Daily Papers

Vision-language pre-trained models (VLMs) such as CLIP have demonstrated remarkable zero-shot generalization, and prompt learning has emerged as an efficient alternative to full fine-tuning. However, existing methods often struggle with generalization to novel classes, a phenomenon attributed to overfitting on seen classes and forgetting general knowledge. Furthermore, recent approaches that improve generalization often introduce complex architectures or heavy computational overhead. In this paper, we propose a Multiple Semantic-Guided Context Optimization (MSGCoOp) framework to enhance few-shot generalization while maintaining computational efficiency. Our approach leverages an ensemble of parallel learnable context vectors to capture diverse semantic aspects. To enrich these prompts, we introduce a semantic guidance mechanism that aligns them with comprehensive class descriptions automatically generated by a Large Language Model (LLM). Furthermore, a diversity regularization loss encourages the prompts to learn complementary and orthogonal features, preventing them from collapsing into redundant representations. Extensive experiments on 11 benchmark datasets show that MSGCoOp significantly improves performance on base-to-novel generalization, achieving an average harmonic mean improvement of 1.10\% over the strong KgCoOp baseline. Our method also demonstrates enhanced robustness in cross-domain generalization tasks. Our code is avaliable at: https://github.com/Rain-Bus/MSGCoOp{https://github.com/Rain-Bus/MSGCoOp}.

We propose Consistency-guided Prompt learning (CoPrompt), a new fine-tuning method for vision-language models. Our approach improves the generalization of large foundation models when fine-tuned on downstream tasks in a few-shot setting. The basic idea of CoPrompt is to enforce a consistency constraint in the prediction of the trainable and pre-trained models to prevent overfitting on the downstream task. Additionally, we introduce the following two components into our consistency constraint to further boost the performance: enforcing consistency on two perturbed inputs and combining two dominant paradigms of tuning, prompting and adapter. Enforcing consistency on perturbed input serves to further regularize the consistency constraint, thereby improving generalization. Moreover, the integration of adapters and prompts not only enhances performance on downstream tasks but also offers increased tuning flexibility in both input and output spaces. This facilitates more effective adaptation to downstream tasks in a few-shot learning setting. Experiments show that CoPrompt outperforms existing methods on a range of evaluation suites, including base-to-novel generalization, domain generalization, and cross-dataset evaluation. On generalization, CoPrompt improves the state-of-the-art on zero-shot tasks and the overall harmonic mean over 11 datasets. Detailed ablation studies show the effectiveness of each of the components in CoPrompt. We make our code available at https://github.com/ShuvenduRoy/CoPrompt.

Large-scale multi-modal training with image-text pairs imparts strong generalization to CLIP model. Since training on a similar scale for videos is infeasible, recent approaches focus on the effective transfer of image-based CLIP to the video domain. In this pursuit, new parametric modules are added to learn temporal information and inter-frame relationships which require meticulous design efforts. Furthermore, when the resulting models are learned on videos, they tend to overfit on the given task distribution and lack in generalization aspect. This begs the following question: How to effectively transfer image-level CLIP representations to videos? In this work, we show that a simple Video Fine-tuned CLIP (ViFi-CLIP) baseline is generally sufficient to bridge the domain gap from images to videos. Our qualitative analysis illustrates that the frame-level processing from CLIP image-encoder followed by feature pooling and similarity matching with corresponding text embeddings helps in implicitly modeling the temporal cues within ViFi-CLIP. Such fine-tuning helps the model to focus on scene dynamics, moving objects and inter-object relationships. For low-data regimes where full fine-tuning is not viable, we propose a `bridge and prompt' approach that first uses fine-tuning to bridge the domain gap and then learns prompts on language and vision side to adapt CLIP representations. We extensively evaluate this simple yet strong baseline on zero-shot, base-to-novel generalization, few-shot and fully supervised settings across five video benchmarks. Our code is available at https://github.com/muzairkhattak/ViFi-CLIP.

Prompt learning has emerged as a powerful paradigm for adapting vision-language models such as CLIP to downstream tasks. However, existing methods often overfit to seen data, leading to significant performance degradation when generalizing to novel classes or unseen domains. To address this limitation, we propose DiSa, a Directional Saliency-Aware Prompt Learning framework that integrates two complementary regularization strategies to enhance generalization. First, our Cross-Interactive Regularization (CIR) fosters cross-modal alignment by enabling cooperative learning between prompted and frozen encoders. Within CIR, a saliency-aware masking strategy guides the image encoder to prioritize semantically critical image regions, reducing reliance on less informative patches. Second, we introduce a directional regularization strategy that aligns visual embeddings with class-wise prototype features in a directional manner to prioritize consistency in feature orientation over strict proximity. This approach ensures robust generalization by leveraging stable prototype directions derived from class-mean statistics. Extensive evaluations on 11 diverse image classification benchmarks demonstrate that DiSa consistently outperforms state-of-the-art prompt learning methods across various settings, including base-to-novel generalization, cross-dataset transfer, domain generalization, and few-shot learning.

Vision-language models such as CLIP have boosted the performance of open-vocabulary object detection, where the detector is trained on base categories but required to detect novel categories. Existing methods leverage CLIP's strong zero-shot recognition ability to align object-level embeddings with textual embeddings of categories. However, we observe that using CLIP for object-level alignment results in overfitting to base categories, i.e., novel categories most similar to base categories have particularly poor performance as they are recognized as similar base categories. In this paper, we first identify that the loss of critical fine-grained local image semantics hinders existing methods from attaining strong base-to-novel generalization. Then, we propose Early Dense Alignment (EDA) to bridge the gap between generalizable local semantics and object-level prediction. In EDA, we use object-level supervision to learn the dense-level rather than object-level alignment to maintain the local fine-grained semantics. Extensive experiments demonstrate our superior performance to competing approaches under the same strict setting and without using external training resources, i.e., improving the +8.4% novel box AP50 on COCO and +3.9% rare mask AP on LVIS.

Vision-Language Models (VLMs) demonstrate remarkable zero-shot generalization to unseen tasks, but fall short of the performance of supervised methods in generalizing to downstream tasks with limited data. Prompt learning is emerging as a parameter-efficient method for adapting VLMs, but state-of-the-art approaches require annotated samples. In this paper we propose a novel approach to prompt learning based on unsupervised knowledge distillation from more powerful models. Our approach, which we call Knowledge Distillation Prompt Learning (KDPL), can be integrated into existing prompt learning techniques and eliminates the need for labeled examples during adaptation. Our experiments on more than ten standard benchmark datasets demonstrate that KDPL is very effective at improving generalization of learned prompts for zero-shot domain generalization, zero-shot cross-dataset generalization, and zero-shot base-to-novel class generalization problems. KDPL requires no ground-truth labels for adaptation, and moreover we show that even in the absence of any knowledge of training class names it can be used to effectively transfer knowledge. The code is publicly available at https://github.com/miccunifi/KDPL.

Pre-trained vision-language models, such as CLIP, show impressive zero-shot recognition ability and can be easily transferred to specific downstream tasks via prompt tuning, even with limited training data. However, existing prompt tuning methods face two main challenges: (1) In few-shot scenarios, data scarcity often leads to overfitting, making the model sensitive to changes in the input domain. (2) To mitigate overfitting, these methods typically rely on complex task-specific model architectures and sensitive hyperparameter tuning, severely restricting their general applicability. To address these issues, we propose a simpler and more general framework called GLAD (Generalizable LoRA tuning with RegulArized GraDient). We show that merely applying LoRA achieves performance in downstream tasks comparable to current state-of-the-art prompt-based methods. While LoRA is effective and easy to use, it remains susceptible to overfitting in few-shot learning scenarios. To mitigate this risk, we introduce a gradient-based regularization technique. This technique effectively steers the optimization trajectory, encouraging the model to find a more stable parameter region that is robust to variations in data distribution. Through extensive experiments conducted on 15 benchmark datasets, we demonstrate that GLAD outperforms previous tuning approaches in terms of base-to-novel class generalization, image domain generalization, and cross-dataset generalization. The code will be publicly available.

Recent advancements in large-scale pre-training of visual-language models on paired image-text data have demonstrated impressive generalization capabilities for zero-shot tasks. Building on this success, efforts have been made to adapt these image-based visual-language models, such as CLIP, for videos extending their zero-shot capabilities to the video domain. While these adaptations have shown promising results, they come at a significant computational cost and struggle with effectively modeling the crucial temporal aspects inherent to the video domain. In this study, we present EZ-CLIP, a simple and efficient adaptation of CLIP that addresses these challenges. EZ-CLIP leverages temporal visual prompting for seamless temporal adaptation, requiring no fundamental alterations to the core CLIP architecture while preserving its remarkable generalization abilities. Moreover, we introduce a novel learning objective that guides the temporal visual prompts to focus on capturing motion, thereby enhancing its learning capabilities from video data. We conducted extensive experiments on five different benchmark datasets, thoroughly evaluating EZ-CLIP for zero-shot learning and base-to-novel video action recognition, and also demonstrating its potential for few-shot generalization.Impressively, with a mere 5.2 million learnable parameters (as opposed to the 71.1 million in the prior best model), EZ-CLIP can be efficiently trained on a single GPU, outperforming existing approaches in several evaluations.

