Daily Papers

The study of representation universality in AI models reveals growing convergence across domains, modalities, and architectures. However, the practical applications of representation universality remain largely unexplored. We bridge this gap by demonstrating that safety interventions can be transferred between models through learned mappings of their shared activation spaces. We demonstrate this approach on two well-established AI safety tasks: backdoor removal and refusal of harmful prompts, showing successful transfer of steering vectors that alter the models' outputs in a predictable way. Additionally, we propose a new task, corrupted capabilities, where models are fine-tuned to embed knowledge tied to a backdoor. This tests their ability to separate useful skills from backdoors, reflecting real-world challenges. Extensive experiments across Llama, Qwen and Gemma model families show that our method enables using smaller models to efficiently align larger ones. Furthermore, we demonstrate that autoencoder mappings between base and fine-tuned models can serve as reliable ``lightweight safety switches", allowing dynamic toggling between model behaviors.

The multilayer perceptron (MLP), a fundamental paradigm in current artificial intelligence, is widely applied in fields such as computer vision and natural language processing. However, the recently proposed Kolmogorov-Arnold Network (KAN), based on nonlinear additive connections, has been proven to achieve performance comparable to MLPs with significantly fewer parameters. Despite this potential, the use of a single activation function space results in reduced performance of KAN and related works across different tasks. To address this issue, we propose an activation space Selectable KAN (S-KAN). S-KAN employs an adaptive strategy to choose the possible activation mode for data at each feedforward KAN node. Our approach outperforms baseline methods in seven representative function fitting tasks and significantly surpasses MLP methods with the same level of parameters. Furthermore, we extend the structure of S-KAN and propose an activation space selectable Convolutional KAN (S-ConvKAN), which achieves leading results on four general image classification datasets. Our method mitigates the performance variability of the original KAN across different tasks and demonstrates through extensive experiments that feedforward KANs with selectable activations can achieve or even exceed the performance of MLP-based methods. This work contributes to the understanding of the data-centric design of new AI paradigms and provides a foundational reference for innovations in KAN-based network architectures.

Model merging, a method that combines the parameters and embeddings of multiple fine-tuned large language models (LLMs), offers a promising approach to enhance model performance across various tasks while maintaining computational efficiency. This paper introduces Activation-Informed Merging (AIM), a technique that integrates the information from the activation space of LLMs into the merging process to improve performance and robustness. AIM is designed as a flexible, complementary solution that is applicable to any existing merging method. It aims to preserve critical weights from the base model, drawing on principles from continual learning~(CL) and model compression. Utilizing a task-agnostic calibration set, AIM selectively prioritizes essential weights during merging. We empirically demonstrate that AIM significantly enhances the performance of merged models across multiple benchmarks. Our findings suggest that considering the activation-space information can provide substantial advancements in the model merging strategies for LLMs with up to 40\% increase in benchmark performance.

Existing parameter-efficient fine-tuning (PEFT) methods primarily adapt weight matrices while keeping activation functions fixed. We introduce NoRA, the first PEFT framework that directly adapts nonlinear activation functions in pretrained transformer-based models. NoRA replaces fixed activations with learnable rational functions and applies structured low-rank updates to numerator and denominator coefficients, with a group-wise design that localizes adaptation and improves stability at minimal cost. On vision transformers trained on CIFAR-10 and CIFAR-100, NoRA matches or exceeds full fine-tuning while updating only 0.4\% of parameters (0.02M), achieving accuracy gains of +0.17\% and +0.27\%. When combined with LoRA (NoRA++), it outperforms LoRA and DoRA under matched training budgets by adding fewer trainable parameters. On LLaMA3-8B instruction tuning, NoRA++ consistently improves generation quality, yielding average MMLU gains of +0.3\%--0.8\%, including +1.6\% on STEM (Alpaca) and +1.3\% on OpenOrca. We further show that NoRA constrains adaptation to a low-dimensional functional subspace, implicitly regularizing update magnitude and direction. These results establish activation-space tuning as a complementary and highly parameter-efficient alternative to weight-based PEFT, positioning activation functions as first-class objects for model adaptation.

We introduce Contrastive Activation Addition (CAA), an innovative method for steering language models by modifying activations during their forward passes. CAA computes ``steering vectors'' by averaging the difference in residual stream activations between pairs of positive and negative examples of a particular behavior such as factual versus hallucinatory responses. During inference, these steering vectors are added at all token positions after the user's prompt with either a positive or negative coefficient, allowing precise control over the degree of the targeted behavior. We evaluate CAA's effectiveness on Llama 2 Chat using both multiple-choice behavioral question datasets and open-ended generation tasks. We demonstrate that CAA significantly alters model behavior, outperforms traditional methods like finetuning and few-shot prompting, and minimally reduces capabilities. Moreover, by employing various activation space interpretation methods, we gain deeper insights into CAA's mechanisms. CAA both accurately steers model outputs and also sheds light on how high-level concepts are represented in Large Language Models (LLMs).

Large language models (LLMs) excel at complex reasoning when they include intermediate steps, known as "chains of thought" (CoTs). However, these rationales are often overly verbose, even for simple problems, leading to wasted context, increased latency, and higher energy consumption. We observe that verbose, English-heavy CoTs and concise, math-centric CoTs occupy distinct regions in the model's residual-stream activation space. By extracting and injecting a "steering vector" to transition between these modes, we can reliably shift generation toward more concise reasoning, effectively compressing CoTs without retraining. We formalize this approach as Activation-Steered Compression (ASC), an inference-time technique that shortens reasoning traces by directly modifying hidden representations. In addition, we provide a theoretical analysis of the impact of ASC on the output distribution, derived from a closed-form KL-divergence-bounded constraint to regulate steering strength. Using only 100 paired verbose and concise examples, ASC achieves up to 67.43% reduction in CoT length on MATH500 and GSM8K datasets, while maintaining accuracy across 7B, 8B, and 32B parameter models. As a training-free method, ASC introduces negligible runtime overhead and, on MATH500, delivers an average 2.73x speedup in end-to-end reasoning wall-clock time on an 8B model. This makes ASC a practical and efficient tool for streamlining the deployment of reasoning-capable LLMs in latency- or cost-sensitive settings. The code is available at: https://github.com/ArminAzizi98/ASC

Retrofitting large language models (LLMs) with new behaviors typically requires full finetuning or distillation-costly steps that must be repeated for every architecture. In this work, we introduce Command-V, a backpropagation-free behavior transfer method that copies an existing residual activation adapter from a donor model and pastes its effect into a recipient model. Command-V profiles layer activations on a small prompt set, derives linear converters between corresponding layers, and applies the donor intervention in the recipient's activation space. This process does not require access to the original training data and needs minimal compute. In three case studies-safety-refusal enhancement, jailbreak facilitation, and automatic chain-of-thought reasoning--Command-V matches or exceeds the performance of direct finetuning while using orders of magnitude less compute. Our code and data are accessible at https://github.com/GithuBarry/Command-V/.

Large Language Models (LLMs) rely on safety alignment to produce socially acceptable responses. This is typically achieved through instruction tuning and reinforcement learning from human feedback. However, this alignment is known to be brittle: further fine-tuning, even on benign or lightly contaminated data, can degrade safety and reintroduce harmful behaviors. A growing body of work suggests that alignment may correspond to identifiable geometric directions in weight space, forming subspaces that could, in principle, be isolated or preserved to defend against misalignment. In this work, we conduct a comprehensive empirical study of this geometric perspective. We examine whether safety-relevant behavior is concentrated in specific subspaces, whether it can be separated from general-purpose learning, and whether harmfulness arises from distinguishable patterns in internal representations. Across both parameter and activation space, our findings are consistent: subspaces that amplify safe behaviors also amplify unsafe ones, and prompts with different safety implications activate overlapping representations. We find no evidence of a subspace that selectively governs safety. These results challenge the assumption that alignment is geometrically localized. Rather than residing in distinct directions, safety appears to emerge from entangled, high-impact components of the model's broader learning dynamics. This suggests that subspace-based defenses may face fundamental limitations and underscores the need for alternative strategies to preserve alignment under continued training. We corroborate these findings through multiple experiments on five open-source LLMs. Our code is publicly available at: https://github.com/CERT-Lab/safety-subspaces.

Despite rapid progress in building conversational AI agents, robustness is still largely untested. Small shifts in user behavior, such as being more impatient, incoherent, or skeptical, can cause sharp drops in agent performance, revealing how brittle current AI agents are. Today's benchmarks fail to capture this fragility: agents may perform well under standard evaluations but degrade spectacularly in more realistic and varied settings. We address this robustness testing gap by introducing TraitBasis, a lightweight, model-agnostic method for systematically stress testing AI agents. TraitBasis learns directions in activation space corresponding to steerable user traits (e.g., impatience or incoherence), which can be controlled, scaled, composed, and applied at inference time without any fine-tuning or extra data. Using TraitBasis, we extend tau-Bench to tau-Trait, where user behaviors are altered via controlled trait vectors. We observe on average a 2%-30% performance degradation on tau-Trait across frontier models, highlighting the lack of robustness of current AI agents to variations in user behavior. Together, these results highlight both the critical role of robustness testing and the promise of TraitBasis as a simple, data-efficient, and compositional tool. By powering simulation-driven stress tests and training loops, TraitBasis opens the door to building AI agents that remain reliable in the unpredictable dynamics of real-world human interactions. We have open-sourced tau-Trai across four domains: airline, retail, telecom, and telehealth, so the community can systematically QA their agents under realistic, behaviorally diverse intents and trait scenarios: https://github.com/collinear-ai/tau-trait.

Reasoning models generate chain-of-thought (CoT) tokens before their final output, but how this affects their vulnerability to jailbreak attacks remains unclear. While traditional language models make refusal decisions at the prompt-response boundary, we find evidence that DeepSeek-R1-Distill-Llama-8B makes these decisions within its CoT generation. We identify a linear direction in activation space during CoT token generation that predicts whether the model will refuse or comply -- termed the "caution" direction because it corresponds to cautious reasoning patterns in the generated text. Ablating this direction from model activations increases harmful compliance, effectively jailbreaking the model. We additionally show that intervening only on CoT token activations suffices to control final outputs, and that incorporating this direction into prompt-based attacks improves success rates. Our findings suggest that the chain-of-thought itself is a promising new target for adversarial manipulation in reasoning models. Code available at https://github.com/ky295/reasoning-manipulation

Large Language Models (LLMs) offer extensive knowledge across various domains, but they may inadvertently memorize sensitive, unauthorized, or malicious data, such as personal information in the medical and financial sectors. Machine unlearning methods aim to remove specific information from models after training to address this. However, current approaches require additional model training or struggle to effectively erase particular data points and their associated context due to LLMs' complex, dense, and continuous nature. In this study, we propose a novel amortized unlearning approach using codebook features and Sparse Autoencoders (SAEs). By leveraging a bottleneck to decompose the activation space and regulate information flow, our method efficiently unlearns targeted information while preserving the model's performance on unrelated data. To the best of our knowledge, this is the first work that successfully enables unlearning specific topics with contextual relevance in an LLM, marking a significant step towards real-world applications of machine unlearning.

Large Vision-Language Models (LVLMs) can reason effectively over both textual and visual inputs, but they tend to hallucinate syntactically coherent yet visually ungrounded contents. In this paper, we investigate the internal dynamics of hallucination by examining the tokens logits rankings throughout the generation process, revealing three key patterns in how LVLMs process information: (1) gradual visual information loss -- visually grounded tokens gradually become less favored throughout generation, and (2) early excitation -- semantically meaningful tokens achieve peak activation in the layers earlier than the final layer. (3) hidden genuine information -- visually grounded tokens though not being eventually decided still retain relatively high rankings at inference. Based on these insights, we propose VISTA (Visual Information Steering with Token-logit Augmentation), a training-free inference-time intervention framework that reduces hallucination while promoting genuine information. VISTA works by combining two complementary approaches: reinforcing visual information in activation space and leveraging early layer activations to promote semantically meaningful decoding. Compared to existing methods, VISTA requires no external supervision and is applicable to various decoding strategies. Extensive experiments show that VISTA on average reduces hallucination by abount 40% on evaluated open-ended generation task, and it consistently outperforms existing methods on four benchmarks across four architectures under three decoding strategies.

Large Language Models (LLMs) encode behaviors such as refusal within their activation space, yet identifying these behaviors remains a significant challenge. Existing methods often rely on predefined refusal templates detectable in output tokens or require manual analysis. We introduce COSMIC (Cosine Similarity Metrics for Inversion of Concepts), an automated framework for direction selection that identifies viable steering directions and target layers using cosine similarity - entirely independent of model outputs. COSMIC achieves steering performance comparable to prior methods without requiring assumptions about a model's refusal behavior, such as the presence of specific refusal tokens. It reliably identifies refusal directions in adversarial settings and weakly aligned models, and is capable of steering such models toward safer behavior with minimal increase in false refusals, demonstrating robustness across a wide range of alignment conditions.

Understanding how language models generalize behaviors from their training to a broader deployment distribution is an important problem in AI safety. Betley et al. discovered that fine-tuning GPT-4o on intentionally insecure code causes "emergent misalignment," where models give stereotypically malicious responses to unrelated prompts. We extend this work, demonstrating emergent misalignment across diverse conditions, including reinforcement learning on reasoning models, fine-tuning on various synthetic datasets, and in models without safety training. To investigate the mechanisms behind this generalized misalignment, we apply a "model diffing" approach using sparse autoencoders to compare internal model representations before and after fine-tuning. This approach reveals several "misaligned persona" features in activation space, including a toxic persona feature which most strongly controls emergent misalignment and can be used to predict whether a model will exhibit such behavior. Additionally, we investigate mitigation strategies, discovering that fine-tuning an emergently misaligned model on just a few hundred benign samples efficiently restores alignment.

Sentiment is a pervasive feature in natural language text, yet it is an open question how sentiment is represented within Large Language Models (LLMs). In this study, we reveal that across a range of models, sentiment is represented linearly: a single direction in activation space mostly captures the feature across a range of tasks with one extreme for positive and the other for negative. Through causal interventions, we isolate this direction and show it is causally relevant in both toy tasks and real world datasets such as Stanford Sentiment Treebank. Through this case study we model a thorough investigation of what a single direction means on a broad data distribution. We further uncover the mechanisms that involve this direction, highlighting the roles of a small subset of attention heads and neurons. Finally, we discover a phenomenon which we term the summarization motif: sentiment is not solely represented on emotionally charged words, but is additionally summarized at intermediate positions without inherent sentiment, such as punctuation and names. We show that in Stanford Sentiment Treebank zero-shot classification, 76% of above-chance classification accuracy is lost when ablating the sentiment direction, nearly half of which (36%) is due to ablating the summarized sentiment direction exclusively at comma positions.

In-context Learning (ICL) empowers large language models (LLMs) to adapt to unseen tasks during inference by prefixing a few demonstration examples prior to test queries. Despite its versatility, ICL incurs substantial computational and memory overheads compared to zero-shot learning and is susceptible to the selection and order of demonstration examples. In this work, we introduce Implicit In-context Learning (I2CL), an innovative paradigm that addresses the challenges associated with traditional ICL by absorbing demonstration examples within the activation space. I2CL first generates a condensed vector representation, namely a context vector, from the demonstration examples. It then integrates the context vector during inference by injecting a linear combination of the context vector and query activations into the model's residual streams. Empirical evaluation on nine real-world tasks across three model architectures demonstrates that I2CL achieves few-shot performance with zero-shot cost and exhibits robustness against the variation of demonstration examples. Furthermore, I2CL facilitates a novel representation of "task-ids", enhancing task similarity detection and enabling effective transfer learning. We provide a comprehensive analysis of I2CL, offering deeper insights into its mechanisms and broader implications for ICL. The source code is available at: https://github.com/LzVv123456/I2CL.

Refusal mechanisms in large language models (LLMs) are essential for ensuring safety. Recent research has revealed that refusal behavior can be mediated by a single direction in activation space, enabling targeted interventions to bypass refusals. While this is primarily demonstrated in an English-centric context, appropriate refusal behavior is important for any language, but poorly understood. In this paper, we investigate the refusal behavior in LLMs across 14 languages using PolyRefuse, a multilingual safety dataset created by translating malicious and benign English prompts into these languages. We uncover the surprising cross-lingual universality of the refusal direction: a vector extracted from English can bypass refusals in other languages with near-perfect effectiveness, without any additional fine-tuning. Even more remarkably, refusal directions derived from any safety-aligned language transfer seamlessly to others. We attribute this transferability to the parallelism of refusal vectors across languages in the embedding space and identify the underlying mechanism behind cross-lingual jailbreaks. These findings provide actionable insights for building more robust multilingual safety defenses and pave the way for a deeper mechanistic understanding of cross-lingual vulnerabilities in LLMs.

Large language models interact with users through a simulated 'Assistant' persona. While the Assistant is typically trained to be helpful, harmless, and honest, it sometimes deviates from these ideals. In this paper, we identify directions in the model's activation space-persona vectors-underlying several traits, such as evil, sycophancy, and propensity to hallucinate. We confirm that these vectors can be used to monitor fluctuations in the Assistant's personality at deployment time. We then apply persona vectors to predict and control personality shifts that occur during training. We find that both intended and unintended personality changes after finetuning are strongly correlated with shifts along the relevant persona vectors. These shifts can be mitigated through post-hoc intervention, or avoided in the first place with a new preventative steering method. Moreover, persona vectors can be used to flag training data that will produce undesirable personality changes, both at the dataset level and the individual sample level. Our method for extracting persona vectors is automated and can be applied to any personality trait of interest, given only a natural-language description.

Sparse autoencoders (SAEs) are a useful tool for uncovering human-interpretable features in the activations of large language models (LLMs). While some expect SAEs to find the true underlying features used by a model, our research shows that SAEs trained on the same model and data, differing only in the random seed used to initialize their weights, identify different sets of features. For example, in an SAE with 131K latents trained on a feedforward network in Llama 3 8B, only 30% of the features were shared across different seeds. We observed this phenomenon across multiple layers of three different LLMs, two datasets, and several SAE architectures. While ReLU SAEs trained with the L1 sparsity loss showed greater stability across seeds, SAEs using the state-of-the-art TopK activation function were more seed-dependent, even when controlling for the level of sparsity. Our results suggest that the set of features uncovered by an SAE should be viewed as a pragmatically useful decomposition of activation space, rather than an exhaustive and universal list of features "truly used" by the model.

The Linear Representation Hypothesis (LRH) states that neural networks learn to encode concepts as directions in activation space, and a strong version of the LRH states that models learn only such encodings. In this paper, we present a counterexample to this strong LRH: when trained to repeat an input token sequence, gated recurrent neural networks (RNNs) learn to represent the token at each position with a particular order of magnitude, rather than a direction. These representations have layered features that are impossible to locate in distinct linear subspaces. To show this, we train interventions to predict and manipulate tokens by learning the scaling factor corresponding to each sequence position. These interventions indicate that the smallest RNNs find only this magnitude-based solution, while larger RNNs have linear representations. These findings strongly indicate that interpretability research should not be confined by the LRH.

Recent work has proposed the linear representation hypothesis: that language models perform computation by manipulating one-dimensional representations of concepts ("features") in activation space. In contrast, we explore whether some language model representations may be inherently multi-dimensional. We begin by developing a rigorous definition of irreducible multi-dimensional features based on whether they can be decomposed into either independent or non-co-occurring lower-dimensional features. Motivated by these definitions, we design a scalable method that uses sparse autoencoders to automatically find multi-dimensional features in GPT-2 and Mistral 7B. These auto-discovered features include strikingly interpretable examples, e.g. circular features representing days of the week and months of the year. We identify tasks where these exact circles are used to solve computational problems involving modular arithmetic in days of the week and months of the year. Finally, we provide evidence that these circular features are indeed the fundamental unit of computation in these tasks with intervention experiments on Mistral 7B and Llama 3 8B, and we find further circular representations by breaking down the hidden states for these tasks into interpretable components.

A central goal for mechanistic interpretability has been to identify the right units of analysis in large language models (LLMs) that causally explain their outputs. While early work focused on individual neurons, evidence that neurons often encode multiple concepts has motivated a shift toward analyzing directions in activation space. A key question is how to find directions that capture interpretable features in an unsupervised manner. Current methods rely on dictionary learning with sparse autoencoders (SAEs), commonly trained over residual stream activations to learn directions from scratch. However, SAEs often struggle in causal evaluations and lack intrinsic interpretability, as their learning is not explicitly tied to the computations of the model. Here, we tackle these limitations by directly decomposing MLP activations with semi-nonnegative matrix factorization (SNMF), such that the learned features are (a) sparse linear combinations of co-activated neurons, and (b) mapped to their activating inputs, making them directly interpretable. Experiments on Llama 3.1, Gemma 2 and GPT-2 show that SNMF derived features outperform SAEs and a strong supervised baseline (difference-in-means) on causal steering, while aligning with human-interpretable concepts. Further analysis reveals that specific neuron combinations are reused across semantically-related features, exposing a hierarchical structure in the MLP's activation space. Together, these results position SNMF as a simple and effective tool for identifying interpretable features and dissecting concept representations in LLMs.

Feature visualization, also known as "dreaming", offers insights into vision models by optimizing the inputs to maximize a neuron's activation or other internal component. However, dreaming has not been successfully applied to language models because the input space is discrete. We extend Greedy Coordinate Gradient, a method from the language model adversarial attack literature, to design the Evolutionary Prompt Optimization (EPO) algorithm. EPO optimizes the input prompt to simultaneously maximize the Pareto frontier between a chosen internal feature and prompt fluency, enabling fluent dreaming for language models. We demonstrate dreaming with neurons, output logits and arbitrary directions in activation space. We measure the fluency of the resulting prompts and compare language model dreaming with max-activating dataset examples. Critically, fluent dreaming allows automatically exploring the behavior of model internals in reaction to mildly out-of-distribution prompts. Code for running EPO is available at https://github.com/Confirm-Solutions/dreamy. A companion page demonstrating code usage is at https://confirmlabs.org/posts/dreamy.html

In-Context Learning (ICL) enables Large Language Models (LLMs) to perform tasks by conditioning on input-output examples in the prompt, without requiring any update in model parameters. While widely adopted, it remains unclear whether prompting with multiple examples is the most effective and efficient way to convey task information. In this work, we propose Soft Injection of task embeddings. The task embeddings are constructed only once using few-shot ICL prompts and repeatedly used during inference. Soft injection is performed by softly mixing task embeddings with attention head activations using pre-optimized mixing parameters, referred to as soft head-selection parameters. This method not only allows a desired task to be performed without in-prompt demonstrations but also significantly outperforms existing ICL approaches while reducing memory usage and compute cost at inference time. An extensive evaluation is performed across 57 tasks and 12 LLMs, spanning four model families of sizes from 4B to 70B. Averaged across 57 tasks, our method outperforms 10-shot ICL by 10.2%-14.3% across 12 LLMs. Additional analyses show that our method also serves as an insightful tool for analyzing task-relevant roles of attention heads, revealing that task-relevant head positions selected by our method transfer across similar tasks but not across dissimilar ones -- underscoring the task-specific nature of head functionality. Our soft injection method opens a new paradigm for reducing prompt length and improving task performance by shifting task conditioning from the prompt space to the activation space.

A key goal of current mechanistic interpretability research in NLP is to find linear features (also called "feature vectors") for transformers: directions in activation space corresponding to concepts that are used by a given model in its computation. Present state-of-the-art methods for finding linear features require large amounts of labelled data -- both laborious to acquire and computationally expensive to utilize. In this work, we introduce a novel method, called "observable propagation" (in short: ObsProp), for finding linear features used by transformer language models in computing a given task -- using almost no data. Our paradigm centers on the concept of observables, linear functionals corresponding to given tasks. We then introduce a mathematical theory for the analysis of feature vectors: we provide theoretical motivation for why LayerNorm nonlinearities do not affect the direction of feature vectors; we also introduce a similarity metric between feature vectors called the coupling coefficient which estimates the degree to which one feature's output correlates with another's. We use ObsProp to perform extensive qualitative investigations into several tasks, including gendered occupational bias, political party prediction, and programming language detection. Our results suggest that ObsProp surpasses traditional approaches for finding feature vectors in the low-data regime, and that ObsProp can be used to better understand the mechanisms responsible for bias in large language models. Code for experiments can be found at github.com/jacobdunefsky/ObservablePropagation.

One of the roadblocks to a better understanding of neural networks' internals is polysemanticity, where neurons appear to activate in multiple, semantically distinct contexts. Polysemanticity prevents us from identifying concise, human-understandable explanations for what neural networks are doing internally. One hypothesised cause of polysemanticity is superposition, where neural networks represent more features than they have neurons by assigning features to an overcomplete set of directions in activation space, rather than to individual neurons. Here, we attempt to identify those directions, using sparse autoencoders to reconstruct the internal activations of a language model. These autoencoders learn sets of sparsely activating features that are more interpretable and monosemantic than directions identified by alternative approaches, where interpretability is measured by automated methods. Ablating these features enables precise model editing, for example, by removing capabilities such as pronoun prediction, while disrupting model behaviour less than prior techniques. This work indicates that it is possible to resolve superposition in language models using a scalable, unsupervised method. Our method may serve as a foundation for future mechanistic interpretability work, which we hope will enable greater model transparency and steerability.

Controllable music generation remains a significant challenge, with existing methods often requiring model retraining or introducing audible artifacts. We introduce MusicRFM, a framework that adapts Recursive Feature Machines (RFMs) to enable fine-grained, interpretable control over frozen, pre-trained music models by directly steering their internal activations. RFMs analyze a model's internal gradients to produce interpretable "concept directions", or specific axes in the activation space that correspond to musical attributes like notes or chords. We first train lightweight RFM probes to discover these directions within MusicGen's hidden states; then, during inference, we inject them back into the model to guide the generation process in real-time without per-step optimization. We present advanced mechanisms for this control, including dynamic, time-varying schedules and methods for the simultaneous enforcement of multiple musical properties. Our method successfully navigates the trade-off between control and generation quality: we can increase the accuracy of generating a target musical note from 0.23 to 0.82, while text prompt adherence remains within approximately 0.02 of the unsteered baseline, demonstrating effective control with minimal impact on prompt fidelity. We release code to encourage further exploration on RFMs in the music domain.

Controlling multiple behavioral attributes in large language models (LLMs) at inference time is a challenging problem due to interference between attributes and the limitations of linear steering methods, which assume additive behavior in activation space and require per-attribute tuning. We introduce K-Steering, a unified and flexible approach that trains a single non-linear multi-label classifier on hidden activations and computes intervention directions via gradients at inference time. This avoids linearity assumptions, removes the need for storing and tuning separate attribute vectors, and allows dynamic composition of behaviors without retraining. To evaluate our method, we propose two new benchmarks, ToneBank and DebateMix, targeting compositional behavioral control. Empirical results across 3 model families, validated by both activation-based classifiers and LLM-based judges, demonstrate that K-Steering outperforms strong baselines in accurately steering multiple behaviors.

While transformer models are widely believed to operate in high-dimensional hidden spaces, we show that attention outputs are confined to a surprisingly low-dimensional subspace, where about 60\% of the directions account for 99\% of the variance--a phenomenon that is induced by the attention output projection matrix and consistently observed across diverse model families and datasets. Critically, we find this low-rank structure as a fundamental cause of the prevalent dead feature problem in sparse dictionary learning, where it creates a mismatch between randomly initialized features and the intrinsic geometry of the activation space. Building on this insight, we propose a subspace-constrained training method for sparse autoencoders (SAEs), initializing feature directions into the active subspace of activations. Our approach reduces dead features from 87\% to below 1\% in Attention Output SAEs with 1M features, and can further extend to other sparse dictionary learning methods. Our findings provide both new insights into the geometry of attention and practical tools for improving sparse dictionary learning in large language models.

Sparse autoencoders (SAEs) are used to decompose neural network activations into human-interpretable features. Typically, features learned by a single SAE are used for downstream applications. However, it has recently been shown that SAEs trained with different initial weights can learn different features, demonstrating that a single SAE captures only a limited subset of features that can be extracted from the activation space. Motivated by this limitation, we propose to ensemble multiple SAEs through naive bagging and boosting. Specifically, SAEs trained with different weight initializations are ensembled in naive bagging, whereas SAEs sequentially trained to minimize the residual error are ensembled in boosting. We evaluate our ensemble approaches with three settings of language models and SAE architectures. Our empirical results demonstrate that ensembling SAEs can improve the reconstruction of language model activations, diversity of features, and SAE stability. Furthermore, ensembling SAEs performs better than applying a single SAE on downstream tasks such as concept detection and spurious correlation removal, showing improved practical utility.

Linear State Space Models (SSMs) have demonstrated strong performance in a variety of sequence modeling tasks due to their efficient encoding of the recurrent structure. However, in more comprehensive tasks like language modeling and machine translation, self-attention-based models still outperform SSMs. Hybrid models employing both SSM and self-attention generally show promising performance, but current approaches apply attention modules statically and uniformly to all elements in the input sequences, leading to sub-optimal quality-efficiency trade-offs. In this work, we introduce Sparse Modular Activation (SMA), a general mechanism enabling neural networks to sparsely and dynamically activate sub-modules for sequence elements in a differentiable manner. Through allowing each element to skip non-activated sub-modules, SMA reduces computation and memory consumption at both training and inference stages of sequence modeling. As a specific instantiation of SMA, we design a novel neural architecture, SeqBoat, which employs SMA to sparsely activate a Gated Attention Unit (GAU) based on the state representations learned from an SSM. By constraining the GAU to only conduct local attention on the activated inputs, SeqBoat can achieve linear inference complexity with theoretically infinite attention span, and provide substantially better quality-efficiency trade-off than the chunking-based models. With experiments on a wide range of tasks, including language modeling, speech classification and long-range arena, SeqBoat brings new state-of-the-art results among hybrid models with linear complexity and reveals the amount of attention needed for each task through the learned sparse activation patterns.

Quantifying similarity between neural representations -- e.g. hidden layer activation vectors -- is a perennial problem in deep learning and neuroscience research. Existing methods compare deterministic responses (e.g. artificial networks that lack stochastic layers) or averaged responses (e.g., trial-averaged firing rates in biological data). However, these measures of _deterministic_ representational similarity ignore the scale and geometric structure of noise, both of which play important roles in neural computation. To rectify this, we generalize previously proposed shape metrics (Williams et al. 2021) to quantify differences in _stochastic_ representations. These new distances satisfy the triangle inequality, and thus can be used as a rigorous basis for many supervised and unsupervised analyses. Leveraging this novel framework, we find that the stochastic geometries of neurobiological representations of oriented visual gratings and naturalistic scenes respectively resemble untrained and trained deep network representations. Further, we are able to more accurately predict certain network attributes (e.g. training hyperparameters) from its position in stochastic (versus deterministic) shape space.