In this paper, we investigate Open-Vocabulary 3D Instance Segmentation (OV-3DIS) with free-form language instructions. Earlier works that rely on only annotated base categories for training suffer from limited generalization to unseen novel categories. Recent works mitigate poor generalizability to novel categories by generating class-agnostic masks or projecting generalized masks from 2D to 3D, but disregard semantic or geometry information, leading to sub-optimal performance. Instead, generating generalizable but semantic-related masks directly from 3D point clouds would result in superior outcomes. In this paper, we introduce Segment any 3D Object with LanguagE (SOLE), which is a semantic and geometric-aware visual-language learning framework with strong generalizability by generating semantic-related masks directly from 3D point clouds. Specifically, we propose a multimodal fusion network to incorporate multimodal semantics in both backbone and decoder. In addition, to align the 3D segmentation model with various language instructions and enhance the mask quality, we introduce three types of multimodal associations as supervision. Our SOLE outperforms previous methods by a large margin on ScanNetv2, ScanNet200, and Replica benchmarks, and the results are even close to the fully-supervised counterpart despite the absence of class annotations in the training. Furthermore, extensive qualitative results demonstrate the versatility of our SOLE to language instructions.

Existing fully-supervised point cloud segmentation methods suffer in the dynamic testing environment with emerging new classes. Few-shot point cloud segmentation algorithms address this problem by learning to adapt to new classes at the sacrifice of segmentation accuracy for the base classes, which severely impedes its practicality. This largely motivates us to present the first attempt at a more practical paradigm of generalized few-shot point cloud segmentation, which requires the model to generalize to new categories with only a few support point clouds and simultaneously retain the capability to segment base classes. We propose the geometric words to represent geometric components shared between the base and novel classes, and incorporate them into a novel geometric-aware semantic representation to facilitate better generalization to the new classes without forgetting the old ones. Moreover, we introduce geometric prototypes to guide the segmentation with geometric prior knowledge. Extensive experiments on S3DIS and ScanNet consistently illustrate the superior performance of our method over baseline methods. Our code is available at: https://github.com/Pixie8888/GFS-3DSeg_GWs.

Large-scale pre-trained Vision-Language Models (VLMs) have significantly advanced transfer learning across diverse tasks. However, adapting these models with limited few-shot data often leads to overfitting, undermining their ability to generalize to new tasks. To address this, we propose Multi-Modal Representation Learning (MMRL), which introduces a shared, learnable, modality-agnostic representation space. MMRL generates space tokens projected into both text and image encoders as representation tokens, enabling more effective cross-modal interactions. Unlike prior methods that mainly optimize class token features, MMRL inserts representation tokens into higher encoder layers--where task-specific features are more prominent--while preserving general knowledge in the lower layers. During training, both class and representation features are jointly optimized: a trainable projection layer is applied to representation tokens for task adaptation, while the projection layer for class token remains frozen to retain pre-trained knowledge. To further promote generalization, we introduce a regularization term aligning class and text features with the frozen VLM's zero-shot features. At inference, a decoupling strategy uses both class and representation features for base tasks, but only class features for novel tasks due to their stronger generalization. Building upon this, we propose MMRL++, a parameter-efficient and interaction-aware extension that significantly reduces trainable parameters and enhances intra-modal interactions--particularly across the layers of representation tokens--allowing gradient sharing and instance-specific information to propagate more effectively through the network. Extensive experiments on 15 datasets demonstrate that MMRL and MMRL++ consistently outperform state-of-the-art methods, achieving a strong balance between task-specific adaptation and generalization.

Effective implementations of sampling-based probabilistic inference often require manually constructed, model-specific proposals. Inspired by recent progresses in meta-learning for training learning agents that can generalize to unseen environments, we propose a meta-learning approach to building effective and generalizable MCMC proposals. We parametrize the proposal as a neural network to provide fast approximations to block Gibbs conditionals. The learned neural proposals generalize to occurrences of common structural motifs across different models, allowing for the construction of a library of learned inference primitives that can accelerate inference on unseen models with no model-specific training required. We explore several applications including open-universe Gaussian mixture models, in which our learned proposals outperform a hand-tuned sampler, and a real-world named entity recognition task, in which our sampler yields higher final F1 scores than classical single-site Gibbs sampling.

The ability to extrapolate from short problem instances to longer ones is an important form of out-of-distribution generalization in reasoning tasks, and is crucial when learning from datasets where longer problem instances are rare. These include theorem proving, solving quantitative mathematics problems, and reading/summarizing novels. In this paper, we run careful empirical studies exploring the length generalization capabilities of transformer-based language models. We first establish that naively finetuning transformers on length generalization tasks shows significant generalization deficiencies independent of model scale. We then show that combining pretrained large language models' in-context learning abilities with scratchpad prompting (asking the model to output solution steps before producing an answer) results in a dramatic improvement in length generalization. We run careful failure analyses on each of the learning modalities and identify common sources of mistakes that highlight opportunities in equipping language models with the ability to generalize to longer problems.

We study the new task of class-incremental Novel Class Discovery (class-iNCD), which refers to the problem of discovering novel categories in an unlabelled data set by leveraging a pre-trained model that has been trained on a labelled data set containing disjoint yet related categories. Apart from discovering novel classes, we also aim at preserving the ability of the model to recognize previously seen base categories. Inspired by rehearsal-based incremental learning methods, in this paper we propose a novel approach for class-iNCD which prevents forgetting of past information about the base classes by jointly exploiting base class feature prototypes and feature-level knowledge distillation. We also propose a self-training clustering strategy that simultaneously clusters novel categories and trains a joint classifier for both the base and novel classes. This makes our method able to operate in a class-incremental setting. Our experiments, conducted on three common benchmarks, demonstrate that our method significantly outperforms state-of-the-art approaches. Code is available at https://github.com/OatmealLiu/class-iNCD

Ensembling is among the most popular tools in machine learning (ML) due to its effectiveness in minimizing variance and thus improving generalization. Most ensembling methods for black-box base learners fall under the umbrella of "stacked generalization," namely training an ML algorithm that takes the inferences from the base learners as input. While stacking has been widely applied in practice, its theoretical properties are poorly understood. In this paper, we prove a novel result, showing that choosing the best stacked generalization from a (finite or finite-dimensional) family of stacked generalizations based on cross-validated performance does not perform "much worse" than the oracle best. Our result strengthens and significantly extends the results in Van der Laan et al. (2007). Inspired by the theoretical analysis, we further propose a particular family of stacked generalizations in the context of probabilistic forecasting, each one with a different sensitivity for how much the ensemble weights are allowed to vary across items, timestamps in the forecast horizon, and quantiles. Experimental results demonstrate the performance gain of the proposed method.

Neural fields, which represent signals as a function parameterized by a neural network, are a promising alternative to traditional discrete vector or grid-based representations. Compared to discrete representations, neural representations both scale well with increasing resolution, are continuous, and can be many-times differentiable. However, given a dataset of signals that we would like to represent, having to optimize a separate neural field for each signal is inefficient, and cannot capitalize on shared information or structures among signals. Existing generalization methods view this as a meta-learning problem and employ gradient-based meta-learning to learn an initialization which is then fine-tuned with test-time optimization, or learn hypernetworks to produce the weights of a neural field. We instead propose a new paradigm that views the large-scale training of neural representations as a part of a partially-observed neural process framework, and leverage neural process algorithms to solve this task. We demonstrate that this approach outperforms both state-of-the-art gradient-based meta-learning approaches and hypernetwork approaches.

Despite significant advancements in multi-label text classification, the ability of existing models to generalize to novel and seldom-encountered complex concepts, which are compositions of elementary ones, remains underexplored. This research addresses this gap. By creating unique data splits across three benchmarks, we assess the compositional generalization ability of existing multi-label text classification models. Our results show that these models often fail to generalize to compositional concepts encountered infrequently during training, leading to inferior performance on tests with these new combinations. To address this, we introduce a data augmentation method that leverages two innovative text generation models designed to enhance the classification models' capacity for compositional generalization. Our experiments show that this data augmentation approach significantly improves the compositional generalization capabilities of classification models on our benchmarks, with both generation models surpassing other text generation baselines.

Generalization is arguably the most important goal of statistical language modeling research. Publicly available benchmarks and papers published with an open-source code have been critical to advancing the field. However, it is often very difficult, and sometimes even impossible, to reproduce the results fully as reported in publications. In this paper, we propose a simple framework that should help advance the state of the art in language modeling in terms of generalization. We propose to publish not just the code, but also probabilities on dev and test sets with future publications so that one can easily add the new model into an ensemble. This has crucial advantages: it is much easier to determine whether a newly proposed model is actually complementary to the current baseline. Therefore, instead of inventing new names for the old tricks, the scientific community can advance faster. Finally, this approach promotes diversity of ideas: one does not need to create an individual model that is the new state of the art to attract attention; it will be sufficient to develop a new model that learns patterns which other models do not. Thus, even a suboptimal model can be found to have value. Remarkably, our approach has yielded new state-of-the-art results across various language modeling benchmarks up to 10%.