We investigate feature universality in large language models (LLMs), a research field that aims to understand how different models similarly represent concepts in the latent spaces of their intermediate layers. Demonstrating feature universality allows discoveries about latent representations to generalize across several models. However, comparing features across LLMs is challenging due to polysemanticity, in which individual neurons often correspond to multiple features rather than distinct ones. This makes it difficult to disentangle and match features across different models. To address this issue, we employ a method known as dictionary learning by using sparse autoencoders (SAEs) to transform LLM activations into more interpretable spaces spanned by neurons corresponding to individual features. After matching feature neurons across models via activation correlation, we apply representational space similarity metrics like Singular Value Canonical Correlation Analysis to analyze these SAE features across different LLMs. Our experiments reveal significant similarities in SAE feature spaces across various LLMs, providing new evidence for feature universality.

It is often useful to compactly summarize important properties of model parameters and training data so that they can be used later without storing and/or iterating over the entire dataset. As a specific case, we consider estimating the Function Space Distance (FSD) over a training set, i.e. the average discrepancy between the outputs of two neural networks. We propose a Linearized Activation Function TRick (LAFTR) and derive an efficient approximation to FSD for ReLU neural networks. The key idea is to approximate the architecture as a linear network with stochastic gating. Despite requiring only one parameter per unit of the network, our approach outcompetes other parametric approximations with larger memory requirements. Applied to continual learning, our parametric approximation is competitive with state-of-the-art nonparametric approximations, which require storing many training examples. Furthermore, we show its efficacy in estimating influence functions accurately and detecting mislabeled examples without expensive iterations over the entire dataset.

A neural network with the widely-used ReLU activation has been shown to partition the sample space into many convex polytopes for prediction. However, the parameterized way a neural network and other machine learning models use to partition the space has imperfections, e.g., the compromised interpretability for complex models, the inflexibility in decision boundary construction due to the generic character of the model, and the risk of being trapped into shortcut solutions. In contrast, although the non-parameterized models can adorably avoid or downplay these issues, they are usually insufficiently powerful either due to over-simplification or the failure to accommodate the manifold structures of data. In this context, we first propose a new type of machine learning models referred to as Manifoldron that directly derives decision boundaries from data and partitions the space via manifold structure discovery. Then, we systematically analyze the key characteristics of the Manifoldron such as manifold characterization capability and its link to neural networks. The experimental results on 4 synthetic examples, 20 public benchmark datasets, and 1 real-world application demonstrate that the proposed Manifoldron performs competitively compared to the mainstream machine learning models. We have shared our code in https://github.com/wdayang/Manifoldron for free download and evaluation.

State Space Models (SSMs) have emerged as an appealing alternative to Transformers for large language models, achieving state-of-the-art accuracy with constant memory complexity which allows for holding longer context lengths than attention-based networks. The superior computational efficiency of SSMs in long sequence modeling positions them favorably over Transformers in many scenarios. However, improving the efficiency of SSMs on request-intensive cloud-serving and resource-limited edge applications is still a formidable task. SSM quantization is a possible solution to this problem, making SSMs more suitable for wide deployment, while still maintaining their accuracy. Quantization is a common technique to reduce the model size and to utilize the low bit-width acceleration features on modern computing units, yet existing quantization techniques are poorly suited for SSMs. Most notably, SSMs have highly sensitive feature maps within the selective scan mechanism (i.e., linear recurrence) and massive outliers in the output activations which are not present in the output of token-mixing in the self-attention modules. To address this issue, we propose a static 8-bit per-tensor SSM quantization method which suppresses the maximum values of the input activations to the selective SSM for finer quantization precision and quantizes the output activations in an outlier-free space with Hadamard transform. Our 8-bit weight-activation quantized Mamba 2.8B SSM benefits from hardware acceleration and achieves a 1.72x lower generation latency on an Nvidia Orin Nano 8G, with only a 0.9% drop in average accuracy on zero-shot tasks. The experiments demonstrate the effectiveness and practical applicability of our approach for deploying SSM-based models of all sizes on both cloud and edge platforms.

Large language models have demonstrated exceptional performance across a wide range of tasks. However, dense models usually suffer from sparse activation, where many activation values tend towards zero (i.e., being inactivated). We argue that this could restrict the efficient exploration of model representation space. To mitigate this issue, we propose Finedeep, a deep-layered fine-grained expert architecture for dense models. Our framework partitions the feed-forward neural network layers of traditional dense models into small experts, arranges them across multiple sub-layers. A novel routing mechanism is proposed to determine each expert's contribution. We conduct extensive experiments across various model sizes, demonstrating that our approach significantly outperforms traditional dense architectures in terms of perplexity and benchmark performance while maintaining a comparable number of parameters and floating-point operations. Moreover, we find that Finedeep achieves optimal results when balancing depth and width, specifically by adjusting the number of expert sub-layers and the number of experts per sub-layer. Empirical results confirm that Finedeep effectively alleviates sparse activation and efficiently utilizes representation capacity in dense models.

State Space Models (SSMs) are emerging as a compelling alternative to Transformers because of their consistent memory usage and high performance. Despite this, scaling up SSMs on cloud services or limited-resource devices is challenging due to their storage requirements and computational power. To overcome this, quantizing SSMs with low bit-width data formats can reduce model size and benefit from hardware acceleration. As SSMs are prone to quantization-induced errors, recent efforts have focused on optimizing a particular model or bit-width for efficiency without sacrificing performance. However, distinct bit-width configurations are essential for different scenarios, like W4A8 for boosting large-batch decoding speed, and W4A16 for enhancing generation speed in short prompt applications for a single user. To this end, we present Quamba2, compatible with W8A8, W4A8, and W4A16 for both Mamba1 and Mamba2 backbones, addressing the growing demand for SSM deployment on various platforms. Based on the channel order preserving and activation persistence of SSMs, we propose an offline approach to quantize inputs of a linear recurrence in 8-bit by sorting and clustering for input x, combined with a per-state-group quantization for input-dependent parameters B and C. To ensure compute-invariance in the SSM output, we rearrange weights offline according to the clustering sequence. The experiments show that Quamba2-8B outperforms several state-of-the-art SSM quantization methods and delivers 1.3times and 3times speed-ups in the pre-filling and generation stages, respectively, while offering 4times memory reduction with only a 1.6% average accuracy drop. The evaluation on MMLU shows the generalizability and robustness of our framework. The code and quantized models will be released at: https://github.com/enyac-group/Quamba.

The residual stream mediates communication between transformer decoder layers via linear reads and writes of non-linear computations. While sparse-dictionary learning-based methods locate features in the residual stream, and activation patching methods discover circuits within the model, the mechanism by which features flow through the residual stream remains understudied. Understanding this dynamic can better inform jailbreaking protections, enable early detection of model mistakes, and their correction. In this work, we propose Activation Transport Operators (ATO), linear maps from upstream to downstream residuals k layers later, evaluated in feature space using downstream SAE decoder projections. We empirically demonstrate that these operators can determine whether a feature has been linearly transported from a previous layer or synthesised from non-linear layer computation. We develop the notion of transport efficiency, for which we provide an upper bound, and use it to estimate the size of the residual stream subspace that corresponds to linear transport. We empirically demonstrate the linear transport, report transport efficiency and the size of the residual stream's subspace involved in linear transport. This compute-light (no finetuning, <50 GPU-h) method offers practical tools for safety, debugging, and a clearer picture of where computation in LLMs behaves linearly.

Code based Language Models (LMs) have shown very promising results in the field of software engineering with applications such as code refinement, code completion and generation. However, the task of time and space complexity classification from code has not been extensively explored due to a lack of datasets, with prior endeavors being limited to Java. In this project, we aim to address these gaps by creating a labelled dataset of code snippets spanning multiple languages (Python and C++ datasets currently, with C, C#, and JavaScript datasets being released shortly). We find that existing time complexity calculation libraries and tools only apply to a limited number of use-cases. The lack of a well-defined rule based system motivates the application of several recently proposed code-based LMs. We demonstrate the effectiveness of dead code elimination and increasing the maximum sequence length of LMs. In addition to time complexity, we propose to use LMs to find space complexities from code, and to the best of our knowledge, this is the first attempt to do so. Furthermore, we introduce a novel code comprehension task, called cross-language transfer, where we fine-tune the LM on one language and run inference on another. Finally, we visualize the activation of the attention fed classification head of our LMs using Non-negative Matrix Factorization (NMF) to interpret our results.

State space models have shown to be effective at modeling long range dependencies, specially on sequence classification tasks. In this work we focus on autoregressive sequence modeling over English books, Github source code and ArXiv mathematics articles. Based on recent developments around the effectiveness of gated activation functions, we propose a new layer named Gated State Space (GSS) and show that it trains significantly faster than the diagonal version of S4 (i.e. DSS) on TPUs, is fairly competitive with several well-tuned Transformer-based baselines and exhibits zero-shot generalization to longer inputs while being straightforward to implement. Finally, we show that leveraging self-attention to model local dependencies improves the performance of GSS even further.

Implicitly defined, continuous, differentiable signal representations parameterized by neural networks have emerged as a powerful paradigm, offering many possible benefits over conventional representations. However, current network architectures for such implicit neural representations are incapable of modeling signals with fine detail, and fail to represent a signal's spatial and temporal derivatives, despite the fact that these are essential to many physical signals defined implicitly as the solution to partial differential equations. We propose to leverage periodic activation functions for implicit neural representations and demonstrate that these networks, dubbed sinusoidal representation networks or Sirens, are ideally suited for representing complex natural signals and their derivatives. We analyze Siren activation statistics to propose a principled initialization scheme and demonstrate the representation of images, wavefields, video, sound, and their derivatives. Further, we show how Sirens can be leveraged to solve challenging boundary value problems, such as particular Eikonal equations (yielding signed distance functions), the Poisson equation, and the Helmholtz and wave equations. Lastly, we combine Sirens with hypernetworks to learn priors over the space of Siren functions.

Embeddings have become a pivotal means to represent complex, multi-faceted information about entities, concepts, and relationships in a condensed and useful format. Nevertheless, they often preclude direct interpretation. While downstream tasks make use of these compressed representations, meaningful interpretation usually requires visualization using dimensionality reduction or specialized machine learning interpretability methods. This paper addresses the challenge of making such embeddings more interpretable and broadly useful, by employing Large Language Models (LLMs) to directly interact with embeddings -- transforming abstract vectors into understandable narratives. By injecting embeddings into LLMs, we enable querying and exploration of complex embedding data. We demonstrate our approach on a variety of diverse tasks, including: enhancing concept activation vectors (CAVs), communicating novel embedded entities, and decoding user preferences in recommender systems. Our work couples the immense information potential of embeddings with the interpretative power of LLMs.

Training-free metrics (a.k.a. zero-cost proxies) are widely used to avoid resource-intensive neural network training, especially in Neural Architecture Search (NAS). Recent studies show that existing training-free metrics have several limitations, such as limited correlation and poor generalisation across different search spaces and tasks. Hence, we propose Sample-Wise Activation Patterns and its derivative, SWAP-Score, a novel high-performance training-free metric. It measures the expressivity of networks over a batch of input samples. The SWAP-Score is strongly correlated with ground-truth performance across various search spaces and tasks, outperforming 15 existing training-free metrics on NAS-Bench-101/201/301 and TransNAS-Bench-101. The SWAP-Score can be further enhanced by regularisation, which leads to even higher correlations in cell-based search space and enables model size control during the search. For example, Spearman's rank correlation coefficient between regularised SWAP-Score and CIFAR-100 validation accuracies on NAS-Bench-201 networks is 0.90, significantly higher than 0.80 from the second-best metric, NWOT. When integrated with an evolutionary algorithm for NAS, our SWAP-NAS achieves competitive performance on CIFAR-10 and ImageNet in approximately 6 minutes and 9 minutes of GPU time respectively.

Recent latent-space monitoring techniques have shown promise as defenses against LLM attacks. These defenses act as scanners that seek to detect harmful activations before they lead to undesirable actions. This prompts the question: Can models execute harmful behavior via inconspicuous latent states? Here, we study such obfuscated activations. We show that state-of-the-art latent-space defenses -- including sparse autoencoders, representation probing, and latent OOD detection -- are all vulnerable to obfuscated activations. For example, against probes trained to classify harmfulness, our attacks can often reduce recall from 100% to 0% while retaining a 90% jailbreaking rate. However, obfuscation has limits: we find that on a complex task (writing SQL code), obfuscation reduces model performance. Together, our results demonstrate that neural activations are highly malleable: we can reshape activation patterns in a variety of ways, often while preserving a network's behavior. This poses a fundamental challenge to latent-space defenses.

Generating high-resolution, photo-realistic images has been a long-standing goal in machine learning. Recently, Nguyen et al. (2016) showed one interesting way to synthesize novel images by performing gradient ascent in the latent space of a generator network to maximize the activations of one or multiple neurons in a separate classifier network. In this paper we extend this method by introducing an additional prior on the latent code, improving both sample quality and sample diversity, leading to a state-of-the-art generative model that produces high quality images at higher resolutions (227x227) than previous generative models, and does so for all 1000 ImageNet categories. In addition, we provide a unified probabilistic interpretation of related activation maximization methods and call the general class of models "Plug and Play Generative Networks". PPGNs are composed of 1) a generator network G that is capable of drawing a wide range of image types and 2) a replaceable "condition" network C that tells the generator what to draw. We demonstrate the generation of images conditioned on a class (when C is an ImageNet or MIT Places classification network) and also conditioned on a caption (when C is an image captioning network). Our method also improves the state of the art of Multifaceted Feature Visualization, which generates the set of synthetic inputs that activate a neuron in order to better understand how deep neural networks operate. Finally, we show that our model performs reasonably well at the task of image inpainting. While image models are used in this paper, the approach is modality-agnostic and can be applied to many types of data.

High-resolution images enable neural networks to learn richer visual representations. However, this improved performance comes at the cost of growing computational complexity, hindering their usage in latency-sensitive applications. As not all pixels are equal, skipping computations for less-important regions offers a simple and effective measure to reduce the computation. This, however, is hard to be translated into actual speedup for CNNs since it breaks the regularity of the dense convolution workload. In this paper, we introduce SparseViT that revisits activation sparsity for recent window-based vision transformers (ViTs). As window attentions are naturally batched over blocks, actual speedup with window activation pruning becomes possible: i.e., ~50% latency reduction with 60% sparsity. Different layers should be assigned with different pruning ratios due to their diverse sensitivities and computational costs. We introduce sparsity-aware adaptation and apply the evolutionary search to efficiently find the optimal layerwise sparsity configuration within the vast search space. SparseViT achieves speedups of 1.5x, 1.4x, and 1.3x compared to its dense counterpart in monocular 3D object detection, 2D instance segmentation, and 2D semantic segmentation, respectively, with negligible to no loss of accuracy.

The classical development of neural networks has primarily focused on learning mappings between finite dimensional Euclidean spaces or finite sets. We propose a generalization of neural networks to learn operators, termed neural operators, that map between infinite dimensional function spaces. We formulate the neural operator as a composition of linear integral operators and nonlinear activation functions. We prove a universal approximation theorem for our proposed neural operator, showing that it can approximate any given nonlinear continuous operator. The proposed neural operators are also discretization-invariant, i.e., they share the same model parameters among different discretization of the underlying function spaces. Furthermore, we introduce four classes of efficient parameterization, viz., graph neural operators, multi-pole graph neural operators, low-rank neural operators, and Fourier neural operators. An important application for neural operators is learning surrogate maps for the solution operators of partial differential equations (PDEs). We consider standard PDEs such as the Burgers, Darcy subsurface flow, and the Navier-Stokes equations, and show that the proposed neural operators have superior performance compared to existing machine learning based methodologies, while being several orders of magnitude faster than conventional PDE solvers.

Normalization layers and activation functions are fundamental components in deep networks and typically co-locate with each other. Here we propose to design them using an automated approach. Instead of designing them separately, we unify them into a single tensor-to-tensor computation graph, and evolve its structure starting from basic mathematical functions. Examples of such mathematical functions are addition, multiplication and statistical moments. The use of low-level mathematical functions, in contrast to the use of high-level modules in mainstream NAS, leads to a highly sparse and large search space which can be challenging for search methods. To address the challenge, we develop efficient rejection protocols to quickly filter out candidate layers that do not work well. We also use multi-objective evolution to optimize each layer's performance across many architectures to prevent overfitting. Our method leads to the discovery of EvoNorms, a set of new normalization-activation layers with novel, and sometimes surprising structures that go beyond existing design patterns. For example, some EvoNorms do not assume that normalization and activation functions must be applied sequentially, nor need to center the feature maps, nor require explicit activation functions. Our experiments show that EvoNorms work well on image classification models including ResNets, MobileNets and EfficientNets but also transfer well to Mask R-CNN with FPN/SpineNet for instance segmentation and to BigGAN for image synthesis, outperforming BatchNorm and GroupNorm based layers in many cases.

Large Language Models (LLMs) often generate inconsistent responses when prompted with semantically equivalent paraphrased inputs. Recently, activation steering, a technique that modulates LLMs' behaviours by adjusting their latent representations during inference time, has been explored to improve the semantic consistency of LLMs. However, these methods typically operate at the model component level, such as layer hidden states or attention head outputs. They face a challenge due to the ``polysemanticity issue'', where the model components of LLMs typically encode multiple entangled features, making precise steering difficult. To address this challenge, we drill down to feature-level representations and propose LF-Steering, a novel activation steering approach to precisely identify latent feature representations responsible for semantic inconsistency. More specifically, our method maps the hidden states of the relevant transformer layer into a sparsely activated, high-dimensional feature space based on a sparse autoencoder (SAE), ensuring model steering based on decoupled feature representations with minimal interference. Comprehensive experiments on NLU and NLG datasets demonstrate the effectiveness of our method in enhancing semantic consistency, resulting in significant performance gains for various NLU and NLG tasks.

Several variants of the Long Short-Term Memory (LSTM) architecture for recurrent neural networks have been proposed since its inception in 1995. In recent years, these networks have become the state-of-the-art models for a variety of machine learning problems. This has led to a renewed interest in understanding the role and utility of various computational components of typical LSTM variants. In this paper, we present the first large-scale analysis of eight LSTM variants on three representative tasks: speech recognition, handwriting recognition, and polyphonic music modeling. The hyperparameters of all LSTM variants for each task were optimized separately using random search, and their importance was assessed using the powerful fANOVA framework. In total, we summarize the results of 5400 experimental runs (approx 15 years of CPU time), which makes our study the largest of its kind on LSTM networks. Our results show that none of the variants can improve upon the standard LSTM architecture significantly, and demonstrate the forget gate and the output activation function to be its most critical components. We further observe that the studied hyperparameters are virtually independent and derive guidelines for their efficient adjustment.

Weakly supervised semantic segmentation (WSSS) typically utilizes limited semantic annotations to obtain initial Class Activation Maps (CAMs). However, due to the inadequate coupling between class activation responses and semantic information in high-dimensional space, the CAM is prone to object co-occurrence or under-activation, resulting in inferior recognition accuracy. To tackle this issue, we propose DOEI, Dual Optimization of Embedding Information, a novel approach that reconstructs embedding representations through semantic-aware attention weight matrices to optimize the expression capability of embedding information. Specifically, DOEI amplifies tokens with high confidence and suppresses those with low confidence during the class-to-patch interaction. This alignment of activation responses with semantic information strengthens the propagation and decoupling of target features, enabling the generated embeddings to more accurately represent target features in high-level semantic space. In addition, we propose a hybrid-feature alignment module in DOEI that combines RGB values, embedding-guided features, and self-attention weights to increase the reliability of candidate tokens. Comprehensive experiments show that DOEI is an effective plug-and-play module that empowers state-of-the-art visual transformer-based WSSS models to significantly improve the quality of CAMs and segmentation performance on popular benchmarks, including PASCAL VOC (+3.6%, +1.5%, +1.2% mIoU) and MS COCO (+1.2%, +1.6% mIoU). Code will be available at https://github.com/AIGeeksGroup/DOEI.

The multilingual neural machine translation (MNMT) enables arbitrary translations across multiple languages by training a model with limited parameters using parallel data only. However, the performance of such MNMT models still lags behind that of large language models (LLMs), limiting their practicality. In this work, we address this limitation by introducing registering to achieve the new state-of-the-art of decoder-only MNMT models. Specifically, we insert a set of artificial tokens specifying the target language, called registers, into the input sequence between the source and target tokens. By modifying the attention mask, the target token generation only pays attention to the activation of registers, representing the source tokens in the target language space. Experiments on EC-40, a large-scale benchmark, show that our method outperforms related methods driven by optimizing multilingual representations. We further scale up and collect 9.3 billion sentence pairs across 24 languages from public datasets to pre-train two models, namely MITRE (multilingual translation with registers). One of them, MITRE-913M, outperforms NLLB-3.3B, achieves comparable performance with commercial LLMs, and shows strong adaptability in fine-tuning. Finally, we open-source our models to facilitate further research and development in MNMT: https://github.com/zhiqu22/mitre.

Chain-of-Thought (CoT) enhances Large Language Models (LLMs) by enabling step-by-step reasoning in natural language. However, the language space may be suboptimal for reasoning. While implicit CoT methods attempt to enable reasoning without explicit CoT tokens, they have consistently lagged behind explicit CoT method in task performance. We propose CODI (Continuous Chain-of-Thought via Self-Distillation), a novel framework that distills CoT into a continuous space, where a shared model acts as both teacher and student, jointly learning explicit and implicit CoT while aligning their hidden activation on the token generating the final answer. CODI is the first implicit CoT method to match explicit CoT's performance on GSM8k while achieving 3.1x compression, surpassing the previous state-of-the-art by 28.2% in accuracy. Furthermore, CODI demonstrates scalability, robustness, and generalizability to more complex CoT datasets. Additionally, CODI retains interpretability by decoding its continuous thoughts, making its reasoning process transparent. Our findings establish implicit CoT as not only a more efficient but a powerful alternative to explicit CoT.

Remote sensing image classification forms the foundation of various understanding tasks, serving a crucial function in remote sensing image interpretation. The recent advancements of Convolutional Neural Networks (CNNs) and Transformers have markedly enhanced classification accuracy. Nonetheless, remote sensing scene classification remains a significant challenge, especially given the complexity and diversity of remote sensing scenarios and the variability of spatiotemporal resolutions. The capacity for whole-image understanding can provide more precise semantic cues for scene discrimination. In this paper, we introduce RSMamba, a novel architecture for remote sensing image classification. RSMamba is based on the State Space Model (SSM) and incorporates an efficient, hardware-aware design known as the Mamba. It integrates the advantages of both a global receptive field and linear modeling complexity. To overcome the limitation of the vanilla Mamba, which can only model causal sequences and is not adaptable to two-dimensional image data, we propose a dynamic multi-path activation mechanism to augment Mamba's capacity to model non-causal data. Notably, RSMamba maintains the inherent modeling mechanism of the vanilla Mamba, yet exhibits superior performance across multiple remote sensing image classification datasets. This indicates that RSMamba holds significant potential to function as the backbone of future visual foundation models. The code will be available at https://github.com/KyanChen/RSMamba.

Deep neural networks (DNNs) are increasingly being deployed in safety-critical systems such as personal healthcare devices and self-driving cars. In such DNN-based systems, error resilience is a top priority since faults in DNN inference could lead to mispredictions and safety hazards. For latency-critical DNN inference on resource-constrained edge devices, it is nontrivial to apply conventional redundancy-based fault tolerance techniques. In this paper, we propose FitAct, a low-cost approach to enhance the error resilience of DNNs by deploying fine-grained post-trainable activation functions. The main idea is to precisely bound the activation value of each individual neuron via neuron-wise bounded activation functions so that it could prevent fault propagation in the network. To avoid complex DNN model re-training, we propose to decouple the accuracy training and resilience training and develop a lightweight post-training phase to learn these activation functions with precise bound values. Experimental results on widely used DNN models such as AlexNet, VGG16, and ResNet50 demonstrate that FitAct outperforms state-of-the-art studies such as Clip-Act and Ranger in enhancing the DNN error resilience for a wide range of fault rates while adding manageable runtime and memory space overheads.

The reference-based object segmentation tasks, namely referring image segmentation (RIS), few-shot image segmentation (FSS), referring video object segmentation (RVOS), and video object segmentation (VOS), aim to segment a specific object by utilizing either language or annotated masks as references. Despite significant progress in each respective field, current methods are task-specifically designed and developed in different directions, which hinders the activation of multi-task capabilities for these tasks. In this work, we end the current fragmented situation and propose UniRef++ to unify the four reference-based object segmentation tasks with a single architecture. At the heart of our approach is the proposed UniFusion module which performs multiway-fusion for handling different tasks with respect to their specified references. And a unified Transformer architecture is then adopted for achieving instance-level segmentation. With the unified designs, UniRef++ can be jointly trained on a broad range of benchmarks and can flexibly complete multiple tasks at run-time by specifying the corresponding references. We evaluate our unified models on various benchmarks. Extensive experimental results indicate that our proposed UniRef++ achieves state-of-the-art performance on RIS and RVOS, and performs competitively on FSS and VOS with a parameter-shared network. Moreover, we showcase that the proposed UniFusion module could be easily incorporated into the current advanced foundation model SAM and obtain satisfactory results with parameter-efficient finetuning. Codes and models are available at https://github.com/FoundationVision/UniRef.

The input space of a neural network with ReLU-like activations is partitioned into multiple linear regions, each corresponding to a specific activation pattern of the included ReLU-like activations. We demonstrate that this partition exhibits the following encoding properties across a variety of deep learning models: (1) {\it determinism}: almost every linear region contains at most one training example. We can therefore represent almost every training example by a unique activation pattern, which is parameterized by a {\it neural code}; and (2) {\it categorization}: according to the neural code, simple algorithms, such as K-Means, K-NN, and logistic regression, can achieve fairly good performance on both training and test data. These encoding properties surprisingly suggest that {\it normal neural networks well-trained for classification behave as hash encoders without any extra efforts.} In addition, the encoding properties exhibit variability in different scenarios. {Further experiments demonstrate that {\it model size}, {\it training time}, {\it training sample size}, {\it regularization}, and {\it label noise} contribute in shaping the encoding properties, while the impacts of the first three are dominant.} We then define an {\it activation hash phase chart} to represent the space expanded by {model size}, training time, training sample size, and the encoding properties, which is divided into three canonical regions: {\it under-expressive regime}, {\it critically-expressive regime}, and {\it sufficiently-expressive regime}. The source code package is available at https://github.com/LeavesLei/activation-code.

Activation functions are fundamental elements of deep learning architectures as they significantly influence training dynamics. ReLU, while widely used, is prone to the dying neuron problem, which has been mitigated by variants such as LeakyReLU, PReLU, and ELU that better handle negative neuron outputs. Recently, self-gated activations like GELU and Swish have emerged as state-of-the-art alternatives, leveraging their smoothness to ensure stable gradient flow and prevent neuron inactivity. In this work, we introduce the Gompertz Linear Unit (GoLU), a novel self-gated activation function defined as GoLU(x) = x , Gompertz(x), where Gompertz(x) = e^{-e^{-x}}. The GoLU activation leverages the asymmetry in the Gompertz function to reduce variance in the latent space more effectively compared to GELU and Swish, while preserving robust gradient flow. Extensive experiments across diverse tasks, including Image Classification, Language Modeling, Semantic Segmentation, Object Detection, Instance Segmentation, and Diffusion, highlight GoLU's superior performance relative to state-of-the-art activation functions, establishing GoLU as a robust alternative to existing activation functions.

We prove rich algebraic structures of the solution space for 2-layer neural networks with quadratic activation and L_2 loss, trained on reasoning tasks in Abelian group (e.g., modular addition). Such a rich structure enables analytical construction of global optimal solutions from partial solutions that only satisfy part of the loss, despite its high nonlinearity. We coin the framework as CoGO (Composing Global Optimizers). Specifically, we show that the weight space over different numbers of hidden nodes of the 2-layer network is equipped with a semi-ring algebraic structure, and the loss function to be optimized consists of monomial potentials, which are ring homomorphism, allowing partial solutions to be composed into global ones by ring addition and multiplication. Our experiments show that around 95% of the solutions obtained by gradient descent match exactly our theoretical constructions. Although the global optimizers constructed only required a small number of hidden nodes, our analysis on gradient dynamics shows that over-parameterization asymptotically decouples training dynamics and is beneficial. We further show that training dynamics favors simpler solutions under weight decay, and thus high-order global optimizers such as perfect memorization are unfavorable.

Implicit neural representations (INRs) have arisen as useful methods for representing signals on Euclidean domains. By parameterizing an image as a multilayer perceptron (MLP) on Euclidean space, INRs effectively represent signals in a way that couples spatial and spectral features of the signal that is not obvious in the usual discrete representation, paving the way for continuous signal processing and machine learning approaches that were not previously possible. Although INRs using sinusoidal activation functions have been studied in terms of Fourier theory, recent works have shown the advantage of using wavelets instead of sinusoids as activation functions, due to their ability to simultaneously localize in both frequency and space. In this work, we approach such INRs and demonstrate how they resolve high-frequency features of signals from coarse approximations done in the first layer of the MLP. This leads to multiple prescriptions for the design of INR architectures, including the use of complex wavelets, decoupling of low and band-pass approximations, and initialization schemes based on the singularities of the desired signal.

Few neural architectures lend themselves to provable learning with gradient based methods. One popular model is the single-index model, in which labels are produced by composing an unknown linear projection with a possibly unknown scalar link function. Learning this model with SGD is relatively well-understood, whereby the so-called information exponent of the link function governs a polynomial sample complexity rate. However, extending this analysis to deeper or more complicated architectures remains challenging. In this work, we consider single index learning in the setting of symmetric neural networks. Under analytic assumptions on the activation and maximum degree assumptions on the link function, we prove that gradient flow recovers the hidden planted direction, represented as a finitely supported vector in the feature space of power sum polynomials. We characterize a notion of information exponent adapted to our setting that controls the efficiency of learning.

Adversarial training is a widely used strategy for making neural networks resistant to adversarial perturbations. For a neural network of width m, n input training data in d dimension, it takes Omega(mnd) time cost per training iteration for the forward and backward computation. In this paper we analyze the convergence guarantee of adversarial training procedure on a two-layer neural network with shifted ReLU activation, and shows that only o(m) neurons will be activated for each input data per iteration. Furthermore, we develop an algorithm for adversarial training with time cost o(m n d) per iteration by applying half-space reporting data structure.

Deep learning models have become increasingly useful in many different industries. On the domain of image classification, convolutional neural networks proved the ability to learn robust features for the closed set problem, as shown in many different datasets, such as MNIST FASHIONMNIST, CIFAR10, CIFAR100, and IMAGENET. These approaches use deep neural networks with dense layers with softmax activation functions in order to learn features that can separate classes in a latent space. However, this traditional approach is not useful for identifying classes unseen on the training set, known as the open set problem. A similar problem occurs in scenarios involving learning on small data. To tackle both problems, few-shot learning has been proposed. In particular, metric learning learns features that obey constraints of a metric distance in the latent space in order to perform classification. However, while this approach proves to be useful for the open set problem, current implementation requires pair-wise training, where both positive and negative examples of similar images are presented during the training phase, which limits the applicability of these approaches in large data or large class scenarios given the combinatorial nature of the possible inputs.In this paper, we present a constraint-based approach applied to the representations in the latent space under the normalized softmax loss, proposed by[18]. We experimentally validate the proposed approach for the classification of unseen classes on different datasets using both metric learning and the normalized softmax loss, on disjoint and joint scenarios. Our results show that not only our proposed strategy can be efficiently trained on larger set of classes, as it does not require pairwise learning, but also present better classification results than the metric learning strategies surpassing its accuracy by a significant margin.

Sparse Mixtures of Experts (SMoE) scales model capacity without significant increases in training and inference costs, but exhibits the following two issues: (1) Low expert activation, where only a small subset of experts are activated for optimization. (2) Lacking fine-grained analytical capabilities for multiple semantic concepts within individual tokens. We propose Multi-Head Mixture-of-Experts (MH-MoE), which employs a multi-head mechanism to split each token into multiple sub-tokens. These sub-tokens are then assigned to and processed by a diverse set of experts in parallel, and seamlessly reintegrated into the original token form. The multi-head mechanism enables the model to collectively attend to information from various representation spaces within different experts, while significantly enhances expert activation, thus deepens context understanding and alleviate overfitting. Moreover, our MH-MoE is straightforward to implement and decouples from other SMoE optimization methods, making it easy to integrate with other SMoE models for enhanced performance. Extensive experimental results across three tasks: English-focused language modeling, Multi-lingual language modeling and Masked multi-modality modeling tasks, demonstrate the effectiveness of MH-MoE.

Recent studies have shown that, relative position encoding performs well in selective state space model scanning algorithms, and the architecture that balances SSM and Attention enhances the efficiency and effectiveness of the algorithm, while the sparse activation of the mixture of experts reduces the training cost. I studied the effectiveness of using different position encodings in structured state space dual algorithms, and the more effective SSD-Attn internal and external function mixing method, and designed a more efficient cross domain mixture of experts. I found that the same matrix is very wonderful in different algorithms, which allows us to establish a new hybrid sparse architecture: Cheems. Compared with other hybrid architectures, it is more efficient and more effective in language modeling tasks.

Recent advancements in large reasoning models (LRMs) have significantly enhanced language models' capabilities in complex problem-solving by emulating human-like deliberative thinking. However, these models often exhibit overthinking (i.e., the generation of unnecessarily verbose and redundant content), which hinders efficiency and inflates inference cost. In this work, we explore the representational and behavioral origins of this inefficiency, revealing that LRMs inherently possess the capacity for more concise reasoning. Empirical analyses show that correct reasoning paths vary significantly in length, and the shortest correct responses often suffice, indicating untapped efficiency potential. Exploiting these findings, we propose two lightweight methods to enhance LRM efficiency. First, we introduce Efficiency Steering, a training-free activation steering technique that modulates reasoning behavior via a single direction in the model's representation space. Second, we develop Self-Rewarded Efficiency RL, a reinforcement learning framework that dynamically balances task accuracy and brevity by rewarding concise correct solutions. Extensive experiments on seven LRM backbones across multiple mathematical reasoning benchmarks demonstrate that our methods significantly reduce reasoning length while preserving or improving task performance. Our results highlight that reasoning efficiency can be improved by leveraging and guiding the intrinsic capabilities of existing models in a self-guided manner.

The development of effective explainability tools for Transformers is a crucial pursuit in deep learning research. One of the most promising approaches in this domain is Layer-wise Relevance Propagation (LRP), which propagates relevance scores backward through the network to the input space by redistributing activation values based on predefined rules. However, existing LRP-based methods for Transformer explainability entirely overlook a critical component of the Transformer architecture: its positional encoding (PE), resulting in violation of the conservation property, and the loss of an important and unique type of relevance, which is also associated with structural and positional features. To address this limitation, we reformulate the input space for Transformer explainability as a set of position-token pairs. This allows us to propose specialized theoretically-grounded LRP rules designed to propagate attributions across various positional encoding methods, including Rotary, Learnable, and Absolute PE. Extensive experiments with both fine-tuned classifiers and zero-shot foundation models, such as LLaMA 3, demonstrate that our method significantly outperforms the state-of-the-art in both vision and NLP explainability tasks. Our code is publicly available.

Hotword customization is one of the concerned issues remained in ASR field - it is of value to enable users of ASR systems to customize names of entities, persons and other phrases to obtain better experience. The past few years have seen effective modeling strategies for ASR contextualization developed, but they still exhibit space for improvement about training stability and the invisible activation process. In this paper we propose Semantic-Augmented Contextual-Paraformer (SeACo-Paraformer) a novel NAR based ASR system with flexible and effective hotword customization ability. It possesses the advantages of AED-based model's accuracy, NAR model's efficiency, and explicit customization capacity of superior performance. Through extensive experiments with 50,000 hours of industrial big data, our proposed model outperforms strong baselines in customization. Besides, we explore an efficient way to filter large-scale incoming hotwords for further improvement. The industrial models compared, source codes and two hotword test sets are all open source.

Test-Time Scaling (TTS) enhances the reasoning ability of large language models (LLMs) by allocating additional computation during inference. However, existing approaches primarily rely on output-level sampling while overlooking the role of model architecture. In mainstream Mixture-of-Experts (MoE) LLMs, we observe that varying the number of activated experts yields complementary solution sets with stable accuracy, revealing a new and underexplored source of diversity. Motivated by this observation, we propose Dynamic Experts Search (DES), a TTS strategy that elevates expert activation into a controllable dimension of the search space. DES integrates two key components: (1) Dynamic MoE, which enables direct control of expert counts during inference to generate diverse reasoning trajectories without additional cost; and (2) Expert Configuration Inheritance, which preserves consistent expert counts within a reasoning path while varying them across runs, thereby balancing stability and diversity throughout the search. Extensive experiments across MoE architectures, verifiers and reasoning benchmarks (i.e., math, code and knowledge) demonstrate that DES reliably outperforms TTS baselines, enhancing accuracy and stability without additional cost. These results highlight DES as a practical and scalable form of architecture-aware TTS, illustrating how structural flexibility in modern LLMs can advance reasoning.

Motivated by the paradigm of reservoir computing, we consider randomly initialized controlled ResNets defined as Euler-discretizations of neural controlled differential equations (Neural CDEs), a unified architecture which enconpasses both RNNs and ResNets. We show that in the infinite-width-depth limit and under proper scaling, these architectures converge weakly to Gaussian processes indexed on some spaces of continuous paths and with kernels satisfying certain partial differential equations (PDEs) varying according to the choice of activation function, extending the results of Hayou (2022); Hayou & Yang (2023) to the controlled and homogeneous case. In the special, homogeneous, case where the activation is the identity, we show that the equation reduces to a linear PDE and the limiting kernel agrees with the signature kernel of Salvi et al. (2021a). We name this new family of limiting kernels neural signature kernels. Finally, we show that in the infinite-depth regime, finite-width controlled ResNets converge in distribution to Neural CDEs with random vector fields which, depending on whether the weights are shared across layers, are either time-independent and Gaussian or behave like a matrix-valued Brownian motion.

Transfer learning from huge natural image datasets, fine-tuning of deep neural networks and the use of the corresponding pre-trained networks have become de facto the core of art analysis applications. Nevertheless, the effects of transfer learning are still poorly understood. In this paper, we first use techniques for visualizing the network internal representations in order to provide clues to the understanding of what the network has learned on artistic images. Then, we provide a quantitative analysis of the changes introduced by the learning process thanks to metrics in both the feature and parameter spaces, as well as metrics computed on the set of maximal activation images. These analyses are performed on several variations of the transfer learning procedure. In particular, we observed that the network could specialize some pre-trained filters to the new image modality and also that higher layers tend to concentrate classes. Finally, we have shown that a double fine-tuning involving a medium-size artistic dataset can improve the classification on smaller datasets, even when the task changes.

Interpreting individual neurons or directions in activations space is an important component of mechanistic interpretability. As such, many algorithms have been proposed to automatically produce neuron explanations, but it is often not clear how reliable these explanations are, or which methods produce the best explanations. This can be measured via crowd-sourced evaluations, but they can often be noisy and expensive, leading to unreliable results. In this paper, we carefully analyze the evaluation pipeline and develop a cost-effective and highly accurate crowdsourced evaluation strategy. In contrast to previous human studies that only rate whether the explanation matches the most highly activating inputs, we estimate whether the explanation describes neuron activations across all inputs. To estimate this effectively, we introduce a novel application of importance sampling to determine which inputs are the most valuable to show to raters, leading to around 30x cost reduction compared to uniform sampling. We also analyze the label noise present in crowd-sourced evaluations and propose a Bayesian method to aggregate multiple ratings leading to a further ~5x reduction in number of ratings required for the same accuracy. Finally, we use these methods to conduct a large-scale study comparing the quality of neuron explanations produced by the most popular methods for two different vision models.

Not yet. We present SPACE, a benchmark that systematically evaluates spatial cognition in frontier models. Our benchmark builds on decades of research in cognitive science. It evaluates large-scale mapping abilities that are brought to bear when an organism traverses physical environments, smaller-scale reasoning about object shapes and layouts, and cognitive infrastructure such as spatial attention and memory. For many tasks, we instantiate parallel presentations via text and images, allowing us to benchmark both large language models and large multimodal models. Results suggest that contemporary frontier models fall short of the spatial intelligence of animals, performing near chance level on a number of classic tests of animal cognition.

Unified multi-model representation spaces are the foundation of multimodal understanding and generation. However, the billions of model parameters and catastrophic forgetting problems make it challenging to further enhance pre-trained unified spaces. In this work, we propose FreeBind, an idea that treats multimodal representation spaces as basic units, and freely augments pre-trained unified space by integrating knowledge from extra expert spaces via "space bonds". Specifically, we introduce two kinds of basic space bonds: 1) Space Displacement Bond and 2) Space Combination Bond. Based on these basic bonds, we design Complex Sequential & Parallel Bonds to effectively integrate multiple spaces simultaneously. Benefiting from the modularization concept, we further propose a coarse-to-fine customized inference strategy to flexibly adjust the enhanced unified space for different purposes. Experimentally, we bind ImageBind with extra image-text and audio-text expert spaces, resulting in three main variants: ImageBind++, InternVL_IB, and InternVL_IB++. These resulting spaces outperform ImageBind on 5 audio-image-text downstream tasks across 9 datasets. Moreover, via customized inference, it even surpasses the advanced audio-text and image-text expert spaces.

Can one inject new concepts into an already trained generative model, while respecting its existing structure and knowledge? We propose a new task - domain expansion - to address this. Given a pretrained generator and novel (but related) domains, we expand the generator to jointly model all domains, old and new, harmoniously. First, we note the generator contains a meaningful, pretrained latent space. Is it possible to minimally perturb this hard-earned representation, while maximally representing the new domains? Interestingly, we find that the latent space offers unused, "dormant" directions, which do not affect the output. This provides an opportunity: By "repurposing" these directions, we can represent new domains without perturbing the original representation. In fact, we find that pretrained generators have the capacity to add several - even hundreds - of new domains! Using our expansion method, one "expanded" model can supersede numerous domain-specific models, without expanding the model size. Additionally, a single expanded generator natively supports smooth transitions between domains, as well as composition of domains. Code and project page available at https://yotamnitzan.github.io/domain-expansion/.

Joint space and task space control are the two dominant action modes for controlling robot arms within the robot learning literature. Actions in joint space provide precise control over the robot's pose, but tend to suffer from inefficient training; actions in task space boast data-efficient training but sacrifice the ability to perform tasks in confined spaces due to limited control over the full joint configuration. This work analyses the criteria for designing action spaces for robot manipulation and introduces ER (End-effector Redundancy), a novel action space formulation that, by addressing the redundancies present in the manipulator, aims to combine the advantages of both joint and task spaces, offering fine-grained comprehensive control with overactuated robot arms whilst achieving highly efficient robot learning. We present two implementations of ER, ERAngle (ERA) and ERJoint (ERJ), and we show that ERJ in particular demonstrates superior performance across multiple settings, especially when precise control over the robot configuration is required. We validate our results both in simulated and real robotic environments.

A long standing goal in neuroscience has been to elucidate the functional organization of the brain. Within higher visual cortex, functional accounts have remained relatively coarse, focusing on regions of interest (ROIs) and taking the form of selectivity for broad categories such as faces, places, bodies, food, or words. Because the identification of such ROIs has typically relied on manually assembled stimulus sets consisting of isolated objects in non-ecological contexts, exploring functional organization without robust a priori hypotheses has been challenging. To overcome these limitations, we introduce a data-driven approach in which we synthesize images predicted to activate a given brain region using paired natural images and fMRI recordings, bypassing the need for category-specific stimuli. Our approach -- Brain Diffusion for Visual Exploration ("BrainDiVE") -- builds on recent generative methods by combining large-scale diffusion models with brain-guided image synthesis. Validating our method, we demonstrate the ability to synthesize preferred images with appropriate semantic specificity for well-characterized category-selective ROIs. We then show that BrainDiVE can characterize differences between ROIs selective for the same high-level category. Finally we identify novel functional subdivisions within these ROIs, validated with behavioral data. These results advance our understanding of the fine-grained functional organization of human visual cortex, and provide well-specified constraints for further examination of cortical organization using hypothesis-driven methods.

Sparse autoencoders have recently produced dictionaries of high-dimensional vectors corresponding to the universe of concepts represented by large language models. We find that this concept universe has interesting structure at three levels: 1) The "atomic" small-scale structure contains "crystals" whose faces are parallelograms or trapezoids, generalizing well-known examples such as (man-woman-king-queen). We find that the quality of such parallelograms and associated function vectors improves greatly when projecting out global distractor directions such as word length, which is efficiently done with linear discriminant analysis. 2) The "brain" intermediate-scale structure has significant spatial modularity; for example, math and code features form a "lobe" akin to functional lobes seen in neural fMRI images. We quantify the spatial locality of these lobes with multiple metrics and find that clusters of co-occurring features, at coarse enough scale, also cluster together spatially far more than one would expect if feature geometry were random. 3) The "galaxy" scale large-scale structure of the feature point cloud is not isotropic, but instead has a power law of eigenvalues with steepest slope in middle layers. We also quantify how the clustering entropy depends on the layer.

Graph neural networks aim to learn representations for graph-structured data and show impressive performance, particularly in node classification. Recently, many methods have studied the representations of GNNs from the perspective of optimization goals and spectral graph theory. However, the feature space that dominates representation learning has not been systematically studied in graph neural networks. In this paper, we propose to fill this gap by analyzing the feature space of both spatial and spectral models. We decompose graph neural networks into determined feature spaces and trainable weights, providing the convenience of studying the feature space explicitly using matrix space analysis. In particular, we theoretically find that the feature space tends to be linearly correlated due to repeated aggregations. Motivated by these findings, we propose 1) feature subspaces flattening and 2) structural principal components to expand the feature space. Extensive experiments verify the effectiveness of our proposed more comprehensive feature space, with comparable inference time to the baseline, and demonstrate its efficient convergence capability.

Neural networks have proven to be a highly effective tool for solving complex problems in many areas of life. Recently, their importance and practical usability have further been reinforced with the advent of deep learning. One of the important conditions for the success of neural networks is the choice of an appropriate activation function introducing non-linearity into the model. Many types of these functions have been proposed in the literature in the past, but there is no single comprehensive source containing their exhaustive overview. The absence of this overview, even in our experience, leads to redundancy and the unintentional rediscovery of already existing activation functions. To bridge this gap, our paper presents an extensive survey involving 400 activation functions, which is several times larger in scale than previous surveys. Our comprehensive compilation also references these surveys; however, its main goal is to provide the most comprehensive overview and systematization of previously published activation functions with links to their original sources. The secondary aim is to update the current understanding of this family of functions.

We develop information geometric techniques to understand the representations learned by deep networks when they are trained on different tasks using supervised, meta-, semi-supervised and contrastive learning. We shed light on the following phenomena that relate to the structure of the space of tasks: (1) the manifold of probabilistic models trained on different tasks using different representation learning methods is effectively low-dimensional; (2) supervised learning on one task results in a surprising amount of progress even on seemingly dissimilar tasks; progress on other tasks is larger if the training task has diverse classes; (3) the structure of the space of tasks indicated by our analysis is consistent with parts of the Wordnet phylogenetic tree; (4) episodic meta-learning algorithms and supervised learning traverse different trajectories during training but they fit similar models eventually; (5) contrastive and semi-supervised learning methods traverse trajectories similar to those of supervised learning. We use classification tasks constructed from the CIFAR-10 and Imagenet datasets to study these phenomena.

We investigate the construction of latent spaces through self-supervised learning to support semantically meaningful operations. Analogous to operational amplifiers, these "operational latent spaces" (OpLaS) not only demonstrate semantic structure such as clustering but also support common transformational operations with inherent semantic meaning. Some operational latent spaces are found to have arisen "unintentionally" in the progress toward some (other) self-supervised learning objective, in which unintended but still useful properties are discovered among the relationships of points in the space. Other spaces may be constructed "intentionally" by developers stipulating certain kinds of clustering or transformations intended to produce the desired structure. We focus on the intentional creation of operational latent spaces via self-supervised learning, including the introduction of rotation operators via a novel "FiLMR" layer, which can be used to enable ring-like symmetries found in some musical constructions.

Modern language models can process inputs across diverse languages and modalities. We hypothesize that models acquire this capability through learning a shared representation space across heterogeneous data types (e.g., different languages and modalities), which places semantically similar inputs near one another, even if they are from different modalities/languages. We term this the semantic hub hypothesis, following the hub-and-spoke model from neuroscience (Patterson et al., 2007) which posits that semantic knowledge in the human brain is organized through a transmodal semantic "hub" which integrates information from various modality-specific "spokes" regions. We first show that model representations for semantically equivalent inputs in different languages are similar in the intermediate layers, and that this space can be interpreted using the model's dominant pretraining language via the logit lens. This tendency extends to other data types, including arithmetic expressions, code, and visual/audio inputs. Interventions in the shared representation space in one data type also predictably affect model outputs in other data types, suggesting that this shared representations space is not simply a vestigial byproduct of large-scale training on broad data, but something that is actively utilized by the model during input processing.

Massive activations are scalar values in transformer hidden states that achieve values orders of magnitude larger than typical activations and have been shown to be critical for model functionality. While prior work has characterized these phenomena in fully trained models, the temporal dynamics of their emergence during training remain poorly understood. We present the first comprehensive analysis of massive activation development throughout transformer training, using the Pythia model family as our testbed. Through systematic analysis of various model sizes across multiple training checkpoints, we demonstrate that massive activation emergence follows predictable mathematical patterns that can be accurately modeled using an exponentially-modulated logarithmic function with five key parameters. We develop a machine learning framework to predict these mathematical parameters from architectural specifications alone, achieving high accuracy for steady-state behavior and moderate accuracy for emergence timing and magnitude. These findings enable architects to predict and potentially control key aspects of massive activation emergence through design choices, with significant implications for model stability, training cycle length, interpretability, and optimization. Our findings demonstrate that the emergence of massive activations is governed by model design and can be anticipated, and potentially controlled, before training begins.

The truthfulness of existing explanation methods in authentically elucidating the underlying model's decision-making process has been questioned. Existing methods have deviated from faithfully representing the model, thus susceptible to adversarial attacks. To address this, we propose a novel eXplainable AI (XAI) method called SRD (Sharing Ratio Decomposition), which sincerely reflects the model's inference process, resulting in significantly enhanced robustness in our explanations. Different from the conventional emphasis on the neuronal level, we adopt a vector perspective to consider the intricate nonlinear interactions between filters. We also introduce an interesting observation termed Activation-Pattern-Only Prediction (APOP), letting us emphasize the importance of inactive neurons and redefine relevance encapsulating all relevant information including both active and inactive neurons. Our method, SRD, allows for the recursive decomposition of a Pointwise Feature Vector (PFV), providing a high-resolution Effective Receptive Field (ERF) at any layer.

Mechanistic interpretability aims to understand model behaviors in terms of specific, interpretable features, often hypothesized to manifest as low-dimensional subspaces of activations. Specifically, recent studies have explored subspace interventions (such as activation patching) as a way to simultaneously manipulate model behavior and attribute the features behind it to given subspaces. In this work, we demonstrate that these two aims diverge, potentially leading to an illusory sense of interpretability. Counterintuitively, even if a subspace intervention makes the model's output behave as if the value of a feature was changed, this effect may be achieved by activating a dormant parallel pathway leveraging another subspace that is causally disconnected from model outputs. We demonstrate this phenomenon in a distilled mathematical example, in two real-world domains (the indirect object identification task and factual recall), and present evidence for its prevalence in practice. In the context of factual recall, we further show a link to rank-1 fact editing, providing a mechanistic explanation for previous work observing an inconsistency between fact editing performance and fact localization. However, this does not imply that activation patching of subspaces is intrinsically unfit for interpretability. To contextualize our findings, we also show what a success case looks like in a task (indirect object identification) where prior manual circuit analysis informs an understanding of the location of a feature. We explore the additional evidence needed to argue that a patched subspace is faithful.

A wide range of scientific problems, such as those described by continuous-time dynamical systems and partial differential equations (PDEs), are naturally formulated on function spaces. While function spaces are typically infinite-dimensional, deep learning has predominantly advanced through applications in computer vision and natural language processing that focus on mappings between finite-dimensional spaces. Such fundamental disparities in the nature of the data have limited neural networks from achieving a comparable level of success in scientific applications as seen in other fields. Neural operators are a principled way to generalize neural networks to mappings between function spaces, offering a pathway to replicate deep learning's transformative impact on scientific problems. For instance, neural operators can learn solution operators for entire classes of PDEs, e.g., physical systems with different boundary conditions, coefficient functions, and geometries. A key factor in deep learning's success has been the careful engineering of neural architectures through extensive empirical testing. Translating these neural architectures into neural operators allows operator learning to enjoy these same empirical optimizations. However, prior neural operator architectures have often been introduced as standalone models, not directly derived as extensions of existing neural network architectures. In this paper, we identify and distill the key principles for constructing practical implementations of mappings between infinite-dimensional function spaces. Using these principles, we propose a recipe for converting several popular neural architectures into neural operators with minimal modifications. This paper aims to guide practitioners through this process and details the steps to make neural operators work in practice. Our code can be found at https://github.com/neuraloperator/NNs-to-NOs

Neural architecture search (NAS) finds high performing networks for a given task. Yet the results of NAS are fairly prosaic; they did not e.g. create a shift from convolutional structures to transformers. This is not least because the search spaces in NAS often aren't diverse enough to include such transformations a priori. Instead, for NAS to provide greater potential for fundamental design shifts, we need a novel expressive search space design which is built from more fundamental operations. To this end, we introduce einspace, a search space based on a parameterised probabilistic context-free grammar. Our space is versatile, supporting architectures of various sizes and complexities, while also containing diverse network operations which allow it to model convolutions, attention components and more. It contains many existing competitive architectures, and provides flexibility for discovering new ones. Using this search space, we perform experiments to find novel architectures as well as improvements on existing ones on the diverse Unseen NAS datasets. We show that competitive architectures can be obtained by searching from scratch, and we consistently find large improvements when initialising the search with strong baselines. We believe that this work is an important advancement towards a transformative NAS paradigm where search space expressivity and strategic search initialisation play key roles.

The choice of activation functions in deep networks has a significant effect on the training dynamics and task performance. Currently, the most successful and widely-used activation function is the Rectified Linear Unit (ReLU). Although various hand-designed alternatives to ReLU have been proposed, none have managed to replace it due to inconsistent gains. In this work, we propose to leverage automatic search techniques to discover new activation functions. Using a combination of exhaustive and reinforcement learning-based search, we discover multiple novel activation functions. We verify the effectiveness of the searches by conducting an empirical evaluation with the best discovered activation function. Our experiments show that the best discovered activation function, f(x) = x cdot sigmoid(beta x), which we name Swish, tends to work better than ReLU on deeper models across a number of challenging datasets. For example, simply replacing ReLUs with Swish units improves top-1 classification accuracy on ImageNet by 0.9\% for Mobile NASNet-A and 0.6\% for Inception-ResNet-v2. The simplicity of Swish and its similarity to ReLU make it easy for practitioners to replace ReLUs with Swish units in any neural network.

Reconstructions of visual perception from brain activity have improved tremendously, but the practical utility of such methods has been limited. This is because such models are trained independently per subject where each subject requires dozens of hours of expensive fMRI training data to attain high-quality results. The present work showcases high-quality reconstructions using only 1 hour of fMRI training data. We pretrain our model across 7 subjects and then fine-tune on minimal data from a new subject. Our novel functional alignment procedure linearly maps all brain data to a shared-subject latent space, followed by a shared non-linear mapping to CLIP image space. We then map from CLIP space to pixel space by fine-tuning Stable Diffusion XL to accept CLIP latents as inputs instead of text. This approach improves out-of-subject generalization with limited training data and also attains state-of-the-art image retrieval and reconstruction metrics compared to single-subject approaches. MindEye2 demonstrates how accurate reconstructions of perception are possible from a single visit to the MRI facility. All code is available on GitHub.

The out-of-distribution (OOD) problem generally arises when neural networks encounter data that significantly deviates from the training data distribution, i.e., in-distribution (InD). In this paper, we study the OOD problem from a neuron activation view. We first formulate neuron activation states by considering both the neuron output and its influence on model decisions. Then, to characterize the relationship between neurons and OOD issues, we introduce the neuron activation coverage (NAC) -- a simple measure for neuron behaviors under InD data. Leveraging our NAC, we show that 1) InD and OOD inputs can be largely separated based on the neuron behavior, which significantly eases the OOD detection problem and beats the 21 previous methods over three benchmarks (CIFAR-10, CIFAR-100, and ImageNet-1K). 2) a positive correlation between NAC and model generalization ability consistently holds across architectures and datasets, which enables a NAC-based criterion for evaluating model robustness. Compared to prevalent InD validation criteria, we show that NAC not only can select more robust models, but also has a stronger correlation with OOD test performance.

Large language models (LLMs) can sometimes report the strategies they actually use to solve tasks, but they can also fail to do so. This suggests some degree of metacognition -- the capacity to monitor one's own cognitive processes for subsequent reporting and self-control. Metacognitive abilities enhance AI capabilities but raise safety concerns, as models might obscure their internal processes to evade neural-activation-based oversight mechanisms designed to detect harmful behaviors. Given society's increased reliance on these models, it is critical that we understand the limits of their metacognitive abilities, particularly their ability to monitor their internal activations. To address this, we introduce a neuroscience-inspired neurofeedback paradigm designed to quantify the ability of LLMs to explicitly report and control their activation patterns. By presenting models with sentence-label pairs where labels correspond to sentence-elicited internal activations along specific directions in the neural representation space, we demonstrate that LLMs can learn to report and control these activations. The performance varies with several factors: the number of example pairs provided, the semantic interpretability of the target neural direction, and the variance explained by that direction. These results reveal a "metacognitive space" with dimensionality much lower than the model's neural space, suggesting LLMs can monitor only a subset of their neural mechanisms. Our findings provide empirical evidence quantifying metacognitive capabilities in LLMs, with significant implications for AI safety.

Diffusion models offer impressive controllability for image tasks, primarily through noise predictions that encode task-specific information and classifier-free guidance enabling adjustable scaling. This scaling mechanism implicitly defines a ``scaling space'' whose potential for fine-grained semantic manipulation remains underexplored. We investigate this space, starting with inversion-based editing where the difference between conditional/unconditional noise predictions carries key semantic information. Our core contribution stems from a Fourier analysis of noise predictions, revealing that its low- and high-frequency components evolve differently throughout diffusion. Based on this insight, we introduce FreSca, a straightforward method that applies guidance scaling independently to different frequency bands in the Fourier domain. FreSca demonstrably enhances existing image editing methods without retraining. Excitingly, its effectiveness extends to image understanding tasks such as depth estimation, yielding quantitative gains across multiple datasets.

The performance of deep network learning strongly depends on the choice of the non-linear activation function associated with each neuron. However, deciding on the best activation is non-trivial, and the choice depends on the architecture, hyper-parameters, and even on the dataset. Typically these activations are fixed by hand before training. Here, we demonstrate how to eliminate the reliance on first picking fixed activation functions by using flexible parametric rational functions instead. The resulting Pad\'e Activation Units (PAUs) can both approximate common activation functions and also learn new ones while providing compact representations. Our empirical evidence shows that end-to-end learning deep networks with PAUs can increase the predictive performance. Moreover, PAUs pave the way to approximations with provable robustness. https://github.com/ml-research/pau

We introduce EnerVerse, a comprehensive framework for embodied future space generation specifically designed for robotic manipulation tasks. EnerVerse seamlessly integrates convolutional and bidirectional attention mechanisms for inner-chunk space modeling, ensuring low-level consistency and continuity. Recognizing the inherent redundancy in video data, we propose a sparse memory context combined with a chunkwise unidirectional generative paradigm to enable the generation of infinitely long sequences. To further augment robotic capabilities, we introduce the Free Anchor View (FAV) space, which provides flexible perspectives to enhance observation and analysis. The FAV space mitigates motion modeling ambiguity, removes physical constraints in confined environments, and significantly improves the robot's generalization and adaptability across various tasks and settings. To address the prohibitive costs and labor intensity of acquiring multi-camera observations, we present a data engine pipeline that integrates a generative model with 4D Gaussian Splatting (4DGS). This pipeline leverages the generative model's robust generalization capabilities and the spatial constraints provided by 4DGS, enabling an iterative enhancement of data quality and diversity, thus creating a data flywheel effect that effectively narrows the sim-to-real gap. Finally, our experiments demonstrate that the embodied future space generation prior substantially enhances policy predictive capabilities, resulting in improved overall performance, particularly in long-range robotic manipulation tasks.

Deep sparse networks are widely investigated as a neural network architecture for prediction tasks with high-dimensional sparse features, with which feature interaction selection is a critical component. While previous methods primarily focus on how to search feature interaction in a coarse-grained space, less attention has been given to a finer granularity. In this work, we introduce a hybrid-grained feature interaction selection approach that targets both feature field and feature value for deep sparse networks. To explore such expansive space, we propose a decomposed space which is calculated on the fly. We then develop a selection algorithm called OptFeature, which efficiently selects the feature interaction from both the feature field and the feature value simultaneously. Results from experiments on three large real-world benchmark datasets demonstrate that OptFeature performs well in terms of accuracy and efficiency. Additional studies support the feasibility of our method.

Recently, it has been shown that transformers pre-trained on diverse datasets with multi-episode contexts can generalize to new reinforcement learning tasks in-context. A key limitation of previously proposed models is their reliance on a predefined action space size and structure. The introduction of a new action space often requires data re-collection and model re-training, which can be costly for some applications. In our work, we show that it is possible to mitigate this issue by proposing the Headless-AD model that, despite being trained only once, is capable of generalizing to discrete action spaces of variable size, semantic content and order. By experimenting with Bernoulli and contextual bandits, as well as a gridworld environment, we show that Headless-AD exhibits significant capability to generalize to action spaces it has never encountered, even outperforming specialized models trained for a specific set of actions on several environment configurations.