This work breaks through the Base-New Tradeoff (BNT)dilemma in prompt tuning, i.e., the better the tuned model generalizes to the base (or target) task, the worse it generalizes to new tasks, and vice versa. Specifically, through an in-depth analysis of the learned features of the base and new tasks, we observe that the BNT stems from a channel bias issue, i.e., the vast majority of feature channels are occupied by base-specific knowledge, resulting in the collapse of taskshared knowledge important to new tasks. To address this, we propose the Decoupled Prompt Tuning (DePT) framework, which decouples base-specific knowledge from feature channels into an isolated feature space during prompt tuning, so as to maximally preserve task-shared knowledge in the original feature space for achieving better zero-shot generalization on new tasks. Importantly, our DePT is orthogonal to existing prompt tuning methods, hence it can improve all of them. Extensive experiments on 11 datasets show the strong flexibility and effectiveness of DePT. Our code and pretrained models are available at https://github.com/Koorye/DePT.

To process novel sentences, language models (LMs) must generalize compositionally -- combine familiar elements in new ways. What aspects of a model's structure promote compositional generalization? Focusing on transformers, we test the hypothesis, motivated by recent theoretical and empirical work, that transformers generalize more compositionally when they are deeper (have more layers). Because simply adding layers increases the total number of parameters, confounding depth and size, we construct three classes of models which trade off depth for width such that the total number of parameters is kept constant (41M, 134M and 374M parameters). We pretrain all models as LMs and fine-tune them on tasks that test for compositional generalization. We report three main conclusions: (1) after fine-tuning, deeper models generalize better out-of-distribution than shallower models do, but the relative benefit of additional layers diminishes rapidly; (2) within each family, deeper models show better language modeling performance, but returns are similarly diminishing; (3) the benefits of depth for compositional generalization cannot be attributed solely to better performance on language modeling or on in-distribution data.

Large language models exhibit surprising emergent generalization properties, yet also struggle on many simple reasoning tasks such as arithmetic and parity. This raises the question of if and when Transformer models can learn the true algorithm for solving a task. We study the scope of Transformers' abilities in the specific setting of length generalization on algorithmic tasks. Here, we propose a unifying framework to understand when and how Transformers can exhibit strong length generalization on a given task. Specifically, we leverage RASP (Weiss et al., 2021) -- a programming language designed for the computational model of a Transformer -- and introduce the RASP-Generalization Conjecture: Transformers tend to length generalize on a task if the task can be solved by a short RASP program which works for all input lengths. This simple conjecture remarkably captures most known instances of length generalization on algorithmic tasks. Moreover, we leverage our insights to drastically improve generalization performance on traditionally hard tasks (such as parity and addition). On the theoretical side, we give a simple example where the "min-degree-interpolator" model of learning from Abbe et al. (2023) does not correctly predict Transformers' out-of-distribution behavior, but our conjecture does. Overall, our work provides a novel perspective on the mechanisms of compositional generalization and the algorithmic capabilities of Transformers.

Humans (e.g., crowdworkers) have a remarkable ability in solving different tasks, by simply reading textual instructions that define them and looking at a few examples. Despite the success of the conventional supervised learning on individual datasets, such models often struggle with generalization across tasks (e.g., a question-answering system cannot solve classification tasks). A long-standing challenge in AI is to build a model that learns a new task by understanding the human-readable instructions that define it. To study this, we introduce NATURAL INSTRUCTIONS, a dataset of 61 distinct tasks, their human-authored instructions, and 193k task instances (input-output pairs). The instructions are obtained from crowdsourcing instructions used to create existing NLP datasets and mapped to a unified schema. Using this meta-dataset, we measure cross-task generalization by training models on seen tasks and measuring generalization to the remaining unseen ones. We adopt generative pre-trained language models to encode task-specific instructions along with input and generate task output. Our results indicate that models benefit from instructions when evaluated in terms of generalization to unseen tasks (19% better for models utilizing instructions). These models, however, are far behind an estimated performance upperbound indicating significant room for more progress in this direction.

In this paper, we consider a real-world scenario where a model that is trained on pre-defined classes continually encounters unlabeled data that contains both known and novel classes. The goal is to continually discover novel classes while maintaining the performance in known classes. We name the setting Continual Generalized Category Discovery (C-GCD). Existing methods for novel class discovery cannot directly handle the C-GCD setting due to some unrealistic assumptions, such as the unlabeled data only containing novel classes. Furthermore, they fail to discover novel classes in a continual fashion. In this work, we lift all these assumptions and propose an approach, called MetaGCD, to learn how to incrementally discover with less forgetting. Our proposed method uses a meta-learning framework and leverages the offline labeled data to simulate the testing incremental learning process. A meta-objective is defined to revolve around two conflicting learning objectives to achieve novel class discovery without forgetting. Furthermore, a soft neighborhood-based contrastive network is proposed to discriminate uncorrelated images while attracting correlated images. We build strong baselines and conduct extensive experiments on three widely used benchmarks to demonstrate the superiority of our method.

In this paper we propose to study generalization of neural networks on small algorithmically generated datasets. In this setting, questions about data efficiency, memorization, generalization, and speed of learning can be studied in great detail. In some situations we show that neural networks learn through a process of "grokking" a pattern in the data, improving generalization performance from random chance level to perfect generalization, and that this improvement in generalization can happen well past the point of overfitting. We also study generalization as a function of dataset size and find that smaller datasets require increasing amounts of optimization for generalization. We argue that these datasets provide a fertile ground for studying a poorly understood aspect of deep learning: generalization of overparametrized neural networks beyond memorization of the finite training dataset.

Few shot classification aims to learn to recognize novel categories using only limited samples per category. Most current few shot methods use a base dataset rich in labeled examples to train an encoder that is used for obtaining representations of support instances for novel classes. Since the test instances are from a distribution different to the base distribution, their feature representations are of poor quality, degrading performance. In this paper we propose to make use of the well-trained feature representations of the base dataset that are closest to each support instance to improve its representation during meta-test time. To this end, we propose BaseTransformers, that attends to the most relevant regions of the base dataset feature space and improves support instance representations. Experiments on three benchmark data sets show that our method works well for several backbones and achieves state-of-the-art results in the inductive one shot setting. Code is available at github.com/mayug/BaseTransformers

Grokking, i.e., test performance keeps improving long after training loss converged, has been recently witnessed in neural network training, making the mechanism of generalization and other emerging capabilities such as reasoning mysterious. While prior studies usually train small models on a few toy or highly-specific tasks for thousands of epochs, we conduct the first study of grokking on checkpoints during one-pass pretraining of a 7B large language model (LLM), i.e., OLMoE. We compute the training loss and evaluate generalization on diverse benchmark tasks, including math reasoning, code generation, and commonsense/domain-specific knowledge retrieval tasks. Our study, for the first time, verifies that grokking still happens in the pretraining of large-scale foundation models, though different data may enter grokking stages asynchronously. We further demystify grokking's "emergence of generalization" by investigating LLM internal dynamics. Specifically, we find that training samples' pathways (i.e., expert choices across layers) evolve from random, instance-specific to more structured and shareable between samples during grokking. Also, the complexity of a sample's pathway reduces despite the converged loss. These indicate a memorization-to-generalization conversion, providing a mechanistic explanation of delayed generalization. In the study, we develop two novel metrics to quantify pathway distance and the complexity of a single pathway. We show their ability to predict the generalization improvement on diverse downstream tasks. They are efficient, simple to compute and solely dependent on training data. Hence, they have practical value for pretraining, enabling us to monitor the generalization performance without finetuning and test. Theoretically, we show that more structured pathways reduce model complexity and improve the generalization bound.

Systematic, compositional generalization beyond the training distribution remains a core challenge in machine learning -- and a critical bottleneck for the emergent reasoning abilities of modern language models. This work investigates out-of-distribution (OOD) generalization in Transformer networks using a GSM8K-style modular arithmetic on computational graphs task as a testbed. We introduce and explore a set of four architectural mechanisms aimed at enhancing OOD generalization: (i) input-adaptive recurrence; (ii) algorithmic supervision; (iii) anchored latent representations via a discrete bottleneck; and (iv) an explicit error-correction mechanism. Collectively, these mechanisms yield an architectural approach for native and scalable latent space reasoning in Transformer networks with robust algorithmic generalization capabilities. We complement these empirical results with a detailed mechanistic interpretability analysis that reveals how these mechanisms give rise to robust OOD generalization abilities.