A central question for neuroscience is how to characterize brain representations of perceptual and cognitive content. An ideal characterization should distinguish different functional regions with robustness to noise and idiosyncrasies of individual brains that do not correspond to computational differences. Previous studies have characterized brain representations by their representational geometry, which is defined by the representational dissimilarity matrix (RDM), a summary statistic that abstracts from the roles of individual neurons (or responses channels) and characterizes the discriminability of stimuli. Here we explore a further step of abstraction: from the geometry to the topology of brain representations. We propose topological representational similarity analysis (tRSA), an extension of representational similarity analysis (RSA) that uses a family of geo-topological summary statistics that generalizes the RDM to characterize the topology while de-emphasizing the geometry. We evaluate this new family of statistics in terms of the sensitivity and specificity for model selection using both simulations and functional MRI (fMRI) data. In the simulations, the ground truth is a data-generating layer representation in a neural network model and the models are the same and other layers in different model instances (trained from different random seeds). In fMRI, the ground truth is a visual area and the models are the same and other areas measured in different subjects. Results show that topology-sensitive characterizations of population codes are robust to noise and interindividual variability and maintain excellent sensitivity to the unique representational signatures of different neural network layers and brain regions.

In deep learning, performance is strongly affected by the choice of architecture and hyperparameters. While there has been extensive work on automatic hyperparameter optimization for simple spaces, complex spaces such as the space of deep architectures remain largely unexplored. As a result, the choice of architecture is done manually by the human expert through a slow trial and error process guided mainly by intuition. In this paper we describe a framework for automatically designing and training deep models. We propose an extensible and modular language that allows the human expert to compactly represent complex search spaces over architectures and their hyperparameters. The resulting search spaces are tree-structured and therefore easy to traverse. Models can be automatically compiled to computational graphs once values for all hyperparameters have been chosen. We can leverage the structure of the search space to introduce different model search algorithms, such as random search, Monte Carlo tree search (MCTS), and sequential model-based optimization (SMBO). We present experiments comparing the different algorithms on CIFAR-10 and show that MCTS and SMBO outperform random search. In addition, these experiments show that our framework can be used effectively for model discovery, as it is possible to describe expressive search spaces and discover competitive models without much effort from the human expert. Code for our framework and experiments has been made publicly available.

The success of artificial neural networks (ANNs) hinges greatly on the judicious selection of an activation function, introducing non-linearity into network and enabling them to model sophisticated relationships in data. However, the search of activation functions has largely relied on empirical knowledge in the past, lacking theoretical guidance, which has hindered the identification of more effective activation functions. In this work, we offer a proper solution to such issue. Firstly, we theoretically demonstrate the existence of the worst activation function with boundary conditions (WAFBC) from the perspective of information entropy. Furthermore, inspired by the Taylor expansion form of information entropy functional, we propose the Entropy-based Activation Function Optimization (EAFO) methodology. EAFO methodology presents a novel perspective for designing static activation functions in deep neural networks and the potential of dynamically optimizing activation during iterative training. Utilizing EAFO methodology, we derive a novel activation function from ReLU, known as Correction Regularized ReLU (CRReLU). Experiments conducted with vision transformer and its variants on CIFAR-10, CIFAR-100 and ImageNet-1K datasets demonstrate the superiority of CRReLU over existing corrections of ReLU. Extensive empirical studies on task of large language model (LLM) fine-tuning, CRReLU exhibits superior performance compared to GELU, suggesting its broader potential for practical applications.

Recent years have witnessed great progress in image restoration thanks to the advancements in modern deep neural networks e.g. Convolutional Neural Network and Transformer. However, existing restoration backbones are usually limited due to the inherent local reductive bias or quadratic computational complexity. Recently, Selective Structured State Space Model e.g., Mamba, has shown great potential for long-range dependencies modeling with linear complexity, but it is still under-explored in low-level computer vision. In this work, we introduce a simple but strong benchmark model, named MambaIR, for image restoration. In detail, we propose the Residual State Space Block as the core component, which employs convolution and channel attention to enhance the capabilities of the vanilla Mamba. In this way, our MambaIR takes advantage of local patch recurrence prior as well as channel interaction to produce restoration-specific feature representation. Extensive experiments demonstrate the superiority of our method, for example, MambaIR outperforms Transformer-based baseline SwinIR by up to 0.36dB, using similar computational cost but with a global receptive field. Code is available at https://github.com/csguoh/MambaIR.

Why do brains have inhibitory connections? Why do deep networks have negative weights? We propose an answer from the perspective of representation capacity. We believe representing functions is the primary role of both (i) the brain in natural intelligence, and (ii) deep networks in artificial intelligence. Our answer to why there are inhibitory/negative weights is: to learn more functions. We prove that, in the absence of negative weights, neural networks with non-decreasing activation functions are not universal approximators. While this may be an intuitive result to some, to the best of our knowledge, there is no formal theory, in either machine learning or neuroscience, that demonstrates why negative weights are crucial in the context of representation capacity. Further, we provide insights on the geometric properties of the representation space that non-negative deep networks cannot represent. We expect these insights will yield a deeper understanding of more sophisticated inductive priors imposed on the distribution of weights that lead to more efficient biological and machine learning.

Task arithmetic has recently emerged as a cost-effective and scalable approach to edit pre-trained models directly in weight space: By adding the fine-tuned weights of different tasks, the model's performance can be improved on these tasks, while negating them leads to task forgetting. Yet, our understanding of the effectiveness of task arithmetic and its underlying principles remains limited. We present a comprehensive study of task arithmetic in vision-language models and show that weight disentanglement is the crucial factor that makes it effective. This property arises during pre-training and manifests when distinct directions in weight space govern separate, localized regions in function space associated with the tasks. Notably, we show that fine-tuning models in their tangent space by linearizing them amplifies weight disentanglement. This leads to substantial performance improvements across multiple task arithmetic benchmarks and diverse models. Building on these findings, we provide theoretical and empirical analyses of the neural tangent kernel (NTK) of these models and establish a compelling link between task arithmetic and the spatial localization of the NTK eigenfunctions. Overall, our work uncovers novel insights into the fundamental mechanisms of task arithmetic and offers a more reliable and effective approach to edit pre-trained models through the NTK linearization.

Neural architecture search (NAS) has achieved breakthrough success in a great number of applications in the past few years. It could be time to take a step back and analyze the good and bad aspects in the field of NAS. A variety of algorithms search architectures under different search space. These searched architectures are trained using different setups, e.g., hyper-parameters, data augmentation, regularization. This raises a comparability problem when comparing the performance of various NAS algorithms. NAS-Bench-101 has shown success to alleviate this problem. In this work, we propose an extension to NAS-Bench-101: NAS-Bench-201 with a different search space, results on multiple datasets, and more diagnostic information. NAS-Bench-201 has a fixed search space and provides a unified benchmark for almost any up-to-date NAS algorithms. The design of our search space is inspired from the one used in the most popular cell-based searching algorithms, where a cell is represented as a DAG. Each edge here is associated with an operation selected from a predefined operation set. For it to be applicable for all NAS algorithms, the search space defined in NAS-Bench-201 includes all possible architectures generated by 4 nodes and 5 associated operation options, which results in 15,625 candidates in total. The training log and the performance for each architecture candidate are provided for three datasets. This allows researchers to avoid unnecessary repetitive training for selected candidate and focus solely on the search algorithm itself. The training time saved for every candidate also largely improves the efficiency of many methods. We provide additional diagnostic information such as fine-grained loss and accuracy, which can give inspirations to new designs of NAS algorithms. In further support, we have analyzed it from many aspects and benchmarked 10 recent NAS algorithms.

In the pursuit to understand the intricacies of human brain's visual processing, reconstructing dynamic visual experiences from brain activities emerges as a challenging yet fascinating endeavor. While recent advancements have achieved success in reconstructing static images from non-invasive brain recordings, the domain of translating continuous brain activities into video format remains underexplored. In this work, we introduce NeuroCine, a novel dual-phase framework to targeting the inherent challenges of decoding fMRI data, such as noises, spatial redundancy and temporal lags. This framework proposes spatial masking and temporal interpolation-based augmentation for contrastive learning fMRI representations and a diffusion model enhanced by dependent prior noise for video generation. Tested on a publicly available fMRI dataset, our method shows promising results, outperforming the previous state-of-the-art models by a notable margin of {20.97%}, {31.00%} and {12.30%} respectively on decoding the brain activities of three subjects in the fMRI dataset, as measured by SSIM. Additionally, our attention analysis suggests that the model aligns with existing brain structures and functions, indicating its biological plausibility and interpretability.

Humans and animals have a rich and flexible understanding of the physical world, which enables them to infer the underlying dynamical trajectories of objects and events, plausible future states, and use that to plan and anticipate the consequences of actions. However, the neural mechanisms underlying these computations are unclear. We combine a goal-driven modeling approach with dense neurophysiological data and high-throughput human behavioral readouts to directly impinge on this question. Specifically, we construct and evaluate several classes of sensory-cognitive networks to predict the future state of rich, ethologically-relevant environments, ranging from self-supervised end-to-end models with pixel-wise or object-centric objectives, to models that future predict in the latent space of purely static image-based or dynamic video-based pretrained foundation models. We find strong differentiation across these model classes in their ability to predict neural and behavioral data both within and across diverse environments. In particular, we find that neural responses are currently best predicted by models trained to predict the future state of their environment in the latent space of pretrained foundation models optimized for dynamic scenes in a self-supervised manner. Notably, models that future predict in the latent space of video foundation models that are optimized to support a diverse range of sensorimotor tasks, reasonably match both human behavioral error patterns and neural dynamics across all environmental scenarios that we were able to test. Overall, these findings suggest that the neural mechanisms and behaviors of primate mental simulation are thus far most consistent with being optimized to future predict on dynamic, reusable visual representations that are useful for embodied AI more generally.

Mapping behavioral actions to neural activity is a fundamental goal of neuroscience. As our ability to record large neural and behavioral data increases, there is growing interest in modeling neural dynamics during adaptive behaviors to probe neural representations. In particular, neural latent embeddings can reveal underlying correlates of behavior, yet, we lack non-linear techniques that can explicitly and flexibly leverage joint behavior and neural data. Here, we fill this gap with a novel method, CEBRA, that jointly uses behavioral and neural data in a hypothesis- or discovery-driven manner to produce consistent, high-performance latent spaces. We validate its accuracy and demonstrate our tool's utility for both calcium and electrophysiology datasets, across sensory and motor tasks, and in simple or complex behaviors across species. It allows for single and multi-session datasets to be leveraged for hypothesis testing or can be used label-free. Lastly, we show that CEBRA can be used for the mapping of space, uncovering complex kinematic features, and rapid, high-accuracy decoding of natural movies from visual cortex.

We frame the problem of unifying representations in neural models as one of sparse model recovery and introduce a framework that extends sparse autoencoders (SAEs) to lifted spaces and infinite-dimensional function spaces, enabling mechanistic interpretability of large neural operators (NO). While the Platonic Representation Hypothesis suggests that neural networks converge to similar representations across architectures, the representational properties of neural operators remain underexplored despite their growing importance in scientific computing. We compare the inference and training dynamics of SAEs, lifted-SAE, and SAE neural operators. We highlight how lifting and operator modules introduce beneficial inductive biases, enabling faster recovery, improved recovery of smooth concepts, and robust inference across varying resolutions, a property unique to neural operators.

Activation sparsity improves compute efficiency and resource utilization in sparsity-aware neural network accelerators. As the predominant operation in DNNs is multiply-accumulate (MAC) of activations with weights to compute inner products, skipping operations where (at least) one of the two operands is zero can make inference more efficient in terms of latency and power. Spatial sparsification of activations is a popular topic in DNN literature and several methods have already been established to bias a DNN for it. On the other hand, temporal sparsity is an inherent feature of bio-inspired spiking neural networks (SNNs), which neuromorphic processing exploits for hardware efficiency. Introducing and exploiting spatio-temporal sparsity, is a topic much less explored in DNN literature, but in perfect resonance with the trend in DNN, to shift from static signal processing to more streaming signal processing. Towards this goal, in this paper we introduce a new DNN layer (called Delta Activation Layer), whose sole purpose is to promote temporal sparsity of activations during training. A Delta Activation Layer casts temporal sparsity into spatial activation sparsity to be exploited when performing sparse tensor multiplications in hardware. By employing delta inference and ``the usual'' spatial sparsification heuristics during training, the resulting model learns to exploit not only spatial but also temporal activation sparsity (for a given input data distribution). One may use the Delta Activation Layer either during vanilla training or during a refinement phase. We have implemented Delta Activation Layer as an extension of the standard Tensoflow-Keras library, and applied it to train deep neural networks on the Human Action Recognition (UCF101) dataset. We report an almost 3x improvement of activation sparsity, with recoverable loss of model accuracy after longer training.

Multimodal Large Language Models (MLLMs) have achieved remarkable progress in various multimodal tasks. To pursue higher intelligence in space, MLLMs require integrating multiple atomic spatial capabilities to handle complex and dynamic tasks. However, existing benchmarks struggle to comprehensively evaluate the spatial intelligence of common MLLMs from the atomic level to the compositional level. To fill this gap, we present SpaCE-10, a comprehensive benchmark for compositional spatial evaluations. In SpaCE-10, we define 10 atomic spatial capabilities, which are combined to form 8 compositional capabilities. Based on these definitions, we propose a novel hierarchical annotation pipeline to generate high-quality and diverse question-answer (QA) pairs. With over 150+ hours of human expert effort, we obtain over 5k QA pairs for 811 real indoor scenes in SpaCE-10, which covers various evaluation settings like point cloud input and multi-choice QA. We conduct an extensive evaluation of common MLLMs on SpaCE-10 and find that even the most advanced MLLM still lags behind humans by large margins. Through our careful study, we also draw several significant findings that benefit the MLLM community. For example, we reveal that the shortcoming of counting capability greatly limits the compositional spatial capabilities of existing MLLMs. The evaluation code and benchmark datasets are available at https://github.com/Cuzyoung/SpaCE-10.

Recent work has shown that state space models such as Mamba are significantly worse than Transformers on recall-based tasks due to the fact that their state size is constant with respect to their input sequence length. But in practice, state space models have fairly large state sizes, and we conjecture that they should be able to perform much better at these tasks than previously reported. We investigate whether their poor copying and recall performance could be due in part to training difficulties rather than fundamental capacity constraints. Based on observations of their "attention" maps, we propose a structured initialization technique that allows state space layers to more readily mimic attention. Across a variety of architecture settings, our initialization makes it substantially easier for Mamba to learn to copy and do associative recall from scratch.

Denoising Diffusion Models (DDMs) have emerged as a strong competitor to Generative Adversarial Networks (GANs). However, despite their widespread use in image synthesis and editing applications, their latent space is still not as well understood. Recently, a semantic latent space for DDMs, coined `h-space', was shown to facilitate semantic image editing in a way reminiscent of GANs. The h-space is comprised of the bottleneck activations in the DDM's denoiser across all timesteps of the diffusion process. In this paper, we explore the properties of h-space and propose several novel methods for finding meaningful semantic directions within it. We start by studying unsupervised methods for revealing interpretable semantic directions in pretrained DDMs. Specifically, we show that global latent directions emerge as the principal components in the latent space. Additionally, we provide a novel method for discovering image-specific semantic directions by spectral analysis of the Jacobian of the denoiser w.r.t. the latent code. Next, we extend the analysis by finding directions in a supervised fashion in unconditional DDMs. We demonstrate how such directions can be found by relying on either a labeled data set of real images or by annotating generated samples with a domain-specific attribute classifier. We further show how to semantically disentangle the found direction by simple linear projection. Our approaches are applicable without requiring any architectural modifications, text-based guidance, CLIP-based optimization, or model fine-tuning.

Selecting appropriate datasets is critical in modern computer vision. However, no general-purpose tools exist to evaluate the extent to which two datasets differ. For this, we propose representing images - and by extension datasets - using Distributions of Neuron Activations (DNAs). DNAs fit distributions, such as histograms or Gaussians, to activations of neurons in a pre-trained feature extractor through which we pass the image(s) to represent. This extractor is frozen for all datasets, and we rely on its generally expressive power in feature space. By comparing two DNAs, we can evaluate the extent to which two datasets differ with granular control over the comparison attributes of interest, providing the ability to customise the way distances are measured to suit the requirements of the task at hand. Furthermore, DNAs are compact, representing datasets of any size with less than 15 megabytes. We demonstrate the value of DNAs by evaluating their applicability on several tasks, including conditional dataset comparison, synthetic image evaluation, and transfer learning, and across diverse datasets, ranging from synthetic cat images to celebrity faces and urban driving scenes.

A neuroscience method to understanding the brain is to find and study the preferred stimuli that highly activate an individual cell or groups of cells. Recent advances in machine learning enable a family of methods to synthesize preferred stimuli that cause a neuron in an artificial or biological brain to fire strongly. Those methods are known as Activation Maximization (AM) or Feature Visualization via Optimization. In this chapter, we (1) review existing AM techniques in the literature; (2) discuss a probabilistic interpretation for AM; and (3) review the applications of AM in debugging and explaining networks.

Deep neural networks (DNNs) have demonstrated state-of-the-art results on many pattern recognition tasks, especially vision classification problems. Understanding the inner workings of such computational brains is both fascinating basic science that is interesting in its own right - similar to why we study the human brain - and will enable researchers to further improve DNNs. One path to understanding how a neural network functions internally is to study what each of its neurons has learned to detect. One such method is called activation maximization (AM), which synthesizes an input (e.g. an image) that highly activates a neuron. Here we dramatically improve the qualitative state of the art of activation maximization by harnessing a powerful, learned prior: a deep generator network (DGN). The algorithm (1) generates qualitatively state-of-the-art synthetic images that look almost real, (2) reveals the features learned by each neuron in an interpretable way, (3) generalizes well to new datasets and somewhat well to different network architectures without requiring the prior to be relearned, and (4) can be considered as a high-quality generative method (in this case, by generating novel, creative, interesting, recognizable images).

Neural networks embed the geometric structure of a data manifold lying in a high-dimensional space into latent representations. Ideally, the distribution of the data points in the latent space should depend only on the task, the data, the loss, and other architecture-specific constraints. However, factors such as the random weights initialization, training hyperparameters, or other sources of randomness in the training phase may induce incoherent latent spaces that hinder any form of reuse. Nevertheless, we empirically observe that, under the same data and modeling choices, the angles between the encodings within distinct latent spaces do not change. In this work, we propose the latent similarity between each sample and a fixed set of anchors as an alternative data representation, demonstrating that it can enforce the desired invariances without any additional training. We show how neural architectures can leverage these relative representations to guarantee, in practice, invariance to latent isometries and rescalings, effectively enabling latent space communication: from zero-shot model stitching to latent space comparison between diverse settings. We extensively validate the generalization capability of our approach on different datasets, spanning various modalities (images, text, graphs), tasks (e.g., classification, reconstruction) and architectures (e.g., CNNs, GCNs, transformers).

Object-centric architectures usually apply a differentiable module to the entire feature map to decompose it into sets of entity representations called slots. Some of these methods structurally resemble clustering algorithms, where the cluster's center in latent space serves as a slot representation. Slot Attention is an example of such a method, acting as a learnable analog of the soft k-means algorithm. Our work employs a learnable clustering method based on the Gaussian Mixture Model. Unlike other approaches, we represent slots not only as centers of clusters but also incorporate information about the distance between clusters and assigned vectors, leading to more expressive slot representations. Our experiments demonstrate that using this approach instead of Slot Attention improves performance in object-centric scenarios, achieving state-of-the-art results in the set property prediction task.

Reconstructing images seen by people from their fMRI brain recordings provides a non-invasive window into the human brain. Despite recent progress enabled by diffusion models, current methods often lack faithfulness to the actual seen images. We present "Brain-IT", a brain-inspired approach that addresses this challenge through a Brain Interaction Transformer (BIT), allowing effective interactions between clusters of functionally-similar brain-voxels. These functional-clusters are shared by all subjects, serving as building blocks for integrating information both within and across brains. All model components are shared by all clusters & subjects, allowing efficient training with a limited amount of data. To guide the image reconstruction, BIT predicts two complementary localized patch-level image features: (i)high-level semantic features which steer the diffusion model toward the correct semantic content of the image; and (ii)low-level structural features which help to initialize the diffusion process with the correct coarse layout of the image. BIT's design enables direct flow of information from brain-voxel clusters to localized image features. Through these principles, our method achieves image reconstructions from fMRI that faithfully reconstruct the seen images, and surpass current SotA approaches both visually and by standard objective metrics. Moreover, with only 1-hour of fMRI data from a new subject, we achieve results comparable to current methods trained on full 40-hour recordings.

The increasing capabilities of large generative models and their ever more widespread deployment have raised concerns about their reliability, safety, and potential misuse. To address these issues, recent works have proposed to control model generation by steering model activations in order to effectively induce or prevent the emergence of concepts or behaviors in the generated output. In this paper we introduce Activation Transport (AcT), a general framework to steer activations guided by optimal transport theory that generalizes many previous activation-steering works. AcT is modality-agnostic and provides fine-grained control over the model behavior with negligible computational overhead, while minimally impacting model abilities. We experimentally show the effectiveness and versatility of our approach by addressing key challenges in large language models (LLMs) and text-to-image diffusion models (T2Is). For LLMs, we show that AcT can effectively mitigate toxicity, induce arbitrary concepts, and increase their truthfulness. In T2Is, we show how AcT enables fine-grained style control and concept negation.

Latent generative modeling, where a pretrained autoencoder maps pixels into a latent space for the diffusion process, has become the standard strategy for Diffusion Transformers (DiT); however, the autoencoder component has barely evolved. Most DiTs continue to rely on the original VAE encoder, which introduces several limitations: outdated backbones that compromise architectural simplicity, low-dimensional latent spaces that restrict information capacity, and weak representations that result from purely reconstruction-based training and ultimately limit generative quality. In this work, we explore replacing the VAE with pretrained representation encoders (e.g., DINO, SigLIP, MAE) paired with trained decoders, forming what we term Representation Autoencoders (RAEs). These models provide both high-quality reconstructions and semantically rich latent spaces, while allowing for a scalable transformer-based architecture. Since these latent spaces are typically high-dimensional, a key challenge is enabling diffusion transformers to operate effectively within them. We analyze the sources of this difficulty, propose theoretically motivated solutions, and validate them empirically. Our approach achieves faster convergence without auxiliary representation alignment losses. Using a DiT variant equipped with a lightweight, wide DDT head, we achieve strong image generation results on ImageNet: 1.51 FID at 256x256 (no guidance) and 1.13 at both 256x256 and 512x512 (with guidance). RAE offers clear advantages and should be the new default for diffusion transformer training.

Diffusion models excel at generating high-dimensional data but fall short in training efficiency and representation quality compared to self-supervised methods. We identify a key bottleneck: the underutilization of high-quality, semantically rich representations during training notably slows down convergence. Our systematic analysis reveals a critical representation processing region -- primarily in the early layers -- where semantic and structural pattern learning takes place before generation can occur. To address this, we propose Embedded Representation Warmup (ERW), a plug-and-play framework where in the first stage we get the ERW module serves as a warmup that initializes the early layers of the diffusion model with high-quality, pretrained representations. This warmup minimizes the burden of learning representations from scratch, thereby accelerating convergence and boosting performance. Our theoretical analysis demonstrates that ERW's efficacy depends on its precise integration into specific neural network layers -- termed the representation processing region -- where the model primarily processes and transforms feature representations for later generation. We further establish that ERW not only accelerates training convergence but also enhances representation quality: empirically, our method achieves a 40times acceleration in training speed compared to REPA, the current state-of-the-art methods. Code is available at https://github.com/LINs-lab/ERW.

Transformer and its variants are fundamental neural architectures in deep learning. Recent works show that learning attention in the Fourier space can improve the long sequence learning capability of Transformers. We argue that wavelet transform shall be a better choice because it captures both position and frequency information with linear time complexity. Therefore, in this paper, we systematically study the synergy between wavelet transform and Transformers. We propose Wavelet Space Attention (WavSpA) that facilitates attention learning in a learnable wavelet coefficient space which replaces the attention in Transformers by (1) applying forward wavelet transform to project the input sequences to multi-resolution bases, (2) conducting attention learning in the wavelet coefficient space, and (3) reconstructing the representation in input space via backward wavelet transform. Extensive experiments on the Long Range Arena demonstrate that learning attention in the wavelet space using either fixed or adaptive wavelets can consistently improve Transformer's performance and also significantly outperform learning in Fourier space. We further show our method can enhance Transformer's reasoning extrapolation capability over distance on the LEGO chain-of-reasoning task.

We present MindEye, a novel fMRI-to-image approach to retrieve and reconstruct viewed images from brain activity. Our model comprises two parallel submodules that are specialized for retrieval (using contrastive learning) and reconstruction (using a diffusion prior). MindEye can map fMRI brain activity to any high dimensional multimodal latent space, like CLIP image space, enabling image reconstruction using generative models that accept embeddings from this latent space. We comprehensively compare our approach with other existing methods, using both qualitative side-by-side comparisons and quantitative evaluations, and show that MindEye achieves state-of-the-art performance in both reconstruction and retrieval tasks. In particular, MindEye can retrieve the exact original image even among highly similar candidates indicating that its brain embeddings retain fine-grained image-specific information. This allows us to accurately retrieve images even from large-scale databases like LAION-5B. We demonstrate through ablations that MindEye's performance improvements over previous methods result from specialized submodules for retrieval and reconstruction, improved training techniques, and training models with orders of magnitude more parameters. Furthermore, we show that MindEye can better preserve low-level image features in the reconstructions by using img2img, with outputs from a separate autoencoder. All code is available on GitHub.

This paper presents AlphaSpace, a novel methodology designed to enhance the spatial reasoning capabilities of large language models (LLMs) for 3D Cartesian space navigation. AlphaSpace employs a semantics-based tokenization strategy, encoding height information through specialized semantic tokens, and integrates primarily symbolic synthetic reasoning data. This approach enables LLMs to accurately manipulate objects by positioning them at specific [x, y, z] coordinates. Experimental results demonstrate that AlphaSpace significantly outperforms existing models on manipulation subtasks, achieving a total accuracy of 66.67%, compared to 37.5% for GPT-4o and 29.17% for Claude 3.5 Sonnet.

Recent advances in latent diffusion models have demonstrated their effectiveness for high-resolution image synthesis. However, the properties of the latent space from tokenizer for better learning and generation of diffusion models remain under-explored. Theoretically and empirically, we find that improved generation quality is closely tied to the latent distributions with better structure, such as the ones with fewer Gaussian Mixture modes and more discriminative features. Motivated by these insights, we propose MAETok, an autoencoder (AE) leveraging mask modeling to learn semantically rich latent space while maintaining reconstruction fidelity. Extensive experiments validate our analysis, demonstrating that the variational form of autoencoders is not necessary, and a discriminative latent space from AE alone enables state-of-the-art performance on ImageNet generation using only 128 tokens. MAETok achieves significant practical improvements, enabling a gFID of 1.69 with 76x faster training and 31x higher inference throughput for 512x512 generation. Our findings show that the structure of the latent space, rather than variational constraints, is crucial for effective diffusion models. Code and trained models are released.

Active inference is a first principles approach for understanding the brain in particular, and sentient agents in general, with the single imperative of minimizing free energy. As such, it provides a computational account for modelling artificial intelligent agents, by defining the agent's generative model and inferring the model parameters, actions and hidden state beliefs. However, the exact specification of the generative model and the hidden state space structure is left to the experimenter, whose design choices influence the resulting behaviour of the agent. Recently, deep learning methods have been proposed to learn a hidden state space structure purely from data, alleviating the experimenter from this tedious design task, but resulting in an entangled, non-interpreteable state space. In this paper, we hypothesize that such a learnt, entangled state space does not necessarily yield the best model in terms of free energy, and that enforcing different factors in the state space can yield a lower model complexity. In particular, we consider the problem of 3D object representation, and focus on different instances of the ShapeNet dataset. We propose a model that factorizes object shape, pose and category, while still learning a representation for each factor using a deep neural network. We show that models, with best disentanglement properties, perform best when adopted by an active agent in reaching preferred observations.

Prior studies on the emergence in large models have primarily focused on how the functional capabilities of large language models (LLMs) scale with model size. Our research, however, transcends this traditional paradigm, aiming to deepen our understanding of the emergence within LLMs by placing a special emphasis not just on the model size but more significantly on the complex behavior of neuron interactions during the training process. By introducing the concepts of "self-organization" and "multifractal analysis," we explore how neuron interactions dynamically evolve during training, leading to "emergence," mirroring the phenomenon in natural systems where simple micro-level interactions give rise to complex macro-level behaviors. To quantitatively analyze the continuously evolving interactions among neurons in large models during training, we propose the Neuron-based Multifractal Analysis (NeuroMFA). Utilizing NeuroMFA, we conduct a comprehensive examination of the emergent behavior in LLMs through the lens of both model size and training process, paving new avenues for research into the emergence in large models.

Neural Architecture Search (NAS) algorithms automate the task of finding optimal deep learning architectures given an initial search space of possible operations. Developing these search spaces is usually a manual affair with pre-optimized search spaces being more efficient, rather than searching from scratch. In this paper we present a new framework called Neural Architecture Type System (NeuralArTS) that categorizes the infinite set of network operations in a structured type system. We further demonstrate how NeuralArTS can be applied to convolutional layers and propose several future directions.

Attending to what is relevant is fundamental to both the mammalian brain and modern machine learning models such as Transformers. Yet, determining relevance remains a core challenge, traditionally offloaded to learning algorithms like backpropagation. Inspired by recent cellular neurobiological evidence linking neocortical pyramidal cells to distinct mental states, this work shows how models (e.g., Transformers) can emulate high-level perceptual processing and awake thought (imagination) states to pre-select relevant information before applying attention. Triadic neuronal-level modulation loops among questions (Q), clues (keys, K), and hypotheses (values, V) enable diverse, deep, parallel reasoning chains at the representation level and allow a rapid shift from initial biases to refined understanding. This leads to orders-of-magnitude faster learning with significantly reduced computational demand (e.g., fewer heads, layers, and tokens), at an approximate cost of O(N), where N is the number of input tokens. Results span reinforcement learning (e.g., CarRacing in a high-dimensional visual setup), computer vision, and natural language question answering.

Recently, State Space Models (SSMs), with Mamba as a prime example, have shown great promise for long-range dependency modeling with linear complexity. Then, Vision Mamba and the subsequent architectures are presented successively, and they perform well on visual tasks. The crucial step of applying Mamba to visual tasks is to construct 2D visual features in sequential manners. To effectively organize and construct visual features within the 2D image space through 1D selective scan, we propose a novel Multi-Head Scan (MHS) module. The embeddings extracted from the preceding layer are projected into multiple lower-dimensional subspaces. Subsequently, within each subspace, the selective scan is performed along distinct scan routes. The resulting sub-embeddings, obtained from the multi-head scan process, are then integrated and ultimately projected back into the high-dimensional space. Moreover, we incorporate a Scan Route Attention (SRA) mechanism to enhance the module's capability to discern complex structures. To validate the efficacy of our module, we exclusively substitute the 2D-Selective-Scan (SS2D) block in VM-UNet with our proposed module, and we train our models from scratch without using any pre-trained weights. The results indicate a significant improvement in performance while reducing the parameters of the original VM-UNet. The code for this study is publicly available at https://github.com/PixDeep/MHS-VM.

This paper studies the curious phenomenon for machine learning models with Transformer architectures that their activation maps are sparse. By activation map we refer to the intermediate output of the multi-layer perceptrons (MLPs) after a ReLU activation function, and by sparse we mean that on average very few entries (e.g., 3.0% for T5-Base and 6.3% for ViT-B16) are nonzero for each input to MLP. Moreover, larger Transformers with more layers and wider MLP hidden dimensions are sparser as measured by the percentage of nonzero entries. Through extensive experiments we demonstrate that the emergence of sparsity is a prevalent phenomenon that occurs for both natural language processing and vision tasks, on both training and evaluation data, for Transformers of various configurations, at layers of all depth levels, as well as for other architectures including MLP-mixers and 2-layer MLPs. We show that sparsity also emerges using training datasets with random labels, or with random inputs, or with infinite amount of data, demonstrating that sparsity is not a result of a specific family of datasets. We discuss how sparsity immediately implies a way to significantly reduce the FLOP count and improve efficiency for Transformers. Moreover, we demonstrate perhaps surprisingly that enforcing an even sparser activation via Top-k thresholding with a small value of k brings a collection of desired but missing properties for Transformers, namely less sensitivity to noisy training data, more robustness to input corruptions, and better calibration for their prediction confidence.

Despite the groundbreaking success of diffusion models in generating high-fidelity images, their latent space remains relatively under-explored, even though it holds significant promise for enabling versatile and interpretable image editing capabilities. The complicated denoising trajectory and high dimensionality of the latent space make it extremely challenging to interpret. Existing methods mainly explore the feature space of U-Net in Diffusion Models (DMs) instead of the latent space itself. In contrast, we directly investigate the latent space via Singular Value Decomposition (SVD) and discover three useful properties that can be used to control generation results without the requirements of data collection and maintain identity fidelity generated images. Based on these properties, we propose a novel image editing framework that is capable of learning arbitrary attributes from one pair of latent codes destined by text prompts in Stable Diffusion Models. To validate our approach, extensive experiments are conducted to demonstrate its effectiveness and flexibility in image editing. We will release our codes soon to foster further research and applications in this area.

Catastrophic forgetting remains a significant challenge to continual learning for decades. While recent works have proposed effective methods to mitigate this problem, they mainly focus on the algorithmic side. Meanwhile, we do not fully understand what architectural properties of neural networks lead to catastrophic forgetting. This study aims to fill this gap by studying the role of activation functions in the training dynamics of neural networks and their impact on catastrophic forgetting. Our study reveals that, besides sparse representations, the gradient sparsity of activation functions also plays an important role in reducing forgetting. Based on this insight, we propose a new class of activation functions, elephant activation functions, that can generate both sparse representations and sparse gradients. We show that by simply replacing classical activation functions with elephant activation functions, we can significantly improve the resilience of neural networks to catastrophic forgetting. Our method has broad applicability and benefits for continual learning in regression, class incremental learning, and reinforcement learning tasks. Specifically, we achieves excellent performance on Split MNIST dataset in just one single pass, without using replay buffer, task boundary information, or pre-training.

A myriad of recent breakthroughs in hand-crafted neural architectures for visual recognition have highlighted the urgent need to explore hybrid architectures consisting of diversified building blocks. Meanwhile, neural architecture search methods are surging with an expectation to reduce human efforts. However, whether NAS methods can efficiently and effectively handle diversified search spaces with disparate candidates (e.g. CNNs and transformers) is still an open question. In this work, we present Block-wisely Self-supervised Neural Architecture Search (BossNAS), an unsupervised NAS method that addresses the problem of inaccurate architecture rating caused by large weight-sharing space and biased supervision in previous methods. More specifically, we factorize the search space into blocks and utilize a novel self-supervised training scheme, named ensemble bootstrapping, to train each block separately before searching them as a whole towards the population center. Additionally, we present HyTra search space, a fabric-like hybrid CNN-transformer search space with searchable down-sampling positions. On this challenging search space, our searched model, BossNet-T, achieves up to 82.5% accuracy on ImageNet, surpassing EfficientNet by 2.4% with comparable compute time. Moreover, our method achieves superior architecture rating accuracy with 0.78 and 0.76 Spearman correlation on the canonical MBConv search space with ImageNet and on NATS-Bench size search space with CIFAR-100, respectively, surpassing state-of-the-art NAS methods. Code: https://github.com/changlin31/BossNAS

Modern generative models demonstrate impressive capabilities, likely stemming from an ability to identify and manipulate abstract concepts underlying their training data. However, fundamental questions remain: what determines the concepts a model learns, the order in which it learns them, and its ability to manipulate those concepts? To address these questions, we propose analyzing a model's learning dynamics via a framework we call the concept space, where each axis represents an independent concept underlying the data generating process. By characterizing learning dynamics in this space, we identify how the speed at which a concept is learned, and hence the order of concept learning, is controlled by properties of the data we term concept signal. Further, we observe moments of sudden turns in the direction of a model's learning dynamics in concept space. Surprisingly, these points precisely correspond to the emergence of hidden capabilities, i.e., where latent interventions show the model possesses the capability to manipulate a concept, but these capabilities cannot yet be elicited via naive input prompting. While our results focus on synthetically defined toy datasets, we hypothesize a general claim on emergence of hidden capabilities may hold: generative models possess latent capabilities that emerge suddenly and consistently during training, though a model might not exhibit these capabilities under naive input prompting.

The parameter space for any fixed architecture of feedforward ReLU neural networks serves as a proxy during training for the associated class of functions - but how faithful is this representation? It is known that many different parameter settings can determine the same function. Moreover, the degree of this redundancy is inhomogeneous: for some networks, the only symmetries are permutation of neurons in a layer and positive scaling of parameters at a neuron, while other networks admit additional hidden symmetries. In this work, we prove that, for any network architecture where no layer is narrower than the input, there exist parameter settings with no hidden symmetries. We also describe a number of mechanisms through which hidden symmetries can arise, and empirically approximate the functional dimension of different network architectures at initialization. These experiments indicate that the probability that a network has no hidden symmetries decreases towards 0 as depth increases, while increasing towards 1 as width and input dimension increase.

Representational analysis explores how input data of a neural system are encoded in high dimensional spaces of its distributed neural activations, and how we can compare different systems, for instance, artificial neural networks and brains, on those grounds. While existing methods offer important insights, they typically do not account for local intrinsic geometrical properties within the high-dimensional representation spaces. To go beyond these limitations, we explore Ollivier-Ricci curvature and Ricci flow as tools to study the alignment of representations between humans and artificial neural systems on a geometric level. As a proof-of-principle study, we compared the representations of face stimuli between VGG-Face, a human-aligned version of VGG-Face, and corresponding human similarity judgments from a large online study. Using this discrete geometric framework, we were able to identify local structural similarities and differences by examining the distributions of node and edge curvature and higher-level properties by detecting and comparing community structure in the representational graphs.

Neurons in the brain are spatially organized such that neighbors on tissue often exhibit similar response profiles. In the human language system, experimental studies have observed clusters for syntactic and semantic categories, but the mechanisms underlying this functional organization remain unclear. Here, building on work from the vision literature, we develop TopoLM, a transformer language model with an explicit two-dimensional spatial representation of model units. By combining a next-token prediction objective with a spatial smoothness loss, representations in this model assemble into clusters that correspond to semantically interpretable groupings of text and closely match the functional organization in the brain's language system. TopoLM successfully predicts the emergence of the spatio-functional organization of a cortical language system as well as the organization of functional clusters selective for fine-grained linguistic features empirically observed in human cortex. Our results suggest that the functional organization of the human language system is driven by a unified spatial objective, and provide a functionally and spatially aligned model of language processing in the brain.

We introduce the Similarity-Distance-Magnitude (SDM) activation function, a more robust and interpretable formulation of the standard softmax activation function, adding Similarity (i.e., correctly predicted depth-matches into training) awareness and Distance-to-training-distribution awareness to the existing output Magnitude (i.e., decision-boundary) awareness, and enabling interpretability-by-exemplar via dense matching. We further introduce the SDM estimator, based on a data-driven partitioning of the class-wise empirical CDFs via the SDM activation, to control the class- and prediction-conditional accuracy among selective classifications. When used as the final-layer activation over pre-trained language models for selective classification, the SDM estimator is more robust to co-variate shifts and out-of-distribution inputs than existing calibration methods using softmax activations, while remaining informative over in-distribution data.

In this study, we present a technique that spans multi-scale views (global scale -- meaning brain network-level and local scale -- examining each individual ROI that constitutes the network) applied to resting-state fMRI volumes. Deep learning based classification is utilized in understanding neurodegeneration. The novelty of the proposed approach lies in utilizing two extreme scales of analysis. One branch considers the entire network within graph-analysis framework. Concurrently, the second branch scrutinizes each ROI within a network independently, focusing on evolution of dynamics. For each subject, graph-based approach employs partial correlation to profile the subject in a single graph where each ROI is a node, providing insights into differences in levels of participation. In contrast, non-linear analysis employs recurrence plots to profile a subject as a multichannel 2D image, revealing distinctions in underlying dynamics. The proposed approach is employed for classification of a cohort of 50 healthy control (HC) and 50 Mild Cognitive Impairment (MCI), sourced from ADNI dataset. Results point to: (1) reduced activity in ROIs such as PCC in MCI (2) greater activity in occipital in MCI, which is not seen in HC (3) when analysed for dynamics, all ROIs in MCI show greater predictability in time-series.

Interpretability is critical in high-stakes domains such as medical imaging, where understanding model decisions is essential for clinical adoption. In this work, we introduce Sparse Autoencoder (SAE)-based interpretability to breast imaging by analyzing {Mammo-CLIP}, a vision--language foundation model pretrained on large-scale mammogram image--report pairs. We train a patch-level Mammo-SAE on Mammo-CLIP to identify and probe latent features associated with clinically relevant breast concepts such as mass and suspicious calcification. Our findings reveal that top activated class level latent neurons in the SAE latent space often tend to align with ground truth regions, and also uncover several confounding factors influencing the model's decision-making process. Additionally, we analyze which latent neurons the model relies on during downstream finetuning for improving the breast concept prediction. This study highlights the promise of interpretable SAE latent representations in providing deeper insight into the internal workings of foundation models at every layer for breast imaging. The code will be released at https://krishnakanthnakka.github.io/MammoSAE/

Neural decoding, the process of understanding how brain activity corresponds to different stimuli, has been a primary objective in cognitive sciences. Over the past three decades, advancements in functional Magnetic Resonance Imaging and machine learning have greatly improved our ability to map visual stimuli to brain activity, especially in the visual cortex. Concurrently, research has expanded into decoding more complex processes like language and memory across the whole brain, utilizing techniques to handle greater variability and improve signal accuracy. We argue that "seeing" involves more than just mapping visual stimuli onto the visual cortex; it engages the entire brain, as various emotions and cognitive states can emerge from observing different scenes. In this paper, we develop algorithms to enhance our understanding of visual processes by incorporating whole-brain activation maps while individuals are exposed to visual stimuli. We utilize large-scale fMRI encoders and Image generative models pre-trained on large public datasets, which are then fine-tuned through Image-fMRI contrastive learning. Our models hence can decode visual experience across the entire cerebral cortex, surpassing the traditional confines of the visual cortex. We first compare our method with state-of-the-art approaches to decoding visual processing and show improved predictive semantic accuracy by 43%. A network ablation analysis suggests that beyond the visual cortex, the default mode network contributes most to decoding stimuli, in line with the proposed role of this network in sense-making and semantic processing. Additionally, we implemented zero-shot imagination decoding on an extra validation dataset, achieving a p-value of 0.0206 for mapping the reconstructed images and ground-truth text stimuli, which substantiates the model's capability to capture semantic meanings across various scenarios.

We propose a formal mathematical model for sparse representations and active dendrites in neocortex. Our model is inspired by recent experimental findings on active dendritic processing and NMDA spikes in pyramidal neurons. These experimental and modeling studies suggest that the basic unit of pattern memory in the neocortex is instantiated by small clusters of synapses operated on by localized non-linear dendritic processes. We derive a number of scaling laws that characterize the accuracy of such dendrites in detecting activation patterns in a neuronal population under adverse conditions. We introduce the union property which shows that synapses for multiple patterns can be randomly mixed together within a segment and still lead to highly accurate recognition. We describe simulation results that provide further insight into sparse representations as well as two primary results. First we show that pattern recognition by a neuron with active dendrites can be extremely accurate and robust with high dimensional sparse inputs even when using a tiny number of synapses to recognize large patterns. Second, equations representing recognition accuracy of a dendrite predict optimal NMDA spiking thresholds under a generous set of assumptions. The prediction tightly matches NMDA spiking thresholds measured in the literature. Our model matches many of the known properties of pyramidal neurons. As such the theory provides a mathematical framework for understanding the benefits and limits of sparse representations in cortical networks.

Large-scale text-to-image diffusion models excel in generating high-quality images from textual inputs, yet concerns arise as research indicates their tendency to memorize and replicate training data, raising We also addressed the issue of memorization in diffusion models, where models tend to replicate exact training samples raising copyright infringement and privacy issues. Efforts within the text-to-image community to address memorization explore causes such as data duplication, replicated captions, or trigger tokens, proposing per-prompt inference-time or training-time mitigation strategies. In this paper, we focus on the feed-forward layers and begin by contrasting neuron activations of a set of memorized and non-memorized prompts. Experiments reveal a surprising finding: many different sets of memorized prompts significantly activate a common subspace in the model, demonstrating, for the first time, that memorization in the diffusion models lies in a special subspace. Subsequently, we introduce a novel post-hoc method for editing pre-trained models, whereby memorization is mitigated through the straightforward pruning of weights in specialized subspaces, avoiding the need to disrupt the training or inference process as seen in prior research. Finally, we demonstrate the robustness of the pruned model against training data extraction attacks, thereby unveiling new avenues for a practical and one-for-all solution to memorization.

We analyse perception and memory, using mathematical models for knowledge graphs and tensors, to gain insights into the corresponding functionalities of the human mind. Our discussion is based on the concept of propositional sentences consisting of subject-predicate-object (SPO) triples for expressing elementary facts. SPO sentences are the basis for most natural languages but might also be important for explicit perception and declarative memories, as well as intra-brain communication and the ability to argue and reason. A set of SPO sentences can be described as a knowledge graph, which can be transformed into an adjacency tensor. We introduce tensor models, where concepts have dual representations as indices and associated embeddings, two constructs we believe are essential for the understanding of implicit and explicit perception and memory in the brain. We argue that a biological realization of perception and memory imposes constraints on information processing. In particular, we propose that explicit perception and declarative memories require a semantic decoder, which, in a simple realization, is based on four layers: First, a sensory memory layer, as a buffer for sensory input, second, an index layer representing concepts, third, a memoryless representation layer for the broadcasting of information ---the "blackboard", or the "canvas" of the brain--- and fourth, a working memory layer as a processing center and data buffer. We discuss the operations of the four layers and relate them to the global workspace theory. In a Bayesian brain interpretation, semantic memory defines the prior for observable triple statements. We propose that ---in evolution and during development--- semantic memory, episodic memory, and natural language evolved as emergent properties in agents' process to gain a deeper understanding of sensory information.

We study the task of semantic mapping - specifically, an embodied agent (a robot or an egocentric AI assistant) is given a tour of a new environment and asked to build an allocentric top-down semantic map ("what is where?") from egocentric observations of an RGB-D camera with known pose (via localization sensors). Towards this goal, we present SemanticMapNet (SMNet), which consists of: (1) an Egocentric Visual Encoder that encodes each egocentric RGB-D frame, (2) a Feature Projector that projects egocentric features to appropriate locations on a floor-plan, (3) a Spatial Memory Tensor of size floor-plan length x width x feature-dims that learns to accumulate projected egocentric features, and (4) a Map Decoder that uses the memory tensor to produce semantic top-down maps. SMNet combines the strengths of (known) projective camera geometry and neural representation learning. On the task of semantic mapping in the Matterport3D dataset, SMNet significantly outperforms competitive baselines by 4.01-16.81% (absolute) on mean-IoU and 3.81-19.69% (absolute) on Boundary-F1 metrics. Moreover, we show how to use the neural episodic memories and spatio-semantic allocentric representations build by SMNet for subsequent tasks in the same space - navigating to objects seen during the tour("Find chair") or answering questions about the space ("How many chairs did you see in the house?"). Project page: https://vincentcartillier.github.io/smnet.html.

Weakly supervised object localization and semantic segmentation aim to localize objects using only image-level labels. Recently, a new paradigm has emerged by generating a foreground prediction map (FPM) to achieve pixel-level localization. While existing FPM-based methods use cross-entropy to evaluate the foreground prediction map and to guide the learning of the generator, this paper presents two astonishing experimental observations on the object localization learning process: For a trained network, as the foreground mask expands, 1) the cross-entropy converges to zero when the foreground mask covers only part of the object region. 2) The activation value continuously increases until the foreground mask expands to the object boundary. Therefore, to achieve a more effective localization performance, we argue for the usage of activation value to learn more object regions. In this paper, we propose a Background Activation Suppression (BAS) method. Specifically, an Activation Map Constraint (AMC) module is designed to facilitate the learning of generator by suppressing the background activation value. Meanwhile, by using foreground region guidance and area constraint, BAS can learn the whole region of the object. In the inference phase, we consider the prediction maps of different categories together to obtain the final localization results. Extensive experiments show that BAS achieves significant and consistent improvement over the baseline methods on the CUB-200-2011 and ILSVRC datasets. In addition, our method also achieves state-of-the-art weakly supervised semantic segmentation performance on the PASCAL VOC 2012 and MS COCO 2014 datasets. Code and models are available at https://github.com/wpy1999/BAS-Extension.

This paper presents Diffusion Forcing, a new training paradigm where a diffusion model is trained to denoise a set of tokens with independent per-token noise levels. We apply Diffusion Forcing to sequence generative modeling by training a causal next-token prediction model to generate one or several future tokens without fully diffusing past ones. Our approach is shown to combine the strengths of next-token prediction models, such as variable-length generation, with the strengths of full-sequence diffusion models, such as the ability to guide sampling to desirable trajectories. Our method offers a range of additional capabilities, such as (1) rolling-out sequences of continuous tokens, such as video, with lengths past the training horizon, where baselines diverge and (2) new sampling and guiding schemes that uniquely profit from Diffusion Forcing's variable-horizon and causal architecture, and which lead to marked performance gains in decision-making and planning tasks. In addition to its empirical success, our method is proven to optimize a variational lower bound on the likelihoods of all subsequences of tokens drawn from the true joint distribution. Project website: https://boyuan.space/diffusion-forcing/

We can better understand deep neural networks by identifying which features each of their neurons have learned to detect. To do so, researchers have created Deep Visualization techniques including activation maximization, which synthetically generates inputs (e.g. images) that maximally activate each neuron. A limitation of current techniques is that they assume each neuron detects only one type of feature, but we know that neurons can be multifaceted, in that they fire in response to many different types of features: for example, a grocery store class neuron must activate either for rows of produce or for a storefront. Previous activation maximization techniques constructed images without regard for the multiple different facets of a neuron, creating inappropriate mixes of colors, parts of objects, scales, orientations, etc. Here, we introduce an algorithm that explicitly uncovers the multiple facets of each neuron by producing a synthetic visualization of each of the types of images that activate a neuron. We also introduce regularization methods that produce state-of-the-art results in terms of the interpretability of images obtained by activation maximization. By separately synthesizing each type of image a neuron fires in response to, the visualizations have more appropriate colors and coherent global structure. Multifaceted feature visualization thus provides a clearer and more comprehensive description of the role of each neuron.

In neural decoding research, one of the most intriguing topics is the reconstruction of perceived natural images based on fMRI signals. Previous studies have succeeded in re-creating different aspects of the visuals, such as low-level properties (shape, texture, layout) or high-level features (category of objects, descriptive semantics of scenes) but have typically failed to reconstruct these properties together for complex scene images. Generative AI has recently made a leap forward with latent diffusion models capable of generating high-complexity images. Here, we investigate how to take advantage of this innovative technology for brain decoding. We present a two-stage scene reconstruction framework called ``Brain-Diffuser''. In the first stage, starting from fMRI signals, we reconstruct images that capture low-level properties and overall layout using a VDVAE (Very Deep Variational Autoencoder) model. In the second stage, we use the image-to-image framework of a latent diffusion model (Versatile Diffusion) conditioned on predicted multimodal (text and visual) features, to generate final reconstructed images. On the publicly available Natural Scenes Dataset benchmark, our method outperforms previous models both qualitatively and quantitatively. When applied to synthetic fMRI patterns generated from individual ROI (region-of-interest) masks, our trained model creates compelling ``ROI-optimal'' scenes consistent with neuroscientific knowledge. Thus, the proposed methodology can have an impact on both applied (e.g. brain-computer interface) and fundamental neuroscience.

Sparse Autoencoders (SAEs) have emerged as a useful tool for interpreting the internal representations of neural networks. However, naively optimising SAEs for reconstruction loss and sparsity results in a preference for SAEs that are extremely wide and sparse. We present an information-theoretic framework for interpreting SAEs as lossy compression algorithms for communicating explanations of neural activations. We appeal to the Minimal Description Length (MDL) principle to motivate explanations of activations which are both accurate and concise. We further argue that interpretable SAEs require an additional property, "independent additivity": features should be able to be understood separately. We demonstrate an example of applying our MDL-inspired framework by training SAEs on MNIST handwritten digits and find that SAE features representing significant line segments are optimal, as opposed to SAEs with features for memorised digits from the dataset or small digit fragments. We argue that using MDL rather than sparsity may avoid potential pitfalls with naively maximising sparsity such as undesirable feature splitting and that this framework naturally suggests new hierarchical SAE architectures which provide more concise explanations.

Transformer architectures have revolutionized artificial intelligence (AI) through their attention mechanisms, yet the computational principles underlying their success remain opaque. We present a novel theoretical framework that reinterprets the core computation of attention as Pavlovian conditioning. Our model finds a direct mathematical analogue in linear attention, which simplifies the analysis of the underlying associative process. We demonstrate that attention's queries, keys, and values can be mapped to the three elements of classical conditioning: test stimuli that probe associations, conditional stimuli (CS) that serve as retrieval cues, and unconditional stimuli (US) that contain response information. Through this lens, we suggest that each attention operation constructs a transient associative memory via a Hebbian rule, where CS-US pairs form dynamic associations that test stimuli can later retrieve. Our framework yields several theoretical insights grounded in this linearized model: (1) a capacity theorem showing that attention heads can store O(d_k) associations before interference degrades retrieval; (2) an error propagation analysis revealing fundamental architectural trade-offs of balancing model depth, width, and head redundancy to maintain reliability; and (3) an understanding of how biologically plausible learning rules could enhance transformer architectures. By establishing this deep connection, we suggest that the success of modern AI may stem not from architectural novelty alone, but from implementing computational principles that biology optimized over millions of years of evolution.

Vector Symbolic Architectures (VSAs) have emerged as a novel framework for enabling interpretable machine learning algorithms equipped with the ability to reason and explain their decision processes. The basic idea is to represent discrete information through high dimensional random vectors. Complex data structures can be built up with operations over vectors such as the "binding" operation involving element-wise vector multiplication, which associates data together. The reverse task of decomposing the associated elements is a combinatorially hard task, with an exponentially large search space. The main algorithm for performing this search is the resonator network, inspired by Hopfield network-based memory search operations. In this work, we introduce a new variant of the resonator network, based on self-attention based update rules in the iterative search problem. This update rule, based on the Hopfield network with log-sum-exp energy function and norm-bounded states, is shown to substantially improve the performance and rate of convergence. As a result, our algorithm enables a larger capacity for associative memory, enabling applications in many tasks like perception based pattern recognition, scene decomposition, and object reasoning. We substantiate our algorithm with a thorough evaluation and comparisons to baselines.

We create a reusable Transformer, BrainBERT, for intracranial recordings bringing modern representation learning approaches to neuroscience. Much like in NLP and speech recognition, this Transformer enables classifying complex concepts, i.e., decoding neural data, with higher accuracy and with much less data by being pretrained in an unsupervised manner on a large corpus of unannotated neural recordings. Our approach generalizes to new subjects with electrodes in new positions and to unrelated tasks showing that the representations robustly disentangle the neural signal. Just like in NLP where one can study language by investigating what a language model learns, this approach opens the door to investigating the brain by what a model of the brain learns. As a first step along this path, we demonstrate a new analysis of the intrinsic dimensionality of the computations in different areas of the brain. To construct these representations, we combine a technique for producing super-resolution spectrograms of neural data with an approach designed for generating contextual representations of audio by masking. In the future, far more concepts will be decodable from neural recordings by using representation learning, potentially unlocking the brain like language models unlocked language.

Understanding the functional organization of higher visual cortex is a central focus in neuroscience. Past studies have primarily mapped the visual and semantic selectivity of neural populations using hand-selected stimuli, which may potentially bias results towards pre-existing hypotheses of visual cortex functionality. Moving beyond conventional approaches, we introduce a data-driven method that generates natural language descriptions for images predicted to maximally activate individual voxels of interest. Our method -- Semantic Captioning Using Brain Alignments ("BrainSCUBA") -- builds upon the rich embedding space learned by a contrastive vision-language model and utilizes a pre-trained large language model to generate interpretable captions. We validate our method through fine-grained voxel-level captioning across higher-order visual regions. We further perform text-conditioned image synthesis with the captions, and show that our images are semantically coherent and yield high predicted activations. Finally, to demonstrate how our method enables scientific discovery, we perform exploratory investigations on the distribution of "person" representations in the brain, and discover fine-grained semantic selectivity in body-selective areas. Unlike earlier studies that decode text, our method derives voxel-wise captions of semantic selectivity. Our results show that BrainSCUBA is a promising means for understanding functional preferences in the brain, and provides motivation for further hypothesis-driven investigation of visual cortex.

As artificial intelligence models have exploded in scale and capability, understanding of their internal mechanisms remains a critical challenge. Inspired by the success of dynamical systems approaches in neuroscience, here we propose a novel framework for studying computations in deep learning systems. We focus on the residual stream (RS) in transformer models, conceptualizing it as a dynamical system evolving across layers. We find that activations of individual RS units exhibit strong continuity across layers, despite the RS being a non-privileged basis. Activations in the RS accelerate and grow denser over layers, while individual units trace unstable periodic orbits. In reduced-dimensional spaces, the RS follows a curved trajectory with attractor-like dynamics in the lower layers. These insights bridge dynamical systems theory and mechanistic interpretability, establishing a foundation for a "neuroscience of AI" that combines theoretical rigor with large-scale data analysis to advance our understanding of modern neural networks.

Transformer based language models exhibit intelligent behaviors such as understanding natural language, recognizing patterns, acquiring knowledge, reasoning, planning, reflecting and using tools. This paper explores how their underlying mechanics give rise to intelligent behaviors. Towards that end, we propose framing Transformer dynamics as movement through embedding space. Examining Transformers through this perspective reveals key insights, establishing a Theory of Transformers: 1) Intelligent behaviours map to paths in Embedding Space which, the Transformer random-walks through during inferencing. 2) LM training learns a probability distribution over all possible paths. `Intelligence' is learnt by assigning higher probabilities to paths representing intelligent behaviors. No learning can take place in-context; context only narrows the subset of paths sampled during decoding. 5) The Transformer is a self-mapping composition function, folding a context sequence into a context-vector such that it's proximity to a token-vector reflects its co-occurrence and conditioned probability. Thus, the physical arrangement of vectors in Embedding Space determines path probabilities. 6) Context vectors are composed by aggregating features of the sequence's tokens via a process we call the encoding walk. Attention contributes a - potentially redundant - association-bias to this process. 7) This process is comprised of two principal operation types: filtering (data independent) and aggregation (data dependent). This generalization unifies Transformers with other sequence models. Building upon this foundation, we formalize a popular semantic interpretation of embeddings into a ``concept-space theory'' and find some evidence of it's validity.

The interpretation of deep learning models is a challenge due to their size, complexity, and often opaque internal state. In addition, many systems, such as image classifiers, operate on low-level features rather than high-level concepts. To address these challenges, we introduce Concept Activation Vectors (CAVs), which provide an interpretation of a neural net's internal state in terms of human-friendly concepts. The key idea is to view the high-dimensional internal state of a neural net as an aid, not an obstacle. We show how to use CAVs as part of a technique, Testing with CAVs (TCAV), that uses directional derivatives to quantify the degree to which a user-defined concept is important to a classification result--for example, how sensitive a prediction of "zebra" is to the presence of stripes. Using the domain of image classification as a testing ground, we describe how CAVs may be used to explore hypotheses and generate insights for a standard image classification network as well as a medical application.

End-to-end learning of robot control policies, structured as neural networks, has emerged as a promising approach to robotic manipulation. To complete many common tasks, relevant objects are required to pass in and out of a robot's field of view. In these settings, spatial memory - the ability to remember the spatial composition of the scene - is an important competency. However, building such mechanisms into robot learning systems remains an open research problem. We introduce mindmap (Spatial Memory in Deep Feature Maps for 3D Action Policies), a 3D diffusion policy that generates robot trajectories based on a semantic 3D reconstruction of the environment. We show in simulation experiments that our approach is effective at solving tasks where state-of-the-art approaches without memory mechanisms struggle. We release our reconstruction system, training code, and evaluation tasks to spur research in this direction.

Activation patching is a standard method in mechanistic interpretability for localizing the components of a model responsible for specific behaviors, but it is computationally expensive to apply at scale. Attribution patching offers a faster, gradient-based approximation, yet suffers from noise and reduced reliability in deep, highly non-linear networks. In this work, we introduce Relevance Patching (RelP), which replaces the local gradients in attribution patching with propagation coefficients derived from Layer-wise Relevance Propagation (LRP). LRP propagates the network's output backward through the layers, redistributing relevance to lower-level components according to local propagation rules that ensure properties such as relevance conservation or improved signal-to-noise ratio. Like attribution patching, RelP requires only two forward passes and one backward pass, maintaining computational efficiency while improving faithfulness. We validate RelP across a range of models and tasks, showing that it more accurately approximates activation patching than standard attribution patching, particularly when analyzing residual stream and MLP outputs in the Indirect Object Identification (IOI) task. For instance, for MLP outputs in GPT-2 Large, attribution patching achieves a Pearson correlation of 0.006, whereas RelP reaches 0.956, highlighting the improvement offered by RelP. Additionally, we compare the faithfulness of sparse feature circuits identified by RelP and Integrated Gradients (IG), showing that RelP achieves comparable faithfulness without the extra computational cost associated with IG.