Despite being trained specifically to follow user instructions, today's instructiontuned language models perform poorly when instructed to produce random outputs. For example, when prompted to pick a number uniformly between one and ten Llama-2-13B-chat disproportionately favors the number five, and when tasked with picking a first name at random, Mistral-7B-Instruct chooses Avery 40 times more often than we would expect based on the U.S. population. When these language models are used for real-world tasks where diversity of outputs is crucial, such as language model assisted dataset construction, their inability to produce diffuse distributions over valid choices is a major hurdle. In this work, we propose a fine-tuning method that encourages language models to output distributions that are diffuse over valid outcomes. The methods we introduce generalize across a variety of tasks and distributions and make large language models practical for synthetic dataset generation with little human intervention.

As the demand for high-quality data in model training grows, researchers and developers are increasingly generating synthetic data to tune and train LLMs. A common assumption about synthetic data is that sampling from instruct-tuned models is sufficient; however, these models struggle to produce diverse outputs-a key requirement for generalization. Despite various prompting methods, in this work we show that achieving meaningful diversity from instruct-tuned models remains challenging. In contrast, we find base models without post-training exhibit greater diversity, but are less capable at instruction following and hence of lower quality. Leveraging this insight, we propose Base-Refine (BARE), a synthetic data generation method that combines the diversity of base models with the quality of instruct-tuned models through a two-stage process. With minimal few-shot examples and curation, BARE generates diverse and high-quality datasets, improving downstream task performance. We show that fine-tuning with as few as 1,000 BARE-generated samples can reach performance comparable to the best similarly sized models on LiveCodeBench tasks. Furthermore, fine-tuning with BARE-generated data achieves a 101% improvement over instruct-only data on GSM8K and a 18.4% improvement over SOTA methods on RAFT.

The proliferation of pretrained models, as a result of advancements in pretraining techniques, has led to the emergence of a vast zoo of publicly available models. Effectively utilizing these resources to obtain models with robust out-of-distribution generalization capabilities for downstream tasks has become a crucial area of research. Previous research has primarily focused on identifying the most powerful models within the model zoo, neglecting to fully leverage the diverse inductive biases contained within. This paper argues that the knowledge contained in weaker models is valuable and presents a method for leveraging the diversity within the model zoo to improve out-of-distribution generalization capabilities. Specifically, we investigate the behaviors of various pretrained models across different domains of downstream tasks by characterizing the variations in their encoded representations in terms of two dimensions: diversity shift and correlation shift. This characterization enables us to propose a new algorithm for integrating diverse pretrained models, not limited to the strongest models, in order to achieve enhanced out-of-distribution generalization performance. Our proposed method demonstrates state-of-the-art empirical results on a variety of datasets, thus validating the benefits of utilizing diverse knowledge.

Recent diagnostic datasets on compositional generalization, such as SCAN (Lake and Baroni, 2018) and COGS (Kim and Linzen, 2020), expose severe problems in models trained from scratch on these datasets. However, in contrast to this poor performance, state-of-the-art models trained on larger and more general datasets show better generalization ability. In this work, to reconcile this inconsistency, we conduct an empirical analysis by training Transformer models on a variety of training sets with different data factors, including dataset scale, pattern complexity, example difficulty, etc. First, we show that increased dataset complexity can lead to better generalization behavior on multiple different generalization challenges. To further understand this improvement, we show two axes of the benefit from more complex datasets: they provide more diverse examples so compositional understanding becomes more effective, and they also prevent ungeneralizable memorization of the examples due to reduced example repetition frequency. Finally, we explore how training examples of different difficulty levels influence generalization differently. On synthetic datasets, simple examples invoke stronger compositionality than hard examples do. On larger-scale real language datasets, while hard examples become more important potentially to ensure decent data coverage, a balanced mixture of simple and hard examples manages to induce the strongest generalizability. The code and data for this work are available at https://github.com/owenzx/data4comp

We aim to understand grokking, a phenomenon where models generalize long after overfitting their training set. We present both a microscopic analysis anchored by an effective theory and a macroscopic analysis of phase diagrams describing learning performance across hyperparameters. We find that generalization originates from structured representations whose training dynamics and dependence on training set size can be predicted by our effective theory in a toy setting. We observe empirically the presence of four learning phases: comprehension, grokking, memorization, and confusion. We find representation learning to occur only in a "Goldilocks zone" (including comprehension and grokking) between memorization and confusion. We find on transformers the grokking phase stays closer to the memorization phase (compared to the comprehension phase), leading to delayed generalization. The Goldilocks phase is reminiscent of "intelligence from starvation" in Darwinian evolution, where resource limitations drive discovery of more efficient solutions. This study not only provides intuitive explanations of the origin of grokking, but also highlights the usefulness of physics-inspired tools, e.g., effective theories and phase diagrams, for understanding deep learning.

Recent large-scale language models (LLMs) with long Chain-of-Thought reasoning-such as DeepSeek-R1-have achieved impressive results on Olympiad-level mathematics benchmarks. However, they often rely on a narrow set of strategies and struggle with problems that require a novel way of thinking. To systematically investigate these limitations, we introduce OMEGA-Out-of-distribution Math Problems Evaluation with 3 Generalization Axes-a controlled yet diverse benchmark designed to evaluate three axes of out-of-distribution generalization, inspired by Boden's typology of creativity: (1) Exploratory-applying known problem solving skills to more complex instances within the same problem domain; (2) Compositional-combining distinct reasoning skills, previously learned in isolation, to solve novel problems that require integrating these skills in new and coherent ways; and (3) Transformative-adopting novel, often unconventional strategies by moving beyond familiar approaches to solve problems more effectively. OMEGA consists of programmatically generated training-test pairs derived from templated problem generators across geometry, number theory, algebra, combinatorics, logic, and puzzles, with solutions verified using symbolic, numerical, or graphical methods. We evaluate frontier (or top-tier) LLMs and observe sharp performance degradation as problem complexity increases. Moreover, we fine-tune the Qwen-series models across all generalization settings and observe notable improvements in exploratory generalization, while compositional generalization remains limited and transformative reasoning shows little to no improvement. By isolating and quantifying these fine-grained failures, OMEGA lays the groundwork for advancing LLMs toward genuine mathematical creativity beyond mechanical proficiency.

With the growing interest in pretrained vision-language models like CLIP, recent research has focused on adapting these models to downstream tasks. Despite achieving promising results, most existing methods require labeled data for all classes, which may not hold in real-world applications due to the long tail and Zipf's law. For example, some classes may lack labeled data entirely, such as emerging concepts. To address this problem, we propose a plug-and-play generative approach called SyntHesIzed Prompts~(SHIP) to improve existing fine-tuning methods. Specifically, we follow variational autoencoders to introduce a generator that reconstructs the visual features by inputting the synthesized prompts and the corresponding class names to the textual encoder of CLIP. In this manner, we easily obtain the synthesized features for the remaining label-only classes. Thereafter, we fine-tune CLIP with off-the-shelf methods by combining labeled and synthesized features. Extensive experiments on base-to-new generalization, cross-dataset transfer learning, and generalized zero-shot learning demonstrate the superiority of our approach. The code is available at https://github.com/mrflogs/SHIP.

Despite their widespread success, the application of deep neural networks to functional data remains scarce today. The infinite dimensionality of functional data means standard learning algorithms can be applied only after appropriate dimension reduction, typically achieved via basis expansions. Currently, these bases are chosen a priori without the information for the task at hand and thus may not be effective for the designated task. We instead propose to adaptively learn these bases in an end-to-end fashion. We introduce neural networks that employ a new Basis Layer whose hidden units are each basis functions themselves implemented as a micro neural network. Our architecture learns to apply parsimonious dimension reduction to functional inputs that focuses only on information relevant to the target rather than irrelevant variation in the input function. Across numerous classification/regression tasks with functional data, our method empirically outperforms other types of neural networks, and we prove that our approach is statistically consistent with low generalization error. Code is available at: https://github.com/jwyyy/AdaFNN.

Neural networks adapt very well to distributed and continuous representations, but struggle to generalize from small amounts of data. Symbolic systems commonly achieve data efficient generalization by exploiting modularity to benefit from local and discrete features of a representation. These features allow symbolic programs to be improved one module at a time and to experience combinatorial growth in the values they can successfully process. However, it is difficult to design a component that can be used to form symbolic abstractions and which is adequately overparametrized to learn arbitrary high-dimensional transformations. I present Graph-based Symbolically Synthesized Neural Networks (G-SSNNs), a class of neural modules that operate on representations modified with synthesized symbolic programs to include a fixed set of local and discrete features. I demonstrate that the choice of injected features within a G-SSNN module modulates the data efficiency and generalization of baseline neural models, creating predictable patterns of both heightened and curtailed generalization. By training G-SSNNs, we also derive information about desirable semantics of symbolic programs without manual engineering. This information is compact and amenable to abstraction, but can also be flexibly recontextualized for other high-dimensional settings. In future work, I will investigate data efficient generalization and the transferability of learned symbolic representations in more complex G-SSNN designs based on more complex classes of symbolic programs. Experimental code and data are available at https://github.com/shlomenu/symbolically_synthesized_networks .