The training process of neural networks usually optimize weights and bias parameters of linear transformations, while nonlinear activation functions are pre-specified and fixed. This work develops a systematic approach to constructing matrix activation functions whose entries are generalized from ReLU. The activation is based on matrix-vector multiplications using only scalar multiplications and comparisons. The proposed activation functions depend on parameters that are trained along with the weights and bias vectors. Neural networks based on this approach are simple and efficient and are shown to be robust in numerical experiments.

Sparse Autoencoders (SAEs) are a promising approach for extracting neural network representations by learning a sparse and overcomplete decomposition of the network's internal activations. However, SAEs are traditionally trained considering only activation values and not the effect those activations have on downstream computations. This limits the information available to learn features, and biases the autoencoder towards neglecting features which are represented with small activation values but strongly influence model outputs. To address this, we introduce Gradient SAEs (g-SAEs), which modify the k-sparse autoencoder architecture by augmenting the TopK activation function to rely on the gradients of the input activation when selecting the k elements. For a given sparsity level, g-SAEs produce reconstructions that are more faithful to original network performance when propagated through the network. Additionally, we find evidence that g-SAEs learn latents that are on average more effective at steering models in arbitrary contexts. By considering the downstream effects of activations, our approach leverages the dual nature of neural network features as both representations, retrospectively, and actions, prospectively. While previous methods have approached the problem of feature discovery primarily focused on the former aspect, g-SAEs represent a step towards accounting for the latter as well.

In Marius von Senden's Space and Sight, a newly sighted blind patient describes the experience of a corner as lemon-like, because corners "prick" sight like lemons prick the tongue. Prickliness, here, is a dimension in the feature space of sensory experience, an effect of the perceived on the perceiver that arises where the two interact. In the account of the newly sighted, an effect familiar from one interaction translates to a novel context. Perception serves as the vehicle for generalization, in that an effect shared across different experiences produces a concrete abstraction grounded in those experiences. Cezanne and the post-impressionists, fluent in the language of experience translation, realized that the way to paint a concrete form that best reflected reality was to paint not what they saw, but what it was like to see. We envision a future of creation using AI where what it is like to see is replicable, transferrable, manipulable - part of the artist's palette that is both grounded in a particular context, and generalizable beyond it. An active line of research maps human-interpretable features onto directions in GAN latent space. Supervised and self-supervised approaches that search for anticipated directions or use off-the-shelf classifiers to drive image manipulation in embedding space are limited in the variety of features they can uncover. Unsupervised approaches that discover useful new directions show that the space of perceptually meaningful directions is nowhere close to being fully mapped. As this space is broad and full of creative potential, we want tools for direction discovery that capture the richness and generalizability of human perception. Our approach puts creators in the discovery loop during real-time tool use, in order to identify directions that are perceptually meaningful to them, and generate interpretable image translations along those directions.

Identifying low-dimensional latent structures within high-dimensional data has long been a central topic in the machine learning community, driven by the need for data compression, storage, transmission, and deeper data understanding. Traditional methods, such as principal component analysis (PCA) and autoencoders (AE), operate in an unsupervised manner, ignoring label information even when it is available. In this work, we introduce a unified method capable of learning latent spaces in both unsupervised and supervised settings. We formulate the problem as a nonlinear multiple-response regression within an index model context. By applying the generalized Stein's lemma, the latent space can be estimated without knowing the nonlinear link functions. Our method can be viewed as a nonlinear generalization of PCA. Moreover, unlike AE and other neural network methods that operate as "black boxes", our approach not only offers better interpretability but also reduces computational complexity while providing strong theoretical guarantees. Comprehensive numerical experiments and real data analyses demonstrate the superior performance of our method.

Attention sink (AS) is a consistent pattern in transformer attention maps where certain tokens (often special tokens or positional anchors) disproportionately attract attention from other tokens. We show that in transformers, AS is not an architectural artifact, but it is the manifestation of a fundamental geometric principle: the establishment of reference frames that anchor representational spaces. We analyze several architectures and identify three distinct reference frame types, centralized, distributed, and bidirectional, that correlate with the attention sink phenomenon. We show that they emerge during the earliest stages of training as optimal solutions to the problem of establishing stable coordinate systems in high-dimensional spaces. We show the influence of architecture components, particularly position encoding implementations, on the specific type of reference frame. This perspective transforms our understanding of transformer attention mechanisms and provides insights for both architecture design and the relationship with AS.

Input space reconstruction is an attractive representation learning paradigm. Despite interpretability of the reconstruction and generation, we identify a misalignment between learning by reconstruction, and learning for perception. We show that the former allocates a model's capacity towards a subspace of the data explaining the observed variance--a subspace with uninformative features for the latter. For example, the supervised TinyImagenet task with images projected onto the top subspace explaining 90\% of the pixel variance can be solved with 45\% test accuracy. Using the bottom subspace instead, accounting for only 20\% of the pixel variance, reaches 55\% test accuracy. The features for perception being learned last explains the need for long training time, e.g., with Masked Autoencoders. Learning by denoising is a popular strategy to alleviate that misalignment. We prove that while some noise strategies such as masking are indeed beneficial, others such as additive Gaussian noise are not. Yet, even in the case of masking, we find that the benefits vary as a function of the mask's shape, ratio, and the considered dataset. While tuning the noise strategy without knowledge of the perception task seems challenging, we provide first clues on how to detect if a noise strategy is never beneficial regardless of the perception task.

We investigate the space of weights spanned by a large collection of customized diffusion models. We populate this space by creating a dataset of over 60,000 models, each of which is a base model fine-tuned to insert a different person's visual identity. We model the underlying manifold of these weights as a subspace, which we term weights2weights. We demonstrate three immediate applications of this space -- sampling, editing, and inversion. First, as each point in the space corresponds to an identity, sampling a set of weights from it results in a model encoding a novel identity. Next, we find linear directions in this space corresponding to semantic edits of the identity (e.g., adding a beard). These edits persist in appearance across generated samples. Finally, we show that inverting a single image into this space reconstructs a realistic identity, even if the input image is out of distribution (e.g., a painting). Our results indicate that the weight space of fine-tuned diffusion models behaves as an interpretable latent space of identities.

This work explores the visual explanation for deep metric learning and its applications. As an important problem for learning representation, metric learning has attracted much attention recently, while the interpretation of such model is not as well studied as classification. To this end, we propose an intuitive idea to show where contributes the most to the overall similarity of two input images by decomposing the final activation. Instead of only providing the overall activation map of each image, we propose to generate point-to-point activation intensity between two images so that the relationship between different regions is uncovered. We show that the proposed framework can be directly deployed to a large range of metric learning applications and provides valuable information for understanding the model. Furthermore, our experiments show its effectiveness on two potential applications, i.e. cross-view pattern discovery and interactive retrieval. The source code is available at https://github.com/Jeff-Zilence/Explain_Metric_Learning.

Activation functions are fundamental in deep neural networks and directly impact gradient flow, optimization stability, and generalization. Although ReLU remains standard because of its simplicity, it suffers from vanishing gradients and lacks adaptability. Alternatives like Swish and GELU introduce smooth transitions, but fail to dynamically adjust to input statistics. We propose VeLU, a Variance-enhanced Learning Unit as an activation function that dynamically scales based on input variance by integrating ArcTan-Sin transformations and Wasserstein-2 regularization, effectively mitigating covariate shifts and stabilizing optimization. Extensive experiments on ViT_B16, VGG19, ResNet50, DenseNet121, MobileNetV2, and EfficientNetB3 confirm VeLU's superiority over ReLU, ReLU6, Swish, and GELU on six vision benchmarks. The codes of VeLU are publicly available on GitHub.

We study the challenging problem of releasing a robot in a previously unseen environment, and having it follow unconstrained natural language navigation instructions. Recent work on the task of Vision-and-Language Navigation (VLN) has achieved significant progress in simulation. To assess the implications of this work for robotics, we transfer a VLN agent trained in simulation to a physical robot. To bridge the gap between the high-level discrete action space learned by the VLN agent, and the robot's low-level continuous action space, we propose a subgoal model to identify nearby waypoints, and use domain randomization to mitigate visual domain differences. For accurate sim and real comparisons in parallel environments, we annotate a 325m2 office space with 1.3km of navigation instructions, and create a digitized replica in simulation. We find that sim-to-real transfer to an environment not seen in training is successful if an occupancy map and navigation graph can be collected and annotated in advance (success rate of 46.8% vs. 55.9% in sim), but much more challenging in the hardest setting with no prior mapping at all (success rate of 22.5%).

Generative models serve as powerful tools for modeling the real world, with mainstream diffusion models, particularly those based on the latent diffusion model paradigm, achieving remarkable progress across various tasks, such as image and video synthesis. Latent diffusion models are typically trained using Variational Autoencoders (VAEs), interacting with VAE latents rather than the real samples. While this generative paradigm speeds up training and inference, the quality of the generated outputs is limited by the latents' quality. Traditional VAE latents are often seen as spatial compression in pixel space and lack explicit semantic representations, which are essential for modeling the real world. In this paper, we introduce ReaLS (Representation-Aligned Latent Space), which integrates semantic priors to improve generation performance. Extensive experiments show that fundamental DiT and SiT trained on ReaLS can achieve a 15% improvement in FID metric. Furthermore, the enhanced semantic latent space enables more perceptual downstream tasks, such as segmentation and depth estimation.

Comprehending 3D environments is vital for intelligent systems in domains like robotics and autonomous navigation. Voxel grids offer a structured representation of 3D space, but extracting high-level semantic meaning remains challenging. This paper proposes a novel approach utilizing a Vision-Language Model (VLM) to extract "voxel semantics"-object identity, color, and location-from voxel data. Critically, instead of employing complex 3D networks, our method processes the voxel space by systematically slicing it along a primary axis (e.g., the Z-axis, analogous to CT scan slices). These 2D slices are then formatted and sequentially fed into the image encoder of a standard VLM. The model learns to aggregate information across slices and correlate spatial patterns with semantic concepts provided by the language component. This slice-based strategy aims to leverage the power of pre-trained 2D VLMs for efficient 3D semantic understanding directly from voxel representations.

Context-based fine-tuning methods, including prompting, in-context learning, soft prompting (also known as prompt tuning), and prefix-tuning, have gained popularity due to their ability to often match the performance of full fine-tuning with a fraction of the parameters. Despite their empirical successes, there is little theoretical understanding of how these techniques influence the internal computation of the model and their expressiveness limitations. We show that despite the continuous embedding space being more expressive than the discrete token space, soft-prompting and prefix-tuning are strictly less expressive than full fine-tuning, even with the same number of learnable parameters. Concretely, context-based fine-tuning cannot change the relative attention pattern over the content and can only bias the outputs of an attention layer in a fixed direction. This suggests that while techniques like prompting, in-context learning, soft prompting, and prefix-tuning can effectively elicit skills present in the pretrained model, they cannot learn novel tasks that require new attention patterns.

Much of the previous work towards digital agents for graphical user interfaces (GUIs) has relied on text-based representations (derived from HTML or other structured data sources), which are not always readily available. These input representations have been often coupled with custom, task-specific action spaces. This paper focuses on creating agents that interact with the digital world using the same conceptual interface that humans commonly use -- via pixel-based screenshots and a generic action space corresponding to keyboard and mouse actions. Building upon recent progress in pixel-based pretraining, we show, for the first time, that it is possible for such agents to outperform human crowdworkers on the MiniWob++ benchmark of GUI-based instruction following tasks.

This paper presents a new exploration into a category of diffusion models built upon state space architecture. We endeavor to train diffusion models for image data, wherein the traditional U-Net backbone is supplanted by a state space backbone, functioning on raw patches or latent space. Given its notable efficacy in accommodating long-range dependencies, Diffusion State Space Models (DiS) are distinguished by treating all inputs including time, condition, and noisy image patches as tokens. Our assessment of DiS encompasses both unconditional and class-conditional image generation scenarios, revealing that DiS exhibits comparable, if not superior, performance to CNN-based or Transformer-based U-Net architectures of commensurate size. Furthermore, we analyze the scalability of DiS, gauged by the forward pass complexity quantified in Gflops. DiS models with higher Gflops, achieved through augmentation of depth/width or augmentation of input tokens, consistently demonstrate lower FID. In addition to demonstrating commendable scalability characteristics, DiS-H/2 models in latent space achieve performance levels akin to prior diffusion models on class-conditional ImageNet benchmarks at the resolution of 256times256 and 512times512, while significantly reducing the computational burden. The code and models are available at: https://github.com/feizc/DiS.

Mechanistic interpretability aims to understand the behavior of neural networks by reverse-engineering their internal computations. However, current methods struggle to find clear interpretations of neural network activations because a decomposition of activations into computational features is missing. Individual neurons or model components do not cleanly correspond to distinct features or functions. We present a novel interpretability method that aims to overcome this limitation by transforming the activations of the network into a new basis - the Local Interaction Basis (LIB). LIB aims to identify computational features by removing irrelevant activations and interactions. Our method drops irrelevant activation directions and aligns the basis with the singular vectors of the Jacobian matrix between adjacent layers. It also scales features based on their importance for downstream computation, producing an interaction graph that shows all computationally-relevant features and interactions in a model. We evaluate the effectiveness of LIB on modular addition and CIFAR-10 models, finding that it identifies more computationally-relevant features that interact more sparsely, compared to principal component analysis. However, LIB does not yield substantial improvements in interpretability or interaction sparsity when applied to language models. We conclude that LIB is a promising theory-driven approach for analyzing neural networks, but in its current form is not applicable to large language models.

Large pre-trained models, or foundation models, have shown impressive performance when adapted to a variety of downstream tasks, often out-performing specialized models. Hypernetworks, neural networks that generate some or all of the parameters of another neural network, have become an increasingly important technique for conditioning and generalizing implicit neural representations (INRs), which represent signals or objects such as audio or 3D shapes using a neural network. However, despite the potential benefits of incorporating foundation models in hypernetwork methods, this research direction has not been investigated, likely due to the dissimilarity of the weight generation task with other visual tasks. To address this gap, we (1) show how foundation models can improve hypernetworks with Transformer-based architectures, (2) provide an empirical analysis of the benefits of foundation models for hypernetworks through the lens of the generalizable INR task, showing that leveraging foundation models improves performance, generalizability, and data efficiency across a variety of algorithms and modalities. We also provide further analysis in examining the design space of foundation model-based hypernetworks, including examining the choice of foundation models, algorithms, and the effect of scaling foundation models.

The deep neural nets of modern artificial intelligence (AI) have not achieved defining features of biological intelligence, including abstraction, causal learning, and energy-efficiency. While scaling to larger models has delivered performance improvements for current applications, more brain-like capacities may demand new theories, models, and methods for designing artificial learning systems. Here, we argue that this opportunity to reassess insights from the brain should stimulate cooperation between AI research and theory-driven computational neuroscience (CN). To motivate a brain basis of neural computation, we present a dynamical view of intelligence from which we elaborate concepts of sparsity in network structure, temporal dynamics, and interactive learning. In particular, we suggest that temporal dynamics, as expressed through neural synchrony, nested oscillations, and flexible sequences, provide a rich computational layer for reading and updating hierarchical models distributed in long-term memory networks. Moreover, embracing agent-centered paradigms in AI and CN will accelerate our understanding of the complex dynamics and behaviors that build useful world models. A convergence of AI/CN theories and objectives will reveal dynamical principles of intelligence for brains and engineered learning systems. This article was inspired by our symposium on dynamical neuroscience and machine learning at the 6th Annual US/NIH BRAIN Initiative Investigators Meeting.

Understanding the hidden mechanisms behind human's visual perception is a fundamental question in neuroscience. To that end, investigating into the neural responses of human mind activities, such as functional Magnetic Resonance Imaging (fMRI), has been a significant research vehicle. However, analyzing fMRI signals is challenging, costly, daunting, and demanding for professional training. Despite remarkable progress in fMRI analysis, existing approaches are limited to generating 2D images and far away from being biologically meaningful and practically useful. Under this insight, we propose to generate visually plausible and functionally more comprehensive 3D outputs decoded from brain signals, enabling more sophisticated modeling of fMRI data. Conceptually, we reformulate this task as a {\em fMRI conditioned 3D object generation} problem. We design a novel 3D object representation learning method, Brain3D, that takes as input the fMRI data of a subject who was presented with a 2D image, and yields as output the corresponding 3D object images. The key capabilities of this model include tackling the noises with high-level semantic signals and a two-stage architecture design for progressive high-level information integration. Extensive experiments validate the superior capability of our model over previous state-of-the-art 3D object generation methods. Importantly, we show that our model captures the distinct functionalities of each region of human vision system as well as their intricate interplay relationships, aligning remarkably with the established discoveries in neuroscience. Further, preliminary evaluations indicate that Brain3D can successfully identify the disordered brain regions in simulated scenarios, such as V1, V2, V3, V4, and the medial temporal lobe (MTL) within the human visual system. Our data and code will be available at https://brain-3d.github.io/.

The extraction of modular object-centric representations for downstream tasks is an emerging area of research. Learning grounded representations of objects that are guaranteed to be stable and invariant promises robust performance across different tasks and environments. Slot Attention (SA) learns object-centric representations by assigning objects to slots, but presupposes a single distribution from which all slots are randomly initialised. This results in an inability to learn specialized slots which bind to specific object types and remain invariant to identity-preserving changes in object appearance. To address this, we present \textsc{Conditional Slot Attention} (CoSA) using a novel concept of Grounded Slot Dictionary (GSD) inspired by vector quantization. Our proposed GSD comprises (i) canonical object-level property vectors and (ii) parametric Gaussian distributions, which define a prior over the slots. We demonstrate the benefits of our method in multiple downstream tasks such as scene generation, composition, and task adaptation, whilst remaining competitive with SA in popular object discovery benchmarks.

Generative models have been very popular in the recent years for their image generation capabilities. GAN-based models are highly regarded for their disentangled latent space, which is a key feature contributing to their success in controlled image editing. On the other hand, diffusion models have emerged as powerful tools for generating high-quality images. However, the latent space of diffusion models is not as thoroughly explored or understood. Existing methods that aim to explore the latent space of diffusion models usually relies on text prompts to pinpoint specific semantics. However, this approach may be restrictive in areas such as art, fashion, or specialized fields like medicine, where suitable text prompts might not be available or easy to conceive thus limiting the scope of existing work. In this paper, we propose an unsupervised method to discover latent semantics in text-to-image diffusion models without relying on text prompts. Our method takes a small set of unlabeled images from specific domains, such as faces or cats, and a pre-trained diffusion model, and discovers diverse semantics in unsupervised fashion using a contrastive learning objective. Moreover, the learned directions can be applied simultaneously, either within the same domain (such as various types of facial edits) or across different domains (such as applying cat and face edits within the same image) without interfering with each other. Our extensive experiments show that our method achieves highly disentangled edits, outperforming existing approaches in both diffusion-based and GAN-based latent space editing methods.

We introduce a novel state-space architecture for diffusion models, effectively harnessing spatial and frequency information to enhance the inductive bias towards local features in input images for image generation tasks. While state-space networks, including Mamba, a revolutionary advancement in recurrent neural networks, typically scan input sequences from left to right, they face difficulties in designing effective scanning strategies, especially in the processing of image data. Our method demonstrates that integrating wavelet transformation into Mamba enhances the local structure awareness of visual inputs and better captures long-range relations of frequencies by disentangling them into wavelet subbands, representing both low- and high-frequency components. These wavelet-based outputs are then processed and seamlessly fused with the original Mamba outputs through a cross-attention fusion layer, combining both spatial and frequency information to optimize the order awareness of state-space models which is essential for the details and overall quality of image generation. Besides, we introduce a globally-shared transformer to supercharge the performance of Mamba, harnessing its exceptional power to capture global relationships. Through extensive experiments on standard benchmarks, our method demonstrates superior results compared to DiT and DIFFUSSM, achieving faster training convergence and delivering high-quality outputs. The codes and pretrained models are released at https://github.com/VinAIResearch/DiMSUM.git.

In-context learning is a powerful emergent ability in transformer models. Prior work in mechanistic interpretability has identified a circuit element that may be critical for in-context learning -- the induction head (IH), which performs a match-and-copy operation. During training of large transformers on natural language data, IHs emerge around the same time as a notable phase change in the loss. Despite the robust evidence for IHs and this interesting coincidence with the phase change, relatively little is known about the diversity and emergence dynamics of IHs. Why is there more than one IH, and how are they dependent on each other? Why do IHs appear all of a sudden, and what are the subcircuits that enable them to emerge? We answer these questions by studying IH emergence dynamics in a controlled setting by training on synthetic data. In doing so, we develop and share a novel optogenetics-inspired causal framework for modifying activations throughout training. Using this framework, we delineate the diverse and additive nature of IHs. By clamping subsets of activations throughout training, we then identify three underlying subcircuits that interact to drive IH formation, yielding the phase change. Furthermore, these subcircuits shed light on data-dependent properties of formation, such as phase change timing, already showing the promise of this more in-depth understanding of subcircuits that need to "go right" for an induction head.

The versatility of diffusion models in generating customized images from few samples raises significant privacy concerns, particularly regarding unauthorized modifications of private content. This concerning issue has renewed the efforts in developing protection mechanisms based on adversarial attacks, which generate effective perturbations to poison diffusion models. Our work is motivated by the observation that these models exhibit a high degree of abstraction within their semantic latent space (`h-space'), which encodes critical high-level features for generating coherent and meaningful content. In this paper, we propose a novel anti-customization approach, called HAAD (h-space based Adversarial Attack for Diffusion models), that leverages adversarial attacks to craft perturbations based on the h-space that can efficiently degrade the image generation process. Building upon HAAD, we further introduce a more efficient variant, HAAD-KV, that constructs perturbations solely based on the KV parameters of the h-space. This strategy offers a stronger protection, that is computationally less expensive. Despite their simplicity, our methods outperform state-of-the-art adversarial attacks, highlighting their effectiveness.

Autoencoders have been proposed as a powerful tool for model-independent anomaly detection in high-energy physics. The operating principle is that events which do not belong to the space of training data will be reconstructed poorly, thus flagging them as anomalies. We point out that in a variety of examples of interest, the connection between large reconstruction error and anomalies is not so clear. In particular, for data sets with nontrivial topology, there will always be points that erroneously seem anomalous due to global issues. Conversely, neural networks typically have an inductive bias or prior to locally interpolate such that undersampled or rare events may be reconstructed with small error, despite actually being the desired anomalies. Taken together, these facts are in tension with the simple picture of the autoencoder as an anomaly detector. Using a series of illustrative low-dimensional examples, we show explicitly how the intrinsic and extrinsic topology of the dataset affects the behavior of an autoencoder and how this topology is manifested in the latent space representation during training. We ground this analysis in the discussion of a mock "bump hunt" in which the autoencoder fails to identify an anomalous "signal" for reasons tied to the intrinsic topology of n-particle phase space.

Multimodal functional neuroimaging enables systematic analysis of brain mechanisms and provides discriminative representations for brain-computer interface (BCI) decoding. However, its acquisition is constrained by high costs and feasibility limitations. Moreover, underrepresentation of specific groups undermines fairness of BCI decoding model. To address these challenges, we propose a unified representation framework for multimodal functional neuroimaging via generative artificial intelligence (AI). By mapping multimodal functional neuroimaging into a unified representation space, the proposed framework is capable of generating data for acquisition-constrained modalities and underrepresented groups. Experiments show that the framework can generate data consistent with real brain activity patterns, provide insights into brain mechanisms, and improve performance on downstream tasks. More importantly, it can enhance model fairness by augmenting data for underrepresented groups. Overall, the framework offers a new paradigm for decreasing the cost of acquiring multimodal functional neuroimages and enhancing the fairness of BCI decoding models.

Understanding how the brain represents visual information is a fundamental challenge in neuroscience and artificial intelligence. While AI-driven decoding of neural data has provided insights into the human visual system, integrating multimodal neuroimaging signals, such as EEG, MEG, and fMRI, remains a critical hurdle due to their inherent spatiotemporal misalignment. Current approaches often analyze these modalities in isolation, limiting a holistic view of neural representation. In this study, we introduce BrainFLORA, a unified framework for integrating cross-modal neuroimaging data to construct a shared neural representation. Our approach leverages multimodal large language models (MLLMs) augmented with modality-specific adapters and task decoders, achieving state-of-the-art performance in joint-subject visual retrieval task and has the potential to extend multitasking. Combining neuroimaging analysis methods, we further reveal how visual concept representations align across neural modalities and with real world object perception. We demonstrate that the brain's structured visual concept representations exhibit an implicit mapping to physical-world stimuli, bridging neuroscience and machine learning from different modalities of neural imaging. Beyond methodological advancements, BrainFLORA offers novel implications for cognitive neuroscience and brain-computer interfaces (BCIs). Our code is available at https://github.com/ncclab-sustech/BrainFLORA.

Integrated Information Theory (IIT) provides a quantitative framework for explaining consciousness phenomenon, positing that conscious systems comprise elements integrated through causal properties. We apply IIT 3.0 and 4.0 -- the latest iterations of this framework -- to sequences of Large Language Model (LLM) representations, analyzing data derived from existing Theory of Mind (ToM) test results. Our study systematically investigates whether the differences of ToM test performances, when presented in the LLM representations, can be revealed by IIT estimates, i.e., Phi^{max} (IIT 3.0), Phi (IIT 4.0), Conceptual Information (IIT 3.0), and Phi-structure (IIT 4.0). Furthermore, we compare these metrics with the Span Representations independent of any estimate for consciousness. This additional effort aims to differentiate between potential "consciousness" phenomena and inherent separations within LLM representational space. We conduct comprehensive experiments examining variations across LLM transformer layers and linguistic spans from stimuli. Our results suggest that sequences of contemporary Transformer-based LLM representations lack statistically significant indicators of observed "consciousness" phenomena but exhibit intriguing patterns under spatio-permutational analyses. The Appendix and code are available as Supplementary Materials at: https://doi.org/10.1016/j.nlp.2025.100163.

Reasoning about motion and space is a fundamental cognitive capability that is required by multiple real-world applications. While many studies highlight that large multimodal language models (MLMs) struggle to reason about space, they only focus on static spatial relationships, and not dynamic awareness of motion and space, i.e., reasoning about the effect of egocentric and object motions on spatial relationships. Manually annotating such object and camera movements is expensive. Hence, we introduce SAT, a simulated spatial aptitude training dataset comprising both static and dynamic spatial reasoning across 175K question-answer (QA) pairs and 20K scenes. Complementing this, we also construct a small (150 image-QAs) yet challenging dynamic spatial test set using real-world images. Leveraging our SAT datasets and 6 existing static spatial benchmarks, we systematically investigate what improves both static and dynamic spatial awareness. Our results reveal that simulations are surprisingly effective at imparting spatial aptitude to MLMs that translate to real images. We show that perfect annotations in simulation are more effective than existing approaches of pseudo-annotating real images. For instance, SAT training improves a LLaVA-13B model by an average 11% and a LLaVA-Video-7B model by an average 8% on multiple spatial benchmarks, including our real-image dynamic test set and spatial reasoning on long videos -- even outperforming some large proprietary models. While reasoning over static relationships improves with synthetic training data, there is still considerable room for improvement for dynamic reasoning questions.

We present the Mixture-of-Tunable-Experts (MoTE), a method that extends the Mixture-of-Experts architecture of Large Language Models (LLMs). Without additional training, MoTE enables meaningful and focused behavior changes in LLMs on-the-fly during inference time. By analyzing the digital LLM brain of DeepSeek-R1 using a technique we dub 'functional Token Resonance Imaging' (fTRI) -- inspired by fMRI and using prompts designed to elicit specific behavior (e.g., 'What happened {time}{place}?') -- we empirically identify distinctive experts associated with behaviors like refusal responses. Using MoTE we are able to intervene and control such specific behavior. We switched off the top 10 most refusal-relevant experts (0.07% of R1's 14,848 routed experts), achieving a 52% refusal reduction on sensitive reference prompts without performance degradation on MT-Bench. Random expert deactivation resulted in smaller behavioral shifts with increased noise, whereas forced expert activation led to significantly higher refusal rates. Our approach shares similarities with sparse autoencoders (SAEs) in terms of explainability and steerability. Unlike SAEs, MoTE does not require large training efforts, as within MoEs with a vast number of experts, specialization already emerged naturally during pretraining. Our findings suggest that significant functional mechanisms in Mixture-of-Experts architectures can at least partially be localized in a small number of specific experts, rather than being distributed throughout the model's weights. Expert subgroups can be tuned to trigger significant behavior variations, providing insights into the inner workings of LLMs.

State-Space Models (SSMs) have recently emerged as a powerful and efficient alternative to the long-standing transformer architecture. However, existing SSM conceptualizations retain deeply rooted biases from their roots in natural language processing. This constrains their ability to appropriately model the spatially-dependent characteristics of visual inputs. In this paper, we address these limitations by re-deriving modern selective state-space techniques, starting from a natively multidimensional formulation. Currently, prior works attempt to apply natively 1D SSMs to 2D data (i.e. images) by relying on arbitrary combinations of 1D scan directions to capture spatial dependencies. In contrast, Mamba2D improves upon this with a single 2D scan direction that factors in both dimensions of the input natively, effectively modelling spatial dependencies when constructing hidden states. Mamba2D shows comparable performance to prior adaptations of SSMs for vision tasks, on standard image classification evaluations with the ImageNet-1K dataset. Source code is available at https://github.com/cocoalex00/Mamba2D.

The human brain is a complex, dynamic network, which is commonly studied using functional magnetic resonance imaging (fMRI) and modeled as network of Regions of interest (ROIs) for understanding various brain functions. Recent studies utilize deep learning approaches to learn the brain network representation based on functional connectivity (FC) profile, broadly falling into two main categories. The Fixed-FC approaches, utilizing the FC profile which represents the linear temporal relation within the brain network, are limited by failing to capture informative brain temporal dynamics. On the other hand, the Dynamic-FC approaches, modeling the evolving FC profile over time, often exhibit less satisfactory performance due to challenges in handling the inherent noisy nature of fMRI data. To address these challenges, we propose Brain Masked Auto-Encoder (BrainMAE) for learning representations directly from fMRI time-series data. Our approach incorporates two essential components: a region-aware graph attention mechanism designed to capture the relationships between different brain ROIs, and a novel self-supervised masked autoencoding framework for effective model pre-training. These components enable the model to capture rich temporal dynamics of brain activity while maintaining resilience to inherent noise in fMRI data. Our experiments demonstrate that BrainMAE consistently outperforms established baseline methods by significant margins in four distinct downstream tasks. Finally, leveraging the model's inherent interpretability, our analysis of model-generated representations reveals findings that resonate with ongoing research in the field of neuroscience.

Sparse autoencoders (SAEs) are a promising technique for decomposing language model activations into interpretable linear features. However, current SAEs fall short of completely explaining model performance, resulting in "dark matter": unexplained variance in activations. This work investigates dark matter as an object of study in its own right. Surprisingly, we find that much of SAE dark matter--about half of the error vector itself and >90% of its norm--can be linearly predicted from the initial activation vector. Additionally, we find that the scaling behavior of SAE error norms at a per token level is remarkably predictable: larger SAEs mostly struggle to reconstruct the same contexts as smaller SAEs. We build on the linear representation hypothesis to propose models of activations that might lead to these observations, including postulating a new type of "introduced error"; these insights imply that the part of the SAE error vector that cannot be linearly predicted ("nonlinear" error) might be fundamentally different from the linearly predictable component. To validate this hypothesis, we empirically analyze nonlinear SAE error and show that 1) it contains fewer not yet learned features, 2) SAEs trained on it are quantitatively worse, 3) it helps predict SAE per-token scaling behavior, and 4) it is responsible for a proportional amount of the downstream increase in cross entropy loss when SAE activations are inserted into the model. Finally, we examine two methods to reduce nonlinear SAE error at a fixed sparsity: inference time gradient pursuit, which leads to a very slight decrease in nonlinear error, and linear transformations from earlier layer SAE outputs, which leads to a larger reduction.

We present a dataset of large-scale indoor spaces that provides a variety of mutually registered modalities from 2D, 2.5D and 3D domains, with instance-level semantic and geometric annotations. The dataset covers over 6,000m2 and contains over 70,000 RGB images, along with the corresponding depths, surface normals, semantic annotations, global XYZ images (all in forms of both regular and 360{\deg} equirectangular images) as well as camera information. It also includes registered raw and semantically annotated 3D meshes and point clouds. The dataset enables development of joint and cross-modal learning models and potentially unsupervised approaches utilizing the regularities present in large-scale indoor spaces. The dataset is available here: http://3Dsemantics.stanford.edu/

The activation function plays a crucial role in model optimisation, yet the optimal choice remains unclear. For example, the Sigmoid activation is the de-facto activation in balanced classification tasks, however, in imbalanced classification, it proves inappropriate due to bias towards frequent classes. In this work, we delve deeper in this phenomenon by performing a comprehensive statistical analysis in the classification and intermediate layers of both balanced and imbalanced networks and we empirically show that aligning the activation function with the data distribution, enhances the performance in both balanced and imbalanced tasks. To this end, we propose the Adaptive Parametric Activation (APA) function, a novel and versatile activation function that unifies most common activation functions under a single formula. APA can be applied in both intermediate layers and attention layers, significantly outperforming the state-of-the-art on several imbalanced benchmarks such as ImageNet-LT, iNaturalist2018, Places-LT, CIFAR100-LT and LVIS and balanced benchmarks such as ImageNet1K, COCO and V3DET. The code is available at https://github.com/kostas1515/AGLU.

Spatial confounding poses a significant challenge in scientific studies involving spatial data, where unobserved spatial variables can influence both treatment and outcome, possibly leading to spurious associations. To address this problem, we introduce SpaCE: The Spatial Confounding Environment, the first toolkit to provide realistic benchmark datasets and tools for systematically evaluating causal inference methods designed to alleviate spatial confounding. Each dataset includes training data, true counterfactuals, a spatial graph with coordinates, and smoothness and confounding scores characterizing the effect of a missing spatial confounder. It also includes realistic semi-synthetic outcomes and counterfactuals, generated using state-of-the-art machine learning ensembles, following best practices for causal inference benchmarks. The datasets cover real treatment and covariates from diverse domains, including climate, health and social sciences. SpaCE facilitates an automated end-to-end pipeline, simplifying data loading, experimental setup, and evaluating machine learning and causal inference models. The SpaCE project provides several dozens of datasets of diverse sizes and spatial complexity. It is publicly available as a Python package, encouraging community feedback and contributions.

This position paper explores the rapid development of Foundation Models (FMs) in AI and their implications for intelligence and reasoning. It examines the characteristics of FMs, including their training on vast datasets and use of embedding spaces to capture semantic relationships. The paper discusses recent advancements in FMs' reasoning abilities which we argue cannot be attributed to increased model size but to novel training techniques which yield learning phenomena like grokking. It also addresses the challenges in benchmarking FMs and compares their structure to the human brain. We argue that while FMs show promising developments in reasoning and knowledge representation, understanding their inner workings remains a significant challenge, similar to ongoing efforts in neuroscience to comprehend human brain function. Despite having some similarities, fundamental differences between FMs and the structure of human brain warn us against making direct comparisons or expecting neuroscience to provide immediate insights into FM function.

Sparse Autoencoders (SAEs) have been proposed as an unsupervised approach to learn a decomposition of a model's latent space. This enables useful applications such as steering - influencing the output of a model towards a desired concept - without requiring labeled data. Current methods identify SAE features to steer by analyzing the input tokens that activate them. However, recent work has highlighted that activations alone do not fully describe the effect of a feature on the model's output. In this work, we draw a distinction between two types of features: input features, which mainly capture patterns in the model's input, and output features, which have a human-understandable effect on the model's output. We propose input and output scores to characterize and locate these types of features, and show that high values for both scores rarely co-occur in the same features. These findings have practical implications: after filtering out features with low output scores, we obtain 2-3x improvements when steering with SAEs, making them competitive with supervised methods.

Despite the remarkable success of deep neural networks in a myriad of settings, several works have demonstrated their overwhelming sensitivity to near-imperceptible perturbations, known as adversarial attacks. On the other hand, prior works have also observed that deep networks can be under-sensitive, wherein large-magnitude perturbations in input space do not induce appreciable changes to network activations. In this work, we study in detail the phenomenon of under-sensitivity in vision models such as CNNs and Transformers, and present techniques to study the geometry and extent of "equi-confidence" level sets of such networks. We propose a Level Set Traversal algorithm that iteratively explores regions of high confidence with respect to the input space using orthogonal components of the local gradients. Given a source image, we use this algorithm to identify inputs that lie in the same equi-confidence level set as the source image despite being perceptually similar to arbitrary images from other classes. We further observe that the source image is linearly connected by a high-confidence path to these inputs, uncovering a star-like structure for level sets of deep networks. Furthermore, we attempt to identify and estimate the extent of these connected higher-dimensional regions over which the model maintains a high degree of confidence. The code for this project is publicly available at https://github.com/SriramB-98/blindspots-neurips-sub

Alignment is no longer a luxury, it is a necessity. As large language models (LLMs) enter high-stakes domains like education, healthcare, governance, and law, their behavior must reliably reflect human-aligned values and safety constraints. Yet current evaluations rely heavily on behavioral proxies such as refusal rates, G-Eval scores, and toxicity classifiers, all of which have critical blind spots. Aligned models are often vulnerable to jailbreaking, stochasticity of generation, and alignment faking. To address this issue, we introduce the Alignment Quality Index (AQI). This novel geometric and prompt-invariant metric empirically assesses LLM alignment by analyzing the separation of safe and unsafe activations in latent space. By combining measures such as the Davies-Bouldin Score (DBS), Dunn Index (DI), Xie-Beni Index (XBI), and Calinski-Harabasz Index (CHI) across various formulations, AQI captures clustering quality to detect hidden misalignments and jailbreak risks, even when outputs appear compliant. AQI also serves as an early warning signal for alignment faking, offering a robust, decoding invariant tool for behavior agnostic safety auditing. Additionally, we propose the LITMUS dataset to facilitate robust evaluation under these challenging conditions. Empirical tests on LITMUS across different models trained under DPO, GRPO, and RLHF conditions demonstrate AQI's correlation with external judges and ability to reveal vulnerabilities missed by refusal metrics. We make our implementation publicly available to foster future research in this area.

We investigate the mechanism underlying a previously identified phenomenon in Vision Transformers -- the emergence of high-norm tokens that lead to noisy attention maps. We observe that in multiple models (e.g., CLIP, DINOv2), a sparse set of neurons is responsible for concentrating high-norm activations on outlier tokens, leading to irregular attention patterns and degrading downstream visual processing. While the existing solution for removing these outliers involves retraining models from scratch with additional learned register tokens, we use our findings to create a training-free approach to mitigate these artifacts. By shifting the high-norm activations from our discovered register neurons into an additional untrained token, we can mimic the effect of register tokens on a model already trained without registers. We demonstrate that our method produces cleaner attention and feature maps, enhances performance over base models across multiple downstream visual tasks, and achieves results comparable to models explicitly trained with register tokens. We then extend test-time registers to off-the-shelf vision-language models to improve their interpretability. Our results suggest that test-time registers effectively take on the role of register tokens at test-time, offering a training-free solution for any pre-trained model released without them.

Pruning assumes a subnetwork exists in the original deep neural network, which can achieve comparative model performance with less computation than the original. However, it is unclear how the model performance varies with the different subnetwork extractions. In this paper, we choose the representation dimension (or embedding dimension, model dimension, the dimension of the residual stream in the relevant literature) as the entry point to this issue. We investigate the linear transformations in the LLM transformer blocks and consider a specific structured pruning approach, SliceGPT, to extract the subnetworks of different representation dimensions. We mechanistically analyse the activation flow during the model forward passes, and find the representation dimension dominates the linear transformations, model predictions, and, finally, the model performance. Explicit analytical relations are given to calculate the pruned model performance (perplexity and accuracy) without actual evaluation, and are empirically validated with Llama-3-8B-Instruct and Phi-3-mini-4k-Instruct.

The capabilities of large language models (LLMs) have sparked debate over whether such systems just learn an enormous collection of superficial statistics or a coherent model of the data generating process -- a world model. We find evidence for the latter by analyzing the learned representations of three spatial datasets (world, US, NYC places) and three temporal datasets (historical figures, artworks, news headlines) in the Llama-2 family of models. We discover that LLMs learn linear representations of space and time across multiple scales. These representations are robust to prompting variations and unified across different entity types (e.g. cities and landmarks). In addition, we identify individual ``space neurons'' and ``time neurons'' that reliably encode spatial and temporal coordinates. Our analysis demonstrates that modern LLMs acquire structured knowledge about fundamental dimensions such as space and time, supporting the view that they learn not merely superficial statistics, but literal world models.

This paper describes a novel nonparametric model for modeling diffusion MRI signals in q-space. In q-space, diffusion MRI signal is measured for a sequence of magnetic strengths (b-values) and magnetic gradient directions (b-vectors). We propose a Poly-RBF model, which employs a bidirectional framework with polynomial bases to model the signal along the b-value direction and Gaussian radial bases across the b-vectors. The model can accommodate sparse data on b-values and moderately dense data on b-vectors. The utility of Poly-RBF is inspected for two applications: 1) prediction of the dMRI signal, and 2) harmonization of dMRI data collected under different acquisition protocols with different scanners. Our results indicate that the proposed Poly-RBF model can more accurately predict the unmeasured diffusion signal than its competitors such as the Gaussian process model in {\tt Eddy} of FSL. Applying it to harmonizing the diffusion signal can significantly improve the reproducibility of derived white matter microstructure measures.

Human brains respond to semantic features of presented stimuli with different neurons. It is then curious whether modern deep neural networks admit a similar behavior pattern. Specifically, this paper finds a small cluster of neurons in a diffusion model corresponding to a particular subject. We call those neurons the concept neurons. They can be identified by statistics of network gradients to a stimulation connected with the given subject. The concept neurons demonstrate magnetic properties in interpreting and manipulating generation results. Shutting them can directly yield the related subject contextualized in different scenes. Concatenating multiple clusters of concept neurons can vividly generate all related concepts in a single image. A few steps of further fine-tuning can enhance the multi-concept capability, which may be the first to manage to generate up to four different subjects in a single image. For large-scale applications, the concept neurons are environmentally friendly as we only need to store a sparse cluster of int index instead of dense float32 values of the parameters, which reduces storage consumption by 90\% compared with previous subject-driven generation methods. Extensive qualitative and quantitative studies on diverse scenarios show the superiority of our method in interpreting and manipulating diffusion models.

We present SliderSpace, a framework for automatically decomposing the visual capabilities of diffusion models into controllable and human-understandable directions. Unlike existing control methods that require a user to specify attributes for each edit direction individually, SliderSpace discovers multiple interpretable and diverse directions simultaneously from a single text prompt. Each direction is trained as a low-rank adaptor, enabling compositional control and the discovery of surprising possibilities in the model's latent space. Through extensive experiments on state-of-the-art diffusion models, we demonstrate SliderSpace's effectiveness across three applications: concept decomposition, artistic style exploration, and diversity enhancement. Our quantitative evaluation shows that SliderSpace-discovered directions decompose the visual structure of model's knowledge effectively, offering insights into the latent capabilities encoded within diffusion models. User studies further validate that our method produces more diverse and useful variations compared to baselines. Our code, data and trained weights are available at https://sliderspace.baulab.info

The ability to control for the kinds of information encoded in neural representation has a variety of use cases, especially in light of the challenge of interpreting these models. We present Iterative Null-space Projection (INLP), a novel method for removing information from neural representations. Our method is based on repeated training of linear classifiers that predict a certain property we aim to remove, followed by projection of the representations on their null-space. By doing so, the classifiers become oblivious to that target property, making it hard to linearly separate the data according to it. While applicable for multiple uses, we evaluate our method on bias and fairness use-cases, and show that our method is able to mitigate bias in word embeddings, as well as to increase fairness in a setting of multi-class classification.

Given appropriate representations of the semantic relations between carpenter and wood and between mason and stone (for example, vectors in a vector space model), a suitable algorithm should be able to recognize that these relations are highly similar (carpenter is to wood as mason is to stone; the relations are analogous). Likewise, with representations of dog, house, and kennel, an algorithm should be able to recognize that the semantic composition of dog and house, dog house, is highly similar to kennel (dog house and kennel are synonymous). It seems that these two tasks, recognizing relations and compositions, are closely connected. However, up to now, the best models for relations are significantly different from the best models for compositions. In this paper, we introduce a dual-space model that unifies these two tasks. This model matches the performance of the best previous models for relations and compositions. The dual-space model consists of a space for measuring domain similarity and a space for measuring function similarity. Carpenter and wood share the same domain, the domain of carpentry. Mason and stone share the same domain, the domain of masonry. Carpenter and mason share the same function, the function of artisans. Wood and stone share the same function, the function of materials. In the composition dog house, kennel has some domain overlap with both dog and house (the domains of pets and buildings). The function of kennel is similar to the function of house (the function of shelters). By combining domain and function similarities in various ways, we can model relations, compositions, and other aspects of semantics.

We present a unified representation of the most popular neural network activation functions. Adopting Mittag-Leffler functions of fractional calculus, we propose a flexible and compact functional form that is able to interpolate between various activation functions and mitigate common problems in training neural networks such as vanishing and exploding gradients. The presented gated representation extends the scope of fixed-shape activation functions to their adaptive counterparts whose shape can be learnt from the training data. The derivatives of the proposed functional form can also be expressed in terms of Mittag-Leffler functions making it a suitable candidate for gradient-based backpropagation algorithms. By training multiple neural networks of different complexities on various datasets with different sizes, we demonstrate that adopting a unified gated representation of activation functions offers a promising and affordable alternative to individual built-in implementations of activation functions in conventional machine learning frameworks.

Functional magnetic resonance imaging (fMRI) is an indispensable tool in modern neuroscience, providing a non-invasive window into whole-brain dynamics at millimeter-scale spatial resolution. However, fMRI is constrained by issues such as high operation costs and immobility. With the rapid advancements in cross-modality synthesis and brain decoding, the use of deep neural networks has emerged as a promising solution for inferring whole-brain, high-resolution fMRI features directly from electroencephalography (EEG), a more widely accessible and portable neuroimaging modality. Nonetheless, the complex projection from neural activity to fMRI hemodynamic responses and the spatial ambiguity of EEG pose substantial challenges both in modeling and interpretability. Relatively few studies to date have developed approaches for EEG-fMRI translation, and although they have made significant strides, the inference of fMRI signals in a given study has been limited to a small set of brain areas and to a single condition (i.e., either resting-state or a specific task). The capability to predict fMRI signals in other brain areas, as well as to generalize across conditions, remain critical gaps in the field. To tackle these challenges, we introduce a novel and generalizable framework: NeuroBOLT, i.e., Neuro-to-BOLD Transformer, which leverages multi-dimensional representation learning from temporal, spatial, and spectral domains to translate raw EEG data to the corresponding fMRI activity signals across the brain. Our experiments demonstrate that NeuroBOLT effectively reconstructs unseen resting-state fMRI signals from primary sensory, high-level cognitive areas, and deep subcortical brain regions, achieving state-of-the-art accuracy with the potential to generalize across varying conditions and sites, which significantly advances the integration of these two modalities.

Inducing and leveraging sparse activations during training and inference is a promising avenue for improving the computational efficiency of deep networks, which is increasingly important as network sizes continue to grow and their application becomes more widespread. Here we use the large width Gaussian process limit to analyze the behaviour, at random initialization, of nonlinear activations that induce sparsity in the hidden outputs. A previously unreported form of training instability is proven for arguably two of the most natural candidates for hidden layer sparsification; those being a shifted ReLU (phi(x)=max(0, x-tau) for tauge 0) and soft thresholding (phi(x)=0 for |x|letau and x-sign(x)tau for |x|>tau). We show that this instability is overcome by clipping the nonlinear activation magnitude, at a level prescribed by the shape of the associated Gaussian process variance map. Numerical experiments verify the theory and show that the proposed magnitude clipped sparsifying activations can be trained with training and test fractional sparsity as high as 85\% while retaining close to full accuracy.

We explore a class of adversarial attacks targeting the activations of language models. By manipulating a relatively small subset of model activations, a, we demonstrate the ability to control the exact prediction of a significant number (in some cases up to 1000) of subsequent tokens t. We empirically verify a scaling law where the maximum number of target tokens t_max predicted depends linearly on the number of tokens a whose activations the attacker controls as t_max = kappa a. We find that the number of bits of control in the input space needed to control a single bit in the output space (what we call attack resistance chi) is remarkably constant between approx 16 and approx 25 over 2 orders of magnitude of model sizes for different language models. Compared to attacks on tokens, attacks on activations are predictably much stronger, however, we identify a surprising regularity where one bit of input steered either via activations or via tokens is able to exert control over a similar amount of output bits. This gives support for the hypothesis that adversarial attacks are a consequence of dimensionality mismatch between the input and output spaces. A practical implication of the ease of attacking language model activations instead of tokens is for multi-modal and selected retrieval models, where additional data sources are added as activations directly, sidestepping the tokenized input. This opens up a new, broad attack surface. By using language models as a controllable test-bed to study adversarial attacks, we were able to experiment with input-output dimensions that are inaccessible in computer vision, especially where the output dimension dominates.

We introduce Brain-JEPA, a brain dynamics foundation model with the Joint-Embedding Predictive Architecture (JEPA). This pioneering model achieves state-of-the-art performance in demographic prediction, disease diagnosis/prognosis, and trait prediction through fine-tuning. Furthermore, it excels in off-the-shelf evaluations (e.g., linear probing) and demonstrates superior generalizability across different ethnic groups, surpassing the previous large model for brain activity significantly. Brain-JEPA incorporates two innovative techniques: Brain Gradient Positioning and Spatiotemporal Masking. Brain Gradient Positioning introduces a functional coordinate system for brain functional parcellation, enhancing the positional encoding of different Regions of Interest (ROIs). Spatiotemporal Masking, tailored to the unique characteristics of fMRI data, addresses the challenge of heterogeneous time-series patches. These methodologies enhance model performance and advance our understanding of the neural circuits underlying cognition. Overall, Brain-JEPA is paving the way to address pivotal questions of building brain functional coordinate system and masking brain activity at the AI-neuroscience interface, and setting a potentially new paradigm in brain activity analysis through downstream adaptation.

Sequence modeling plays a vital role across various domains, with recurrent neural networks being historically the predominant method of performing these tasks. However, the emergence of transformers has altered this paradigm due to their superior performance. Built upon these advances, transformers have conjoined CNNs as two leading foundational models for learning visual representations. However, transformers are hindered by the O(N^2) complexity of their attention mechanisms, while CNNs lack global receptive fields and dynamic weight allocation. State Space Models (SSMs), specifically the \textbf{Mamba} model with selection mechanisms and hardware-aware architecture, have garnered immense interest lately in sequential modeling and visual representation learning, challenging the dominance of transformers by providing infinite context lengths and offering substantial efficiency maintaining linear complexity in the input sequence. Capitalizing on the advances in computer vision, medical imaging has heralded a new epoch with Mamba models. Intending to help researchers navigate the surge, this survey seeks to offer an encyclopedic review of Mamba models in medical imaging. Specifically, we start with a comprehensive theoretical review forming the basis of SSMs, including Mamba architecture and its alternatives for sequence modeling paradigms in this context. Next, we offer a structured classification of Mamba models in the medical field and introduce a diverse categorization scheme based on their application, imaging modalities, and targeted organs. Finally, we summarize key challenges, discuss different future research directions of the SSMs in the medical domain, and propose several directions to fulfill the demands of this field. In addition, we have compiled the studies discussed in this paper along with their open-source implementations on our GitHub repository.

Decomposing model activations into interpretable components is a key open problem in mechanistic interpretability. Sparse autoencoders (SAEs) are a popular method for decomposing the internal activations of trained transformers into sparse, interpretable features, and have been applied to MLP layers and the residual stream. In this work we train SAEs on attention layer outputs and show that also here SAEs find a sparse, interpretable decomposition. We demonstrate this on transformers from several model families and up to 2B parameters. We perform a qualitative study of the features computed by attention layers, and find multiple families: long-range context, short-range context and induction features. We qualitatively study the role of every head in GPT-2 Small, and estimate that at least 90% of the heads are polysemantic, i.e. have multiple unrelated roles. Further, we show that Sparse Autoencoders are a useful tool that enable researchers to explain model behavior in greater detail than prior work. For example, we explore the mystery of why models have so many seemingly redundant induction heads, use SAEs to motivate the hypothesis that some are long-prefix whereas others are short-prefix, and confirm this with more rigorous analysis. We use our SAEs to analyze the computation performed by the Indirect Object Identification circuit (Wang et al.), validating that the SAEs find causally meaningful intermediate variables, and deepening our understanding of the semantics of the circuit. We open-source the trained SAEs and a tool for exploring arbitrary prompts through the lens of Attention Output SAEs.

Brain signal visualization has emerged as an active research area, serving as a critical interface between the human visual system and computer vision models. Although diffusion models have shown promise in analyzing functional magnetic resonance imaging (fMRI) data, including reconstructing high-quality images consistent with original visual stimuli, their accuracy in extracting semantic and silhouette information from brain signals remains limited. In this regard, we propose a novel approach, referred to as Controllable Mind Visual Diffusion Model (CMVDM). CMVDM extracts semantic and silhouette information from fMRI data using attribute alignment and assistant networks. Additionally, a residual block is incorporated to capture information beyond semantic and silhouette features. We then leverage a control model to fully exploit the extracted information for image synthesis, resulting in generated images that closely resemble the visual stimuli in terms of semantics and silhouette. Through extensive experimentation, we demonstrate that CMVDM outperforms existing state-of-the-art methods both qualitatively and quantitatively.

Attention mechanisms are a central property of cognitive systems allowing them to selectively deploy cognitive resources in a flexible manner. Attention has been long studied in the neurosciences and there are numerous phenomenological models that try to capture its core properties. Recently attentional mechanisms have become a dominating architectural choice of machine learning and are the central innovation of Transformers. The dominant intuition and formalism underlying their development has drawn on ideas of keys and queries in database management systems. In this work, we propose an alternative Bayesian foundation for attentional mechanisms and show how this unifies different attentional architectures in machine learning. This formulation allows to to identify commonality across different attention ML architectures as well as suggest a bridge to those developed in neuroscience. We hope this work will guide more sophisticated intuitions into the key properties of attention architectures and suggest new ones.

Model merging is an efficient post-training strategy for integrating knowledge from multiple finetuned checkpoints of a shared foundation model. Existing methods operate in the parameter space, combining task vectors to mitigate conflicts, but remain constrained by parameter inconsistencies. We propose Functional Dual Anchors (FDAs), a framework that instead models the input-representation space. FDAs are synthetic inputs whose induced gradients align with task vectors, capturing task-specific functional shifts relative to the pretrained model. This perspective bridges joint multi-task training and post-hoc merging, offering both robustness and flexibility. We further introduce a principled initialization scheme and show that FDAs are complementary to parameter-space model merging. Comprehensive experiments demonstrate the effectiveness of FDAs in model merging.

Activation functions are core components of all deep learning architectures. Currently, the most popular activation functions are smooth ReLU variants like GELU and SiLU. These are self-gated activation functions where the range of the gating function is between zero and one. In this paper, we explore the viability of using arctan as a gating mechanism. A self-gated activation function that uses arctan as its gating function has a monotonically increasing first derivative. To make this activation function competitive, it is necessary to introduce a trainable parameter for every MLP block to expand the range of the gating function beyond zero and one. We find that this technique also improves existing self-gated activation functions. We conduct an empirical evaluation of Expanded ArcTan Linear Unit (xATLU), Expanded GELU (xGELU), and Expanded SiLU (xSiLU) and show that they outperform existing activation functions within a transformer architecture. Additionally, expanded gating ranges show promising results in improving first-order Gated Linear Units (GLU).

Many recently trained neural networks employ large numbers of parameters to achieve good performance. One may intuitively use the number of parameters required as a rough gauge of the difficulty of a problem. But how accurate are such notions? How many parameters are really needed? In this paper we attempt to answer this question by training networks not in their native parameter space, but instead in a smaller, randomly oriented subspace. We slowly increase the dimension of this subspace, note at which dimension solutions first appear, and define this to be the intrinsic dimension of the objective landscape. The approach is simple to implement, computationally tractable, and produces several suggestive conclusions. Many problems have smaller intrinsic dimensions than one might suspect, and the intrinsic dimension for a given dataset varies little across a family of models with vastly different sizes. This latter result has the profound implication that once a parameter space is large enough to solve a problem, extra parameters serve directly to increase the dimensionality of the solution manifold. Intrinsic dimension allows some quantitative comparison of problem difficulty across supervised, reinforcement, and other types of learning where we conclude, for example, that solving the inverted pendulum problem is 100 times easier than classifying digits from MNIST, and playing Atari Pong from pixels is about as hard as classifying CIFAR-10. In addition to providing new cartography of the objective landscapes wandered by parameterized models, the method is a simple technique for constructively obtaining an upper bound on the minimum description length of a solution. A byproduct of this construction is a simple approach for compressing networks, in some cases by more than 100 times.

The utility of a learned neural representation depends on how well its geometry supports performance in downstream tasks. This geometry depends on the structure of the inputs, the structure of the target outputs, and the architecture of the network. By studying the learning dynamics of networks with one hidden layer, we discovered that the network's activation function has an unexpectedly strong impact on the representational geometry: Tanh networks tend to learn representations that reflect the structure of the target outputs, while ReLU networks retain more information about the structure of the raw inputs. This difference is consistently observed across a broad class of parameterized tasks in which we modulated the degree of alignment between the geometry of the task inputs and that of the task labels. We analyzed the learning dynamics in weight space and show how the differences between the networks with Tanh and ReLU nonlinearities arise from the asymmetric asymptotic behavior of ReLU, which leads feature neurons to specialize for different regions of input space. By contrast, feature neurons in Tanh networks tend to inherit the task label structure. Consequently, when the target outputs are low dimensional, Tanh networks generate neural representations that are more disentangled than those obtained with a ReLU nonlinearity. Our findings shed light on the interplay between input-output geometry, nonlinearity, and learned representations in neural networks.

Early diagnosis of mild cognitive impairment (MCI) and subjective cognitive decline (SCD) utilizing multi-modal magnetic resonance imaging (MRI) is a pivotal area of research. While various regional and connectivity features from functional MRI (fMRI) and diffusion tensor imaging (DTI) have been employed to develop diagnosis models, most studies integrate these features without adequately addressing their alignment and interactions. This limits the potential to fully exploit the synergistic contributions of combined features and modalities. To solve this gap, our study introduces a novel Hierarchical Alignments and Hierarchical Interactions (HA-HI) method for MCI and SCD classification, leveraging the combined strengths of fMRI and DTI. HA-HI efficiently learns significant MCI- or SCD- related regional and connectivity features by aligning various feature types and hierarchically maximizing their interactions. Furthermore, to enhance the interpretability of our approach, we have developed the Synergistic Activation Map (SAM) technique, revealing the critical brain regions and connections that are indicative of MCI/SCD. Comprehensive evaluations on the ADNI dataset and our self-collected data demonstrate that HA-HI outperforms other existing methods in diagnosing MCI and SCD, making it a potentially vital and interpretable tool for early detection. The implementation of this method is publicly accessible at https://github.com/ICI-BCI/Dual-MRI-HA-HI.git.

This paper presents a new approach to recognize elements in floor plan layouts. Besides walls and rooms, we aim to recognize diverse floor plan elements, such as doors, windows and different types of rooms, in the floor layouts. To this end, we model a hierarchy of floor plan elements and design a deep multi-task neural network with two tasks: one to learn to predict room-boundary elements, and the other to predict rooms with types. More importantly, we formulate the room-boundary-guided attention mechanism in our spatial contextual module to carefully take room-boundary features into account to enhance the room-type predictions. Furthermore, we design a cross-and-within-task weighted loss to balance the multi-label tasks and prepare two new datasets for floor plan recognition. Experimental results demonstrate the superiority and effectiveness of our network over the state-of-the-art methods.

A variety of methods have been proposed to try to explain how deep neural networks make their decisions. Key to those approaches is the need to sample the pixel space efficiently in order to derive importance maps. However, it has been shown that the sampling methods used to date introduce biases and other artifacts, leading to inaccurate estimates of the importance of individual pixels and severely limit the reliability of current explainability methods. Unfortunately, the alternative -- to exhaustively sample the image space is computationally prohibitive. In this paper, we introduce EVA (Explaining using Verified perturbation Analysis) -- the first explainability method guarantee to have an exhaustive exploration of a perturbation space. Specifically, we leverage the beneficial properties of verified perturbation analysis -- time efficiency, tractability and guaranteed complete coverage of a manifold -- to efficiently characterize the input variables that are most likely to drive the model decision. We evaluate the approach systematically and demonstrate state-of-the-art results on multiple benchmarks.