Length generalization, defined as the ability to extrapolate from shorter training sequences to longer test ones, is a significant challenge for language models. This issue persists even with large-scale Transformers handling relatively straightforward tasks. In this paper, we test the Transformer's ability of length generalization using the task of addition of two integers. We show that the success of length generalization is intricately linked to the data format and the type of position encoding. Using the right combination of data format and position encodings, we show for the first time that standard Transformers can extrapolate to a sequence length that is 2.5x the input length. Nevertheless, unlike in-distribution generalization, length generalization remains fragile, significantly influenced by factors like random weight initialization and training data order, leading to large variances across different random seeds.

Large language models often struggle with zero-shot generalization, and several modular approaches have been proposed to address this challenge. Yet, we hypothesize that a key limitation remains: the entanglement of general knowledge and task-specific adaptations. To overcome this, we propose a modular framework that disentangles these components by constructing a library of task-specific LoRA modules alongside a general-domain LoRA. By subtracting this general knowledge component from each task-specific module, we obtain residual modules that focus more exclusively on task-relevant information, a method we call general knowledge subtraction (GenKnowSub). Leveraging the refined task-specific modules and the Arrow routing algorithm ostapenko2024towards, we dynamically select and combine modules for new inputs without additional training. Our studies on the Phi-3 model and standard Arrow as baselines reveal that using general knowledge LoRAs derived from diverse languages, including English, French, and German, yields consistent performance gains in both monolingual and cross-lingual settings across a wide set of benchmarks. Further experiments on Phi-2 demonstrate how GenKnowSub generalizes to weaker LLMs. The complete code and data are available at https://github.com/saharsamr/Modular-LLM.

Real-world scenarios are usually accompanied by continuously appearing classes with scare labeled samples, which require the machine learning model to incrementally learn new classes and maintain the knowledge of base classes. In this Few-Shot Class-Incremental Learning (FSCIL) scenario, existing methods either introduce extra learnable components or rely on a frozen feature extractor to mitigate catastrophic forgetting and overfitting problems. However, we find a tendency for existing methods to misclassify the samples of new classes into base classes, which leads to the poor performance of new classes. In other words, the strong discriminability of base classes distracts the classification of new classes. To figure out this intriguing phenomenon, we observe that although the feature extractor is only trained on base classes, it can surprisingly represent the semantic similarity between the base and unseen new classes. Building upon these analyses, we propose a simple yet effective Training-frEE calibratioN (TEEN) strategy to enhance the discriminability of new classes by fusing the new prototypes (i.e., mean features of a class) with weighted base prototypes. In addition to standard benchmarks in FSCIL, TEEN demonstrates remarkable performance and consistent improvements over baseline methods in the few-shot learning scenario. Code is available at: https://github.com/wangkiw/TEEN

We investigate the use of randomly generated data for the sake of pre-training a model. We justify this approach theoretically from the perspective of algorithmic complexity, building on recent research that shows that sequence models can be trained to approximate Solomonoff induction. We derive similar, but complementary theoretical results. We show empirically that synthetically generated data can be used to pre-train a model before the data is seen. We replicate earlier results that models trained this way show zero-shot in-context learning across a variety of datasets, and that this performance improves with scale. We extend earlier results to real-world data, and show that finetuning a model after pre-training offers faster convergence and better generalization.

Rote learning is a memorization technique based on repetition. It is commonly believed to hinder generalization by encouraging verbatim memorization rather than deeper understanding. This insight holds for even learning factual knowledge that inevitably requires a certain degree of memorization. In this work, we demonstrate that LLMs can be trained to generalize from rote memorized data. We introduce a two-phase memorize-then-generalize framework, where the model first rote memorizes factual subject-object associations using a semantically meaningless token and then learns to generalize by fine-tuning on a small set of semantically meaningful prompts. Extensive experiments over 8 LLMs show that the models can reinterpret rote memorized data through the semantically meaningful prompts, as evidenced by the emergence of structured, semantically aligned latent representations between the two. This surprising finding opens the door to both effective and efficient knowledge injection and possible risks of repurposing the memorized data for malicious usage.

Out-of-distribution (OOD) generalization is a favorable yet challenging property for deep neural networks. The core challenges lie in the limited availability of source domains that help models learn an invariant representation from the spurious features. Various domain augmentation have been proposed but largely rely on interpolating existing domains and frequently face difficulties in creating truly "novel" domains. Humans, on the other hand, can easily extrapolate novel domains, thus, an intriguing question arises: How can neural networks extrapolate like humans and achieve OOD generalization? We introduce a novel approach to domain extrapolation that leverages reasoning ability and the extensive knowledge encapsulated within large language models (LLMs) to synthesize entirely new domains. Starting with the class of interest, we query the LLMs to extract relevant knowledge for these novel domains. We then bridge the gap between the text-centric knowledge derived from LLMs and the pixel input space of the model using text-to-image generation techniques. By augmenting the training set of domain generalization datasets with high-fidelity, photo-realistic images of these new domains, we achieve significant improvements over all existing methods, as demonstrated in both single and multi-domain generalization across various benchmarks. With the ability to extrapolate any domains for any class, our method has the potential to learn a generalized model for any task without any data. To illustrate, we put forth a much more difficult setting termed, data-free domain generalization, that aims to learn a generalized model in the absence of any collected data. Our empirical findings support the above argument and our methods exhibit commendable performance in this setting, even surpassing the supervised setting by approximately 1-2\% on datasets such as VLCS.

While recent work has convincingly showed that sequence-to-sequence models struggle to generalize to new compositions (termed compositional generalization), little is known on what makes compositional generalization hard on a particular test instance. In this work, we investigate what are the factors that make generalization to certain test instances challenging. We first substantiate that indeed some examples are more difficult than others by showing that different models consistently fail or succeed on the same test instances. Then, we propose a criterion for the difficulty of an example: a test instance is hard if it contains a local structure that was not observed at training time. We formulate a simple decision rule based on this criterion and empirically show it predicts instance-level generalization well across 5 different semantic parsing datasets, substantially better than alternative decision rules. Last, we show local structures can be leveraged for creating difficult adversarial compositional splits and also to improve compositional generalization under limited training budgets by strategically selecting examples for the training set.

Understanding and accurately following instructions is critical for large language models (LLMs) to be effective across diverse tasks. In this work, we rigorously examine the key factors that enable models to generalize to unseen instructions, providing insights to guide the collection of data for instruction-tuning. Through controlled experiments, inspired by the Turing-complete Markov algorithm, we demonstrate that such generalization only emerges when training data is diversified enough across semantic domains. Our findings also reveal that merely diversifying within limited domains fails to ensure robust generalization. In contrast, cross-domain data diversification, even under constrained data budgets, significantly enhances a model's adaptability. We further extend our analysis to real-world scenarios, including fine-tuning of $textbf{specialist} and textbf{generalist}$ models. In both cases, we demonstrate that 1) better performance can be achieved by increasing the diversity of an established dataset while keeping the data size constant, and 2) when scaling up the data, diversifying the semantics of instructions is more effective than simply increasing the quantity of similar data. Our research provides important insights for dataset collation, particularly when optimizing model performance by expanding training data for both specialist and generalist scenarios. We show that careful consideration of data diversification is key: training specialist models with data extending beyond their core domain leads to significant performance improvements, while generalist models benefit from diverse data mixtures that enhance their overall instruction-following capabilities across a wide range of applications. Our results highlight the critical role of strategic diversification and offer clear guidelines for improving data quality.

How well can NLP models generalize to a variety of unseen tasks when provided with task instructions? To address this question, we first introduce Super-NaturalInstructions, a benchmark of 1,616 diverse NLP tasks and their expert-written instructions. Our collection covers 76 distinct task types, including but not limited to classification, extraction, infilling, sequence tagging, text rewriting, and text composition. This large and diverse collection of tasks enables rigorous benchmarking of cross-task generalization under instructions -- training models to follow instructions on a subset of tasks and evaluating them on the remaining unseen ones. Furthermore, we build Tk-Instruct, a transformer model trained to follow a variety of in-context instructions (plain language task definitions or k-shot examples). Our experiments show that Tk-Instruct outperforms existing instruction-following models such as InstructGPT by over 9% on our benchmark despite being an order of magnitude smaller. We further analyze generalization as a function of various scaling parameters, such as the number of observed tasks, the number of instances per task, and model sizes. We hope our dataset and model facilitate future progress towards more general-purpose NLP models.

Compositional generalization is the ability of generalizing novel compositions from seen primitives, and has received much attention in vision-and-language (V\&L) recently. Due to the multi-modal nature of V\&L tasks, the primitives composing compositions source from different modalities, resulting in multi-sourced novel compositions. However, the generalization ability over multi-sourced novel compositions, i.e., multi-sourced compositional generalization (MSCG) remains unexplored. In this paper, we explore MSCG in the context of visual question answering (VQA), and propose a retrieval-augmented training framework to enhance the MSCG ability of VQA models by learning unified representations for primitives from different modalities. Specifically, semantically equivalent primitives are retrieved for each primitive in the training samples, and the retrieved features are aggregated with the original primitive to refine the model. This process helps the model learn consistent representations for the same semantic primitives across different modalities. To evaluate the MSCG ability of VQA models, we construct a new GQA-MSCG dataset based on the GQA dataset, in which samples include three types of novel compositions composed of primitives from different modalities. Experimental results demonstrate the effectiveness of the proposed framework. We release GQA-MSCG at https://github.com/NeverMoreLCH/MSCG.

As large-scale text-to-image generation models have made remarkable progress in the field of text-to-image generation, many fine-tuning methods have been proposed. However, these models often struggle with novel objects, especially with one-shot scenarios. Our proposed method aims to address the challenges of generalizability and fidelity in an object-driven way, using only a single input image and the object-specific regions of interest. To improve generalizability and mitigate overfitting, in our paradigm, a prototypical embedding is initialized based on the object's appearance and its class, before fine-tuning the diffusion model. And during fine-tuning, we propose a class-characterizing regularization to preserve prior knowledge of object classes. To further improve fidelity, we introduce object-specific loss, which can also use to implant multiple objects. Overall, our proposed object-driven method for implanting new objects can integrate seamlessly with existing concepts as well as with high fidelity and generalization. Our method outperforms several existing works. The code will be released.

State-of-the-art machine learning methods exhibit limited compositional generalization. At the same time, there is a lack of realistic benchmarks that comprehensively measure this ability, which makes it challenging to find and evaluate improvements. We introduce a novel method to systematically construct such benchmarks by maximizing compound divergence while guaranteeing a small atom divergence between train and test sets, and we quantitatively compare this method to other approaches for creating compositional generalization benchmarks. We present a large and realistic natural language question answering dataset that is constructed according to this method, and we use it to analyze the compositional generalization ability of three machine learning architectures. We find that they fail to generalize compositionally and that there is a surprisingly strong negative correlation between compound divergence and accuracy. We also demonstrate how our method can be used to create new compositionality benchmarks on top of the existing SCAN dataset, which confirms these findings.

Whether neural networks can learn abstract reasoning or whether they merely rely on superficial statistics is a topic of recent debate. Here, we propose a dataset and challenge designed to probe abstract reasoning, inspired by a well-known human IQ test. To succeed at this challenge, models must cope with various generalisation `regimes' in which the training and test data differ in clearly-defined ways. We show that popular models such as ResNets perform poorly, even when the training and test sets differ only minimally, and we present a novel architecture, with a structure designed to encourage reasoning, that does significantly better. When we vary the way in which the test questions and training data differ, we find that our model is notably proficient at certain forms of generalisation, but notably weak at others. We further show that the model's ability to generalise improves markedly if it is trained to predict symbolic explanations for its answers. Altogether, we introduce and explore ways to both measure and induce stronger abstract reasoning in neural networks. Our freely-available dataset should motivate further progress in this direction.

We propose that small pretrained foundational generative language models with millions of parameters can be utilized as a general learning framework for sequence-based tasks. Our proposal overcomes the computational resource, skill set, and timeline challenges associated with training neural networks and language models from scratch. Further, our approach focuses on creating small and highly specialized models that can accurately execute a challenging task of which the base model is incapable of performing. We demonstrate that 125M, 350M, and 1.3B parameter pretrained foundational language models can be instruction fine-tuned with 10,000-to-1,000,000 instruction examples to achieve near state-of-the-art results on challenging cheminformatics tasks. We also demonstrate the role of successive language model fine-tuning epochs on improved outcomes, as well as the importance of both data formatting and pretrained foundational language model selection for instruction fine-tuning success.

We propose expanding the shared Transformer module to produce and initialize Transformers of varying depths, enabling adaptation to diverse resource constraints. Drawing an analogy to genetic expansibility, we term such module as learngene. To identify the expansion mechanism, we delve into the relationship between the layer's position and its corresponding weight value, and find that linear function appropriately approximates this relationship. Building on this insight, we present Transformer as Linear Expansion of learnGene (TLEG), a novel approach for flexibly producing and initializing Transformers of diverse depths. Specifically, to learn learngene, we firstly construct an auxiliary Transformer linearly expanded from learngene, after which we train it through employing soft distillation. Subsequently, we can produce and initialize Transformers of varying depths via linearly expanding the well-trained learngene, thereby supporting diverse downstream scenarios. Extensive experiments on ImageNet-1K demonstrate that TLEG achieves comparable or better performance in contrast to many individual models trained from scratch, while reducing around 2x training cost. When transferring to several downstream classification datasets, TLEG surpasses existing initialization methods by a large margin (e.g., +6.87% on iNat 2019 and +7.66% on CIFAR-100). Under the situation where we need to produce models of varying depths adapting for different resource constraints, TLEG achieves comparable results while reducing around 19x parameters stored to initialize these models and around 5x pre-training costs, in contrast to the pre-training and fine-tuning approach. When transferring a fixed set of parameters to initialize different models, TLEG presents better flexibility and competitive performance while reducing around 2.9x parameters stored to initialize, compared to the pre-training approach.

Artificial intelligence (AI) systems, and Large Language Models (LLMs) in particular, are increasingly employed for creative tasks like scientific idea generation, constituting a form of generalization from training data unaddressed by existing conceptual frameworks. Despite its similarities to compositional generalization (CG), combinatorial creativity (CC) is an open-ended ability. Instead of evaluating for accuracy or correctness against fixed targets, which would contradict the open-ended nature of CC, we propose a theoretical framework and algorithmic task for evaluating outputs by their degrees of novelty and utility. From here, we make several important empirical contributions: (1) We obtain the first insights into the scaling behavior of creativity for LLMs. (2) We discover that, for fixed compute budgets, there exist optimal model depths and widths for creative ability. (3) We find that the ideation-execution gap, whereby LLMs excel at generating novel scientific ideas but struggle to ensure their practical feasibility, may be explained by a more fundamental novelty-utility tradeoff characteristic of creativity algorithms in general. Importantly, this tradeoff remains persistent even at scale, casting doubt on the long-term creative potential of LLMs in their current form. Together, our conceptual framework and empirical findings provide a foundation for understanding and improving creativity in modern AI models, bridging the gap between human and machine intelligence.

Reliable generalization lies at the heart of safe ML and AI. However, understanding when and how neural networks generalize remains one of the most important unsolved problems in the field. In this work, we conduct an extensive empirical study (20'910 models, 15 tasks) to investigate whether insights from the theory of computation can predict the limits of neural network generalization in practice. We demonstrate that grouping tasks according to the Chomsky hierarchy allows us to forecast whether certain architectures will be able to generalize to out-of-distribution inputs. This includes negative results where even extensive amounts of data and training time never lead to any non-trivial generalization, despite models having sufficient capacity to fit the training data perfectly. Our results show that, for our subset of tasks, RNNs and Transformers fail to generalize on non-regular tasks, LSTMs can solve regular and counter-language tasks, and only networks augmented with structured memory (such as a stack or memory tape) can successfully generalize on context-free and context-sensitive tasks.

Generalization to novel compound tasks under distribution shift is important for deploying transformer-based language models (LMs). This work investigates Chain-of-Thought (CoT) reasoning as a means to enhance OOD generalization. Through controlled experiments across several compound tasks, we reveal three key insights: (1) While QA-trained models achieve near-perfect in-distribution accuracy, their OOD performance degrades catastrophically, even with 10000k+ training examples; (2) the granularity of CoT data strongly correlates with generalization performance; finer-grained CoT data leads to better generalization; (3) CoT exhibits remarkable sample efficiency, matching QA performance with much less (even 80%) data. Theoretically, we demonstrate that compound tasks inherently permit shortcuts in Q-A data that misalign with true reasoning principles, while CoT forces internalization of valid dependency structures, and thus can achieve better generalization. Further, we show that transformer positional embeddings can amplify generalization by emphasizing subtask condition recurrence in long CoT sequences. Our combined theoretical and empirical analysis provides compelling evidence for CoT reasoning as a crucial training paradigm for enabling LM generalization under real-world distributional shifts for compound tasks.

Large language models have evolved data-efficient generalists, benefiting from the universal language interface and large-scale pre-training. However, constructing a data-efficient generalist for dense visual prediction presents a distinct challenge due to the variation in label structures across different tasks. Consequently, generalization to unseen dense prediction tasks in the low-data regime is not straightforward and has received less attention from previous vision generalists. In this study, we explore a universal model that can flexibly adapt to unseen dense label structures with a few examples, enabling it to serve as a data-efficient vision generalist in diverse real-world scenarios. To this end, we base our method on a powerful meta-learning framework and explore several axes to improve its performance and versatility for real-world problems, such as flexible adaptation mechanisms and scalability. We evaluate our model across a spectrum of unseen real-world scenarios where low-shot learning is desirable, including video, 3D, medical, biological, and user-interactive tasks. Equipped with a generic architecture and an effective adaptation mechanism, our model flexibly adapts to all of these tasks with at most 50 labeled images, showcasing a significant advancement over existing data-efficient generalist approaches. Codes are available at https://github.com/GitGyun/chameleon.

Large Language Models trained on web-scale text acquire language generation abilities that can solve a wide range of tasks, particularly when task knowledge is refined into the generative prior using in-context examples. However, spurious features learned from noisy data hinder their generalizability. Supervised finetuning can introduce task specificity, but introduce data inefficiency. Prior studies indicate that (i) noisy neural circuitries coexist with generalizable ones within LLMs, and (ii) finetuning typically enhances (or suppresses) existing abilities without introducing newer ones. Building upon these, we propose TaRot, a novel method for task adaptation. TaRot intervenes in the neural circuitries using learnable rotation matrices that are optimized using Bayesian Optimization, on labelled samples in the order of standard few-shot prompting examples. Experiments on multiple classification and generation tasks using LLMs of varying sizes reveal the efficacy of TaRot, improving upon both zero- as well as few-shot performance, with average improvements (across models and tasks) of 23.81% and 11.15%, respectively. The source code is available at https://github.com/joykirat18/TaRot

Multimodal large language models (MLLMs) hold significant potential in the medical field, but their capabilities are often limited by insufficient data in certain medical domains, highlighting the need for understanding what kinds of images can be used by MLLMs for generalization. Current research suggests that multi-task training outperforms single-task as different tasks can benefit each other, but they often overlook the internal relationships within these tasks, providing limited guidance on selecting datasets to enhance specific tasks. To analyze this phenomenon, we attempted to employ compositional generalization (CG)-the ability of models to understand novel combinations by recombining learned elements-as a guiding framework. Since medical images can be precisely defined by Modality, Anatomical area, and Task, naturally providing an environment for exploring CG. Therefore, we assembled 106 medical datasets to create Med-MAT for comprehensive experiments. The experiments confirmed that MLLMs can use CG to understand unseen medical images and identified CG as one of the main drivers of the generalization observed in multi-task training. Additionally, further studies demonstrated that CG effectively supports datasets with limited data and delivers consistent performance across different backbones, highlighting its versatility and broad applicability. Med-MAT is publicly available at https://github.com/FreedomIntelligence/Med-MAT.

A major goal of unsupervised learning is to discover data representations that are useful for subsequent tasks, without access to supervised labels during training. Typically, this involves minimizing a surrogate objective, such as the negative log likelihood of a generative model, with the hope that representations useful for subsequent tasks will arise as a side effect. In this work, we propose instead to directly target later desired tasks by meta-learning an unsupervised learning rule which leads to representations useful for those tasks. Specifically, we target semi-supervised classification performance, and we meta-learn an algorithm -- an unsupervised weight update rule -- that produces representations useful for this task. Additionally, we constrain our unsupervised update rule to a be a biologically-motivated, neuron-local function, which enables it to generalize to different neural network architectures, datasets, and data modalities. We show that the meta-learned update rule produces useful features and sometimes outperforms existing unsupervised learning techniques. We further show that the meta-learned unsupervised update rule generalizes to train networks with different widths, depths, and nonlinearities. It also generalizes to train on data with randomly permuted input dimensions and even generalizes from image datasets to a text task.

Instruction tuning -- fine-tuning a large language model (LLM) on pairs of instructions and desired outcomes -- is an approach that enables pre-trained language models to perform real-world tasks and follow human instructions. Its practical success depends on the model learning a broader set of instructions than those it was trained on. Yet the factors that determine model generalization to such unseen tasks are not well understood. %To understand the driving factors of generalization, In this paper, we experiment with string rewrites, a symbolic task that serves as a building block for Turing complete Markov algorithms while allowing experimental control of "inputs" and "instructions". We investigate the trade-off between the number of instructions the model is trained on and the number of training samples provided for each instruction and observe that the diversity of the instruction set determines generalization. Generalization emerges once a diverse enough set of tasks is provided, even though very few examples are provided for each task. Instruction diversity also ensures robustness with respect to non-uniform distributions of instructions in the training set.

This paper considers the learning of logical (Boolean) functions with focus on the generalization on the unseen (GOTU) setting, a strong case of out-of-distribution generalization. This is motivated by the fact that the rich combinatorial nature of data in certain reasoning tasks (e.g., arithmetic/logic) makes representative data sampling challenging, and learning successfully under GOTU gives a first vignette of an 'extrapolating' or 'reasoning' learner. We then study how different network architectures trained by (S)GD perform under GOTU and provide both theoretical and experimental evidence that for a class of network models including instances of Transformers, random features models, and diagonal linear networks, a min-degree-interpolator (MDI) is learned on the unseen. We also provide evidence that other instances with larger learning rates or mean-field networks reach leaky MDIs. These findings lead to two implications: (1) we provide an explanation to the length generalization problem (e.g., Anil et al. 2022); (2) we introduce a curriculum learning algorithm called Degree-Curriculum that learns monomials more efficiently by incrementing supports.

Although disentangled representations are often said to be beneficial for downstream tasks, current empirical and theoretical understanding is limited. In this work, we provide evidence that disentangled representations coupled with sparse base-predictors improve generalization. In the context of multi-task learning, we prove a new identifiability result that provides conditions under which maximally sparse base-predictors yield disentangled representations. Motivated by this theoretical result, we propose a practical approach to learn disentangled representations based on a sparsity-promoting bi-level optimization problem. Finally, we explore a meta-learning version of this algorithm based on group Lasso multiclass SVM base-predictors, for which we derive a tractable dual formulation. It obtains competitive results on standard few-shot classification benchmarks, while each task is using only a fraction of the learned representations.

Much research in machine learning involves finding appropriate inductive biases (e.g. convolutional neural networks, momentum-based optimizers, transformers) to promote generalization on tasks. However, quantification of the amount of inductive bias associated with these architectures and hyperparameters has been limited. We propose a novel method for efficiently computing the inductive bias required for generalization on a task with a fixed training data budget; formally, this corresponds to the amount of information required to specify well-generalizing models within a specific hypothesis space of models. Our approach involves modeling the loss distribution of random hypotheses drawn from a hypothesis space to estimate the required inductive bias for a task relative to these hypotheses. Unlike prior work, our method provides a direct estimate of inductive bias without using bounds and is applicable to diverse hypothesis spaces. Moreover, we derive approximation error bounds for our estimation approach in terms of the number of sampled hypotheses. Consistent with prior results, our empirical results demonstrate that higher dimensional tasks require greater inductive bias. We show that relative to other expressive model classes, neural networks as a model class encode large amounts of inductive bias. Furthermore, our measure quantifies the relative difference in inductive bias between different neural network architectures. Our proposed inductive bias metric provides an information-theoretic interpretation of the benefits of specific model architectures for certain tasks and provides a quantitative guide to developing tasks requiring greater inductive bias, thereby encouraging the development of more powerful inductive biases.

Novel Class Discovery (NCD) is a growing field where we are given during training a labeled set of known classes and an unlabeled set of different classes that must be discovered. In recent years, many methods have been proposed to address this problem, and the field has begun to mature. In this paper, we provide a comprehensive survey of the state-of-the-art NCD methods. We start by formally defining the NCD problem and introducing important notions. We then give an overview of the different families of approaches, organized by the way they transfer knowledge from the labeled set to the unlabeled set. We find that they either learn in two stages, by first extracting knowledge from the labeled data only and then applying it to the unlabeled data, or in one stage by conjointly learning on both sets. For each family, we describe their general principle and detail a few representative methods. Then, we briefly introduce some new related tasks inspired by the increasing number of NCD works. We also present some common tools and techniques used in NCD, such as pseudo labeling, self-supervised learning and contrastive learning. Finally, to help readers unfamiliar with the NCD problem differentiate it from other closely related domains, we summarize some of the closest areas of research and discuss their main differences.

State-of-the-art natural language processing models have been shown to achieve remarkable performance in 'closed-world' settings where all the labels in the evaluation set are known at training time. However, in real-world settings, 'novel' instances that do not belong to any known class are often observed. This renders the ability to deal with novelties crucial. To initiate a systematic research in this important area of 'dealing with novelties', we introduce 'NoveltyTask', a multi-stage task to evaluate a system's performance on pipelined novelty 'detection' and 'accommodation' tasks. We provide mathematical formulation of NoveltyTask and instantiate it with the authorship attribution task that pertains to identifying the correct author of a given text. We use Amazon reviews corpus and compile a large dataset (consisting of 250k instances across 200 authors/labels) for NoveltyTask. We conduct comprehensive experiments and explore several baseline methods for the task. Our results show that the methods achieve considerably low performance making the task challenging and leaving sufficient room for improvement. Finally, we believe our work will encourage research in this underexplored area of dealing with novelties, an important step en route to developing robust systems.

Transformer models can use two fundamentally different kinds of information: information stored in weights during training, and information provided ``in-context'' at inference time. In this work, we show that transformers exhibit different inductive biases in how they represent and generalize from the information in these two sources. In particular, we characterize whether they generalize via parsimonious rules (rule-based generalization) or via direct comparison with observed examples (exemplar-based generalization). This is of important practical consequence, as it informs whether to encode information in weights or in context, depending on how we want models to use that information. In transformers trained on controlled stimuli, we find that generalization from weights is more rule-based whereas generalization from context is largely exemplar-based. In contrast, we find that in transformers pre-trained on natural language, in-context learning is significantly rule-based, with larger models showing more rule-basedness. We hypothesise that rule-based generalization from in-context information might be an emergent consequence of large-scale training on language, which has sparse rule-like structure. Using controlled stimuli, we verify that transformers pretrained on data containing sparse rule-like structure exhibit more rule-based generalization.

Single-task models have proven pivotal in solving specific tasks; however, they have limitations in real-world applications where multi-tasking is necessary and domain shifts are exhibited. Recently, instructional prompts have shown significant improvement towards multi-task generalization; however, the effect of instructional prompts and Multi-Task Learning (MTL) has not been systematically studied in the biomedical domain. Motivated by this, this paper explores the impact of instructional prompts for biomedical MTL. We introduce the BoX, a collection of 32 instruction tasks for Biomedical NLP across (X) various categories. Using this meta-dataset, we propose a unified model termed In-BoXBART, that can jointly learn all tasks of the BoX without any task-specific modules. To the best of our knowledge, this is the first attempt to propose a unified model in the biomedical domain and use instructions to achieve generalization across several biomedical tasks. Experimental results indicate that the proposed model: 1) outperforms the single-task baseline by ~3% and multi-task (without instruction) baseline by ~18% on an average, and 2) shows ~23% improvement compared to the single-task baseline in few-shot learning (i.e., 32 instances per task) on an average. Our analysis indicates that there is significant room for improvement across tasks in the BoX, implying the scope for future research direction.

Understanding alignment techniques begins with comprehending zero-shot generalization brought by instruction tuning, but little of the mechanism has been understood. Existing work has largely been confined to the task level, without considering that tasks are artificially defined and, to LLMs, merely consist of tokens and representations. To bridge this gap, we investigate zero-shot generalization from the perspective of the data itself. We first demonstrate that zero-shot generalization happens very early during instruction tuning, with loss serving as a stable indicator. Next, we investigate training data arrangement through similarity and granularity perspectives, confirming that the timing of exposure to certain training examples may greatly facilitate generalization on unseen tasks. Finally, we propose a more grounded training data arrangement framework, Test-centric Multi-turn Arrangement, and show its effectiveness in promoting continual learning and further loss reduction. For the first time, we show that zero-shot generalization during instruction tuning is a form of similarity-based generalization between training and test data at the instance level. Our code is released at https://github.com/thunlp/Dynamics-of-Zero-Shot-Generalization.

Recently, recurrent models such as state space models and linear attention have become popular due to their linear complexity in the sequence length. Thanks to their recurrent nature, in principle they can process arbitrarily long sequences, but their performance sometimes drops considerably beyond their training context lengths-i.e. they fail to length generalize. In this work, we provide comprehensive empirical and theoretical analysis to support the unexplored states hypothesis, which posits that models fail to length generalize when during training they are only exposed to a limited subset of the distribution of all attainable states (i.e. states that would be attained if the recurrence was applied to long sequences). Furthermore, we investigate simple training interventions that aim to increase the coverage of the states that the model is trained on, e.g. by initializing the state with Gaussian noise or with the final state of a different input sequence. With only 500 post-training steps (sim 0.1% of the pre-training budget), these interventions enable length generalization for sequences that are orders of magnitude longer than the training context (e.g. 2klongrightarrow 128k) and show improved performance in long context tasks, thus presenting a simple and efficient way to enable robust length generalization in general recurrent models.

We present a meta-learning framework for learning new visual concepts quickly, from just one or a few examples, guided by multiple naturally occurring data streams: simultaneously looking at images, reading sentences that describe the objects in the scene, and interpreting supplemental sentences that relate the novel concept with other concepts. The learned concepts support downstream applications, such as answering questions by reasoning about unseen images. Our model, namely FALCON, represents individual visual concepts, such as colors and shapes, as axis-aligned boxes in a high-dimensional space (the "box embedding space"). Given an input image and its paired sentence, our model first resolves the referential expression in the sentence and associates the novel concept with particular objects in the scene. Next, our model interprets supplemental sentences to relate the novel concept with other known concepts, such as "X has property Y" or "X is a kind of Y". Finally, it infers an optimal box embedding for the novel concept that jointly 1) maximizes the likelihood of the observed instances in the image, and 2) satisfies the relationships between the novel concepts and the known ones. We demonstrate the effectiveness of our model on both synthetic and real-world datasets.

The surprising ability of Large Language Models (LLMs) to perform well on complex reasoning with only few-shot chain-of-thought prompts is believed to emerge only in very large-scale models (100+ billion parameters). We show that such abilities can, in fact, be distilled down from GPT-3.5 (ge 175B) to T5 variants (le 11B). We propose model specialization, to specialize the model's ability towards a target task. The hypothesis is that large models (commonly viewed as larger than 100B) have strong modeling power, but are spread on a large spectrum of tasks. Small models (commonly viewed as smaller than 10B) have limited model capacity, but if we concentrate their capacity on a specific target task, the model can achieve a decent improved performance. We use multi-step math reasoning as our testbed because it is a very typical emergent ability. We show two important aspects of model abilities: (1). there exists a very complex balance/ tradeoff between language models' multi-dimensional abilities; (2). by paying the price of decreased generic ability, we can clearly lift up the scaling curve of models smaller than 10B towards a specialized multi-step math reasoning ability. We further give comprehensive discussions about important design choices for better generalization, including the tuning data format, the start model checkpoint, and a new model selection method. We hope our practice and discoveries can serve as an important attempt towards specialized smaller models in the new research paradigm set by LLMs.

Humans can understand and produce new utterances effortlessly, thanks to their compositional skills. Once a person learns the meaning of a new verb "dax," he or she can immediately understand the meaning of "dax twice" or "sing and dax." In this paper, we introduce the SCAN domain, consisting of a set of simple compositional navigation commands paired with the corresponding action sequences. We then test the zero-shot generalization capabilities of a variety of recurrent neural networks (RNNs) trained on SCAN with sequence-to-sequence methods. We find that RNNs can make successful zero-shot generalizations when the differences between training and test commands are small, so that they can apply "mix-and-match" strategies to solve the task. However, when generalization requires systematic compositional skills (as in the "dax" example above), RNNs fail spectacularly. We conclude with a proof-of-concept experiment in neural machine translation, suggesting that lack of systematicity might be partially responsible for neural networks' notorious training data thirst.

Supervised fine-tuning (SFT) and reinforcement learning (RL) are widely used post-training techniques for foundation models. However, their roles in enhancing model generalization capabilities remain unclear. This paper studies the difference between SFT and RL on generalization and memorization, focusing on text-based rule variants and visual variants. We introduce GeneralPoints, an arithmetic reasoning card game, and adopt V-IRL, a real-world navigation environment, to assess how models trained with SFT and RL generalize to unseen variants in both textual and visual domains. We show that RL, especially when trained with an outcome-based reward, generalizes across both rule-based textual and visual variants. SFT, in contrast, tends to memorize training data and struggles to generalize out-of-distribution scenarios. Further analysis reveals that RL improves the model's underlying visual recognition capabilities, contributing to its enhanced generalization in the visual domain. Despite RL's superior generalization, we show that SFT remains essential for effective RL training; SFT stabilizes the model's output format, enabling subsequent RL to achieve its performance gains. These findings demonstrates the capability of RL for acquiring generalizable knowledge in complex, multi-modal tasks.

Recent advances in Large Reasoning Models (LRMs) trained with Long Chain-of-Thought (Long CoT) reasoning have demonstrated remarkable cross-domain generalization capabilities. However, the underlying mechanisms supporting such transfer remain poorly understood. We hypothesize that cross-domain generalization arises from shared abstract reasoning prototypes -- fundamental reasoning patterns that capture the essence of problems across domains. These prototypes minimize the nuances of the representation, revealing that seemingly diverse tasks are grounded in shared reasoning structures.Based on this hypothesis, we propose ProtoReasoning, a framework that enhances the reasoning ability of LLMs by leveraging scalable and verifiable prototypical representations (Prolog for logical reasoning, PDDL for planning).ProtoReasoning features: (1) an automated prototype construction pipeline that transforms problems into corresponding prototype representations; (2) a comprehensive verification system providing reliable feedback through Prolog/PDDL interpreters; (3) the scalability to synthesize problems arbitrarily within prototype space while ensuring correctness. Extensive experiments show that ProtoReasoning achieves 4.7% improvement over baseline models on logical reasoning (Enigmata-Eval), 6.3% improvement on planning tasks, 4.0% improvement on general reasoning (MMLU) and 1.0% on mathematics (AIME24). Significantly, our ablation studies confirm that learning in prototype space also demonstrates enhanced generalization to structurally similar problems compared to training solely on natural language representations