Training deep learning models for semantic occupancy prediction is challenging due to factors such as a large number of occupancy cells, severe occlusion, limited visual cues, complicated driving scenarios, etc. Recent methods often adopt transformer-based architectures given their strong capability in learning input-conditioned weights and long-range relationships. However, transformer-based networks are notorious for their quadratic computation complexity, seriously undermining their efficacy and deployment in semantic occupancy prediction. Inspired by the global modeling and linear computation complexity of the Mamba architecture, we present the first Mamba-based network for semantic occupancy prediction, termed OccMamba. Specifically, we first design the hierarchical Mamba module and local context processor to better aggregate global and local contextual information, respectively. Besides, to relieve the inherent domain gap between the linguistic and 3D domains, we present a simple yet effective 3D-to-1D reordering scheme, i.e., height-prioritized 2D Hilbert expansion. It can maximally retain the spatial structure of 3D voxels as well as facilitate the processing of Mamba blocks. Endowed with the aforementioned designs, our OccMamba is capable of directly and efficiently processing large volumes of dense scene grids, achieving state-of-the-art performance across three prevalent occupancy prediction benchmarks, including OpenOccupancy, SemanticKITTI, and SemanticPOSS. Notably, on OpenOccupancy, our OccMamba outperforms the previous state-of-the-art Co-Occ by 5.1% IoU and 4.3% mIoU, respectively. Our implementation is open-sourced and available at: https://github.com/USTCLH/OccMamba.

The process of reconstructing experiences from human brain activity offers a unique lens into how the brain interprets and represents the world. In this paper, we introduce a method for reconstructing music from brain activity, captured using functional magnetic resonance imaging (fMRI). Our approach uses either music retrieval or the MusicLM music generation model conditioned on embeddings derived from fMRI data. The generated music resembles the musical stimuli that human subjects experienced, with respect to semantic properties like genre, instrumentation, and mood. We investigate the relationship between different components of MusicLM and brain activity through a voxel-wise encoding modeling analysis. Furthermore, we discuss which brain regions represent information derived from purely textual descriptions of music stimuli. We provide supplementary material including examples of the reconstructed music at https://google-research.github.io/seanet/brain2music

Neurosymbolic (NeSy) frameworks combine neural representations and learning with symbolic representations and reasoning. Combining the reasoning capacities, explainability, and interpretability of symbolic processing with the flexibility and power of neural computing allows us to solve complex problems with more reliability while being data-efficient. However, this recently growing topic poses a challenge to developers with its learning curve, lack of user-friendly tools, libraries, and unifying frameworks. In this paper, we characterize the technical facets of existing NeSy frameworks, such as the symbolic representation language, integration with neural models, and the underlying algorithms. A majority of the NeSy research focuses on algorithms instead of providing generic frameworks for declarative problem specification to leverage problem solving. To highlight the key aspects of Neurosymbolic modeling, we showcase three generic NeSy frameworks - DeepProbLog, Scallop, and DomiKnowS. We identify the challenges within each facet that lay the foundation for identifying the expressivity of each framework in solving a variety of problems. Building on this foundation, we aim to spark transformative action and encourage the community to rethink this problem in novel ways.

Pixel-space generative models are often more difficult to train and generally underperform compared to their latent-space counterparts, leaving a persistent performance and efficiency gap. In this paper, we introduce a novel two-stage training framework that closes this gap for pixel-space diffusion and consistency models. In the first stage, we pre-train encoders to capture meaningful semantics from clean images while aligning them with points along the same deterministic sampling trajectory, which evolves points from the prior to the data distribution. In the second stage, we integrate the encoder with a randomly initialized decoder and fine-tune the complete model end-to-end for both diffusion and consistency models. Our training framework demonstrates strong empirical performance on ImageNet dataset. Specifically, our diffusion model reaches an FID of 2.04 on ImageNet-256 and 2.35 on ImageNet-512 with 75 number of function evaluations (NFE), surpassing prior pixel-space methods by a large margin in both generation quality and efficiency while rivaling leading VAE-based models at comparable training cost. Furthermore, on ImageNet-256, our consistency model achieves an impressive FID of 8.82 in a single sampling step, significantly surpassing its latent-space counterpart. To the best of our knowledge, this marks the first successful training of a consistency model directly on high-resolution images without relying on pre-trained VAEs or diffusion models.

Large-scale pre-training tasks like image classification, captioning, or self-supervised techniques do not incentivize learning the semantic boundaries of objects. However, recent generative foundation models built using text-based latent diffusion techniques may learn semantic boundaries. This is because they have to synthesize intricate details about all objects in an image based on a text description. Therefore, we present a technique for segmenting real and AI-generated images using latent diffusion models (LDMs) trained on internet-scale datasets. First, we show that the latent space of LDMs (z-space) is a better input representation compared to other feature representations like RGB images or CLIP encodings for text-based image segmentation. By training the segmentation models on the latent z-space, which creates a compressed representation across several domains like different forms of art, cartoons, illustrations, and photographs, we are also able to bridge the domain gap between real and AI-generated images. We show that the internal features of LDMs contain rich semantic information and present a technique in the form of LD-ZNet to further boost the performance of text-based segmentation. Overall, we show up to 6% improvement over standard baselines for text-to-image segmentation on natural images. For AI-generated imagery, we show close to 20% improvement compared to state-of-the-art techniques. The project is available at https://koutilya-pnvr.github.io/LD-ZNet/.

We consider an existing conjecture addressing the asymptotic behavior of neural networks in the large width limit. The results that follow from this conjecture include tight bounds on the behavior of wide networks during stochastic gradient descent, and a derivation of their finite-width dynamics. We prove the conjecture for deep networks with polynomial activation functions, greatly extending the validity of these results. Finally, we point out a difference in the asymptotic behavior of networks with analytic (and non-linear) activation functions and those with piecewise-linear activations such as ReLU.

State-space models (SSMs) are a new class of foundation models that have emerged as a compelling alternative to Transformers and their attention mechanisms for sequence processing tasks. This paper provides a detailed theoretical analysis of selective SSMs, the core components of the Mamba and Mamba-2 architectures. We leverage the connection between selective SSMs and the self-attention mechanism to highlight the fundamental similarities between these models. Building on this connection, we establish a length independent covering number-based generalization bound for selective SSMs, providing a deeper understanding of their theoretical performance guarantees. We analyze the effects of state matrix stability and input-dependent discretization, shedding light on the critical role played by these factors in the generalization capabilities of selective SSMs. Finally, we empirically demonstrate the sequence length independence of the derived bounds on two tasks.

This paper presents a data-driven, task-specific paradigm for experimental design, to shorten acquisition time, reduce costs, and accelerate the deployment of imaging devices. Current approaches in experimental design focus on model-parameter estimation and require specification of a particular model, whereas in imaging, other tasks may drive the design. Furthermore, such approaches often lead to intractable optimization problems in real-world imaging applications. Here we present a new paradigm for experimental design that simultaneously optimizes the design (set of image channels) and trains a machine-learning model to execute a user-specified image-analysis task. The approach obtains data densely-sampled over the measurement space (many image channels) for a small number of acquisitions, then identifies a subset of channels of prespecified size that best supports the task. We propose a method: TADRED for TAsk-DRiven Experimental Design in imaging, to identify the most informative channel-subset whilst simultaneously training a network to execute the task given the subset. Experiments demonstrate the potential of TADRED in diverse imaging applications: several clinically-relevant tasks in magnetic resonance imaging; and remote sensing and physiological applications of hyperspectral imaging. Results show substantial improvement over classical experimental design, two recent application-specific methods within the new paradigm, and state-of-the-art approaches in supervised feature selection. We anticipate further applications of our approach. Code is available: https://github.com/sbb-gh/experimental-design-multichannel

Semi-Supervised Semantic Segmentation (S4) aims to train a segmentation model with limited labeled images and a substantial volume of unlabeled images. To improve the robustness of representations, powerful methods introduce a pixel-wise contrastive learning approach in latent space (i.e., representation space) that aggregates the representations to their prototypes in a fully supervised manner. However, previous contrastive-based S4 methods merely rely on the supervision from the model's output (logits) in logit space during unlabeled training. In contrast, we utilize the outputs in both logit space and representation space to obtain supervision in a collaborative way. The supervision from two spaces plays two roles: 1) reduces the risk of over-fitting to incorrect semantic information in logits with the help of representations; 2) enhances the knowledge exchange between the two spaces. Furthermore, unlike previous approaches, we use the similarity between representations and prototypes as a new indicator to tilt training those under-performing representations and achieve a more efficient contrastive learning process. Results on two public benchmarks demonstrate the competitive performance of our method compared with state-of-the-art methods.

The central building block of convolutional neural networks (CNNs) is the convolution operator, which enables networks to construct informative features by fusing both spatial and channel-wise information within local receptive fields at each layer. A broad range of prior research has investigated the spatial component of this relationship, seeking to strengthen the representational power of a CNN by enhancing the quality of spatial encodings throughout its feature hierarchy. In this work, we focus instead on the channel relationship and propose a novel architectural unit, which we term the "Squeeze-and-Excitation" (SE) block, that adaptively recalibrates channel-wise feature responses by explicitly modelling interdependencies between channels. We show that these blocks can be stacked together to form SENet architectures that generalise extremely effectively across different datasets. We further demonstrate that SE blocks bring significant improvements in performance for existing state-of-the-art CNNs at slight additional computational cost. Squeeze-and-Excitation Networks formed the foundation of our ILSVRC 2017 classification submission which won first place and reduced the top-5 error to 2.251%, surpassing the winning entry of 2016 by a relative improvement of ~25%. Models and code are available at https://github.com/hujie-frank/SENet.

Diffusion Magnetic Resonance Imaging (dMRI) plays a crucial role in the noninvasive investigation of tissue microstructural properties and structural connectivity in the in vivo human brain. However, to effectively capture the intricate characteristics of water diffusion at various directions and scales, it is important to employ comprehensive q-space sampling. Unfortunately, this requirement leads to long scan times, limiting the clinical applicability of dMRI. To address this challenge, we propose SSOR, a Simultaneous q-Space sampling Optimization and Reconstruction framework. We jointly optimize a subset of q-space samples using a continuous representation of spherical harmonic functions and a reconstruction network. Additionally, we integrate the unique properties of diffusion magnetic resonance imaging (dMRI) in both the q-space and image domains by applying l1-norm and total-variation regularization. The experiments conducted on HCP data demonstrate that SSOR has promising strengths both quantitatively and qualitatively and exhibits robustness to noise.

Hyperdimensional computing (HDC) is a biologically-inspired framework which represents symbols with high-dimensional vectors, and uses vector operations to manipulate them. The ensemble of a particular vector space and a prescribed set of vector operations (including one addition-like for "bundling" and one outer-product-like for "binding") form a *vector symbolic architecture* (VSA). While VSAs have been employed in numerous applications and have been studied empirically, many theoretical questions about VSAs remain open. We analyze the *representation capacities* of four common VSAs: MAP-I, MAP-B, and two VSAs based on sparse binary vectors. "Representation capacity' here refers to bounds on the dimensions of the VSA vectors required to perform certain symbolic tasks, such as testing for set membership i in S and estimating set intersection sizes |X cap Y| for two sets of symbols X and Y, to a given degree of accuracy. We also analyze the ability of a novel variant of a Hopfield network (a simple model of associative memory) to perform some of the same tasks that are typically asked of VSAs. In addition to providing new bounds on VSA capacities, our analyses establish and leverage connections between VSAs, "sketching" (dimensionality reduction) algorithms, and Bloom filters.

Dexterous hands exhibit significant potential for complex real-world grasping tasks. While recent studies have primarily focused on learning policies for specific robotic hands, the development of a universal policy that controls diverse dexterous hands remains largely unexplored. In this work, we study the learning of cross-embodiment dexterous grasping policies using reinforcement learning (RL). Inspired by the capability of human hands to control various dexterous hands through teleoperation, we propose a universal action space based on the human hand's eigengrasps. The policy outputs eigengrasp actions that are then converted into specific joint actions for each robot hand through a retargeting mapping. We simplify the robot hand's proprioception to include only the positions of fingertips and the palm, offering a unified observation space across different robot hands. Our approach demonstrates an 80% success rate in grasping objects from the YCB dataset across four distinct embodiments using a single vision-based policy. Additionally, our policy exhibits zero-shot generalization to two previously unseen embodiments and significant improvement in efficient finetuning. For further details and videos, visit our project page https://sites.google.com/view/crossdex.

The word embedding space in neural models is skewed, and correcting this can improve task performance. We point out that most approaches for modeling, correcting, and measuring the symmetry of an embedding space implicitly assume that the word frequencies are uniform; in reality, word frequencies follow a highly non-uniform distribution, known as Zipf's law. Surprisingly, simply performing PCA whitening weighted by the empirical word frequency that follows Zipf's law significantly improves task performance, surpassing established baselines. From a theoretical perspective, both our approach and existing methods can be clearly categorized: word representations are distributed according to an exponential family with either uniform or Zipfian base measures. By adopting the latter approach, we can naturally emphasize informative low-frequency words in terms of their vector norm, which becomes evident from the information-geometric perspective, and in terms of the loss functions for imbalanced classification. Additionally, our theory corroborates that popular natural language processing methods, such as skip-gram negative sampling, WhiteningBERT, and headless language models, work well just because their word embeddings encode the empirical word frequency into the underlying probabilistic model.

While diffusion models have gained prominence in image synthesis, their generative pre-training has been shown to yield discriminative representations, paving the way towards unified visual generation and understanding. However, two key questions remain: 1) Can these representations be leveraged to improve the training of diffusion models themselves, rather than solely benefiting downstream tasks? 2) Can the feature quality be enhanced to rival or even surpass modern self-supervised learners, without compromising generative capability? This work addresses these questions by introducing self-conditioning, a straightforward yet effective mechanism that internally leverages the rich semantics inherent in denoising network to guide its own decoding layers, forming a tighter bottleneck that condenses high-level semantics to improve generation. Results are compelling: our method boosts both generation FID and recognition accuracy with 1% computational overhead and generalizes across diverse diffusion architectures. Crucially, self-conditioning facilitates an effective integration of discriminative techniques, such as contrastive self-distillation, directly into diffusion models without sacrificing generation quality. Extensive experiments on pixel-space and latent-space datasets show that in linear evaluations, our enhanced diffusion models, particularly UViT and DiT, serve as strong representation learners, surpassing various self-supervised models.

Recent unsupervised domain adaptation methods have utilized vicinal space between the source and target domains. However, the equilibrium collapse of labels, a problem where the source labels are dominant over the target labels in the predictions of vicinal instances, has never been addressed. In this paper, we propose an instance-wise minimax strategy that minimizes the entropy of high uncertainty instances in the vicinal space to tackle the stated problem. We divide the vicinal space into two subspaces through the solution of the minimax problem: contrastive space and consensus space. In the contrastive space, inter-domain discrepancy is mitigated by constraining instances to have contrastive views and labels, and the consensus space reduces the confusion between intra-domain categories. The effectiveness of our method is demonstrated on public benchmarks, including Office-31, Office-Home, and VisDA-C, achieving state-of-the-art performances. We further show that our method outperforms the current state-of-the-art methods on PACS, which indicates that our instance-wise approach works well for multi-source domain adaptation as well. Code is available at https://github.com/NaJaeMin92/CoVi.

Robotic manipulation can be formulated as inducing a sequence of spatial displacements: where the space being moved can encompass an object, part of an object, or end effector. In this work, we propose the Transporter Network, a simple model architecture that rearranges deep features to infer spatial displacements from visual input - which can parameterize robot actions. It makes no assumptions of objectness (e.g. canonical poses, models, or keypoints), it exploits spatial symmetries, and is orders of magnitude more sample efficient than our benchmarked alternatives in learning vision-based manipulation tasks: from stacking a pyramid of blocks, to assembling kits with unseen objects; from manipulating deformable ropes, to pushing piles of small objects with closed-loop feedback. Our method can represent complex multi-modal policy distributions and generalizes to multi-step sequential tasks, as well as 6DoF pick-and-place. Experiments on 10 simulated tasks show that it learns faster and generalizes better than a variety of end-to-end baselines, including policies that use ground-truth object poses. We validate our methods with hardware in the real world. Experiment videos and code are available at https://transporternets.github.io

Despite the ubiquity of large language models (LLMs) in AI research, the question of embodiment in LLMs remains underexplored, distinguishing them from embodied systems in robotics where sensory perception directly informs physical action. Our investigation navigates the intriguing terrain of whether LLMs, despite their non-embodied nature, effectively capture implicit human intuitions about fundamental, spatial building blocks of language. We employ insights from spatial cognitive foundations developed through early sensorimotor experiences, guiding our exploration through the reproduction of three psycholinguistic experiments. Surprisingly, correlations between model outputs and human responses emerge, revealing adaptability without a tangible connection to embodied experiences. Notable distinctions include polarized language model responses and reduced correlations in vision language models. This research contributes to a nuanced understanding of the interplay between language, spatial experiences, and the computations made by large language models. More at https://cisnlp.github.io/Spatial_Schemas/

An established measure of the expressive power of a given ReLU neural network is the number of linear regions into which it partitions the input space. There exist many different, non-equivalent definitions of what a linear region actually is. We systematically assess which papers use which definitions and discuss how they relate to each other. We then analyze the computational complexity of counting the number of such regions for the various definitions. Generally, this turns out to be an intractable problem. We prove NP- and #P-hardness results already for networks with one hidden layer and strong hardness of approximation results for two or more hidden layers. Finally, on the algorithmic side, we demonstrate that counting linear regions can at least be achieved in polynomial space for some common definitions.

Objective: fMRI and derived measures such as functional connectivity (FC) have been used to predict brain age, general fluid intelligence, psychiatric disease status, and preclinical neurodegenerative disease. However, it is not always clear that all demographic confounds, such as age, sex, and race, have been removed from fMRI data. Additionally, many fMRI datasets are restricted to authorized researchers, making dissemination of these valuable data sources challenging. Methods: We create a variational autoencoder (VAE)-based model, DemoVAE, to decorrelate fMRI features from demographics and generate high-quality synthetic fMRI data based on user-supplied demographics. We train and validate our model using two large, widely used datasets, the Philadelphia Neurodevelopmental Cohort (PNC) and Bipolar and Schizophrenia Network for Intermediate Phenotypes (BSNIP). Results: We find that DemoVAE recapitulates group differences in fMRI data while capturing the full breadth of individual variations. Significantly, we also find that most clinical and computerized battery fields that are correlated with fMRI data are not correlated with DemoVAE latents. An exception are several fields related to schizophrenia medication and symptom severity. Conclusion: Our model generates fMRI data that captures the full distribution of FC better than traditional VAE or GAN models. We also find that most prediction using fMRI data is dependent on correlation with, and prediction of, demographics. Significance: Our DemoVAE model allows for generation of high quality synthetic data conditioned on subject demographics as well as the removal of the confounding effects of demographics. We identify that FC-based prediction tasks are highly influenced by demographic confounds.

Neural Architecture Search (NAS) has been a source of dramatic improvements in neural network design, with recent results meeting or exceeding the performance of hand-tuned architectures. However, our understanding of how to represent the search space for neural net architectures and how to search that space efficiently are both still in their infancy. We have performed an in-depth analysis to identify limitations in a widely used search space and a recent architecture search method, Differentiable Architecture Search (DARTS). These findings led us to introduce novel network blocks with a more general, balanced, and consistent design; a better-optimized Cosine Power Annealing learning rate schedule; and other improvements. Our resulting sharpDARTS search is 50% faster with a 20-30% relative improvement in final model error on CIFAR-10 when compared to DARTS. Our best single model run has 1.93% (1.98+/-0.07) validation error on CIFAR-10 and 5.5% error (5.8+/-0.3) on the recently released CIFAR-10.1 test set. To our knowledge, both are state of the art for models of similar size. This model also generalizes competitively to ImageNet at 25.1% top-1 (7.8% top-5) error. We found improvements for existing search spaces but does DARTS generalize to new domains? We propose Differentiable Hyperparameter Grid Search and the HyperCuboid search space, which are representations designed to leverage DARTS for more general parameter optimization. Here we find that DARTS fails to generalize when compared against a human's one shot choice of models. We look back to the DARTS and sharpDARTS search spaces to understand why, and an ablation study reveals an unusual generalization gap. We finally propose Max-W regularization to solve this problem, which proves significantly better than the handmade design. Code will be made available.

Electroencephalography (EEG) offers a non-invasive lens into human brain activity, but building large-scale models is hampered by topological heterogeneity: each public EEG data defines its own electrode layout, limiting generalization. We introduce LUNA (Latent Unified Network Architecture), a self-supervised foundation model that reconciles disparate electrode geometries while scaling linearly -- not quadratically -- with channel count. LUNA compresses multi-channel EEG into a fixed-size, topology-agnostic latent space via learned queries and cross-attention. Downstream transformer blocks then operate exclusively on this latent representation using patch-wise temporal self-attention, decoupling computation from electrode count. Pre-trained on TUEG and Siena (over 21,000 hours of raw EEG across diverse montages) using a masked-patch reconstruction objective, LUNA transfers effectively to four downstream tasks: abnormality detection, artifact rejection, slowing classification, and emotion recognition. It demonstrates highly competitive performance across several benchmarks, achieving state-of-the-art results on TUAR and TUSL, e.g., 0.921 AUROC on TUAR, while reducing FLOPs by 300x and trimming GPU memory use by up to 10x. Critically, these gains are consistent across all evaluated electrode configurations. Code is available at https://github.com/pulp-bio/BioFoundation

Mamba, a special case of the State Space Model, is gaining popularity as an alternative to template-based deep learning approaches in medical image analysis. While transformers are powerful architectures, they have drawbacks, including quadratic computational complexity and an inability to address long-range dependencies efficiently. This limitation affects the analysis of large and complex datasets in medical imaging, where there are many spatial and temporal relationships. In contrast, Mamba offers benefits that make it well-suited for medical image analysis. It has linear time complexity, which is a significant improvement over transformers. Mamba processes longer sequences without attention mechanisms, enabling faster inference and requiring less memory. Mamba also demonstrates strong performance in merging multimodal data, improving diagnosis accuracy and patient outcomes. The organization of this paper allows readers to appreciate the capabilities of Mamba in medical imaging step by step. We begin by defining core concepts of SSMs and models, including S4, S5, and S6, followed by an exploration of Mamba architectures such as pure Mamba, U-Net variants, and hybrid models with convolutional neural networks, transformers, and Graph Neural Networks. We also cover Mamba optimizations, techniques and adaptations, scanning, datasets, applications, experimental results, and conclude with its challenges and future directions in medical imaging. This review aims to demonstrate the transformative potential of Mamba in overcoming existing barriers within medical imaging while paving the way for innovative advancements in the field. A comprehensive list of Mamba architectures applied in the medical field, reviewed in this work, is available at Github.

Understanding and mapping a new environment are core abilities of any autonomously navigating agent. While classical robotics usually estimates maps in a stand-alone manner with SLAM variants, which maintain a topological or metric representation, end-to-end learning of navigation keeps some form of memory in a neural network. Networks are typically imbued with inductive biases, which can range from vectorial representations to birds-eye metric tensors or topological structures. In this work, we propose to structure neural networks with two neural implicit representations, which are learned dynamically during each episode and map the content of the scene: (i) the Semantic Finder predicts the position of a previously seen queried object; (ii) the Occupancy and Exploration Implicit Representation encapsulates information about explored area and obstacles, and is queried with a novel global read mechanism which directly maps from function space to a usable embedding space. Both representations are leveraged by an agent trained with Reinforcement Learning (RL) and learned online during each episode. We evaluate the agent on Multi-Object Navigation and show the high impact of using neural implicit representations as a memory source.

Latent diffusion models have become the popular choice for scaling up diffusion models for high resolution image synthesis. Compared to pixel-space models that are trained end-to-end, latent models are perceived to be more efficient and to produce higher image quality at high resolution. Here we challenge these notions, and show that pixel-space models can in fact be very competitive to latent approaches both in quality and efficiency, achieving 1.5 FID on ImageNet512 and new SOTA results on ImageNet128 and ImageNet256. We present a simple recipe for scaling end-to-end pixel-space diffusion models to high resolutions. 1: Use the sigmoid loss (Kingma & Gao, 2023) with our prescribed hyper-parameters. 2: Use our simplified memory-efficient architecture with fewer skip-connections. 3: Scale the model to favor processing the image at high resolution with fewer parameters, rather than using more parameters but at a lower resolution. When combining these three steps with recently proposed tricks like guidance intervals, we obtain a family of pixel-space diffusion models we call Simple Diffusion v2 (SiD2).

The static synaptic connectivity of neuronal circuits stands in direct contrast to the dynamics of their function. As in changing community interactions, different neurons can participate actively in various combinations to effect behaviors at different times. We introduce an unsupervised approach to learn the dynamic affinities between neurons in live, behaving animals, and to reveal which communities form among neurons at different times. The inference occurs in two major steps. First, pairwise non-linear affinities between neuronal traces from brain-wide calcium activity are organized by non-negative tensor factorization (NTF). Each factor specifies which groups of neurons are most likely interacting for an inferred interval in time, and for which animals. Finally, a generative model that allows for weighted community detection is applied to the functional motifs produced by NTF to reveal a dynamic functional connectome. Since time codes the different experimental variables (e.g., application of chemical stimuli), this provides an atlas of neural motifs active during separate stages of an experiment (e.g., stimulus application or spontaneous behaviors). Results from our analysis are experimentally validated, confirming that our method is able to robustly predict causal interactions between neurons to generate behavior. Code is available at https://github.com/dyballa/dynamic-connectomes.

A major goal of neuroscience is to understand brain computations during visual processing in naturalistic settings. A dominant approach is to use image-computable deep neural networks trained with different task objectives as a basis for linear encoding models. However, in addition to requiring tuning a large number of parameters, the linear encoding approach ignores the structure of the feature maps both in the brain and the models. Recently proposed alternatives have focused on decomposing the linear mapping to spatial and feature components but focus on finding static receptive fields for units that are applicable only in early visual areas. In this work, we employ the attention mechanism used in the transformer architecture to study how retinotopic visual features can be dynamically routed to category-selective areas in high-level visual processing. We show that this computational motif is significantly more powerful than alternative methods in predicting brain activity during natural scene viewing, across different feature basis models and modalities. We also show that this approach is inherently more interpretable, without the need to create importance maps, by interpreting the attention routing signal for different high-level categorical areas. Our approach proposes a mechanistic model of how visual information from retinotopic maps can be routed based on the relevance of the input content to different category-selective regions.

Neural networks are famously nonlinear. However, linearity is defined relative to a pair of vector spaces, f:XtoY. Is it possible to identify a pair of non-standard vector spaces for which a conventionally nonlinear function is, in fact, linear? This paper introduces a method that makes such vector spaces explicit by construction. We find that if we sandwich a linear operator A between two invertible neural networks, f(x)=g_y^{-1}(A g_x(x)), then the corresponding vector spaces X and Y are induced by newly defined addition and scaling actions derived from g_x and g_y. We term this kind of architecture a Linearizer. This framework makes the entire arsenal of linear algebra, including SVD, pseudo-inverse, orthogonal projection and more, applicable to nonlinear mappings. Furthermore, we show that the composition of two Linearizers that share a neural network is also a Linearizer. We leverage this property and demonstrate that training diffusion models using our architecture makes the hundreds of sampling steps collapse into a single step. We further utilize our framework to enforce idempotency (i.e. f(f(x))=f(x)) on networks leading to a globally projective generative model and to demonstrate modular style transfer.

State-of-the-art systems neuroscience experiments yield large-scale multimodal data, and these data sets require new tools for analysis. Inspired by the success of large pretrained models in vision and language domains, we reframe the analysis of large-scale, cellular-resolution neuronal spiking data into an autoregressive spatiotemporal generation problem. Neuroformer is a multimodal, multitask generative pretrained transformer (GPT) model that is specifically designed to handle the intricacies of data in systems neuroscience. It scales linearly with feature size, can process an arbitrary number of modalities, and is adaptable to downstream tasks, such as predicting behavior. We first trained Neuroformer on simulated datasets, and found that it both accurately predicted simulated neuronal circuit activity, and also intrinsically inferred the underlying neural circuit connectivity, including direction. When pretrained to decode neural responses, the model predicted the behavior of a mouse with only few-shot fine-tuning, suggesting that the model begins learning how to do so directly from the neural representations themselves, without any explicit supervision. We used an ablation study to show that joint training on neuronal responses and behavior boosted performance, highlighting the model's ability to associate behavioral and neural representations in an unsupervised manner. These findings show that Neuroformer can analyze neural datasets and their emergent properties, informing the development of models and hypotheses associated with the brain.

It has long been known in both neuroscience and AI that ``binding'' between neurons leads to a form of competitive learning where representations are compressed in order to represent more abstract concepts in deeper layers of the network. More recently, it was also hypothesized that dynamic (spatiotemporal) representations play an important role in both neuroscience and AI. Building on these ideas, we introduce Artificial Kuramoto Oscillatory Neurons (AKOrN) as a dynamical alternative to threshold units, which can be combined with arbitrary connectivity designs such as fully connected, convolutional, or attentive mechanisms. Our generalized Kuramoto updates bind neurons together through their synchronization dynamics. We show that this idea provides performance improvements across a wide spectrum of tasks such as unsupervised object discovery, adversarial robustness, calibrated uncertainty quantification, and reasoning. We believe that these empirical results show the importance of rethinking our assumptions at the most basic neuronal level of neural representation, and in particular show the importance of dynamical representations.

Machine learning models -- including prominent zero-shot models -- are often trained on datasets whose labels are only a small proportion of a larger label space. Such spaces are commonly equipped with a metric that relates the labels via distances between them. We propose a simple approach to exploit this information to adapt the trained model to reliably predict new classes -- or, in the case of zero-shot prediction, to improve its performance -- without any additional training. Our technique is a drop-in replacement of the standard prediction rule, swapping argmax with the Fr\'echet mean. We provide a comprehensive theoretical analysis for this approach, studying (i) learning-theoretic results trading off label space diameter, sample complexity, and model dimension, (ii) characterizations of the full range of scenarios in which it is possible to predict any unobserved class, and (iii) an optimal active learning-like next class selection procedure to obtain optimal training classes for when it is not possible to predict the entire range of unobserved classes. Empirically, using easily-available external metrics, our proposed approach, Loki, gains up to 29.7% relative improvement over SimCLR on ImageNet and scales to hundreds of thousands of classes. When no such metric is available, Loki can use self-derived metrics from class embeddings and obtains a 10.5% improvement on pretrained zero-shot models such as CLIP.

We analyze a family of large language models in such a lightweight manner that can be done on a single GPU. Specifically, we focus on the OPT family of models ranging from 125m to 66b parameters and rely only on whether an FFN neuron is activated or not. First, we find that the early part of the network is sparse and represents many discrete features. Here, many neurons (more than 70% in some layers of the 66b model) are "dead", i.e. they never activate on a large collection of diverse data. At the same time, many of the alive neurons are reserved for discrete features and act as token and n-gram detectors. Interestingly, their corresponding FFN updates not only promote next token candidates as could be expected, but also explicitly focus on removing the information about triggering them tokens, i.e., current input. To the best of our knowledge, this is the first example of mechanisms specialized at removing (rather than adding) information from the residual stream. With scale, models become more sparse in a sense that they have more dead neurons and token detectors. Finally, some neurons are positional: them being activated or not depends largely (or solely) on position and less so (or not at all) on textual data. We find that smaller models have sets of neurons acting as position range indicators while larger models operate in a less explicit manner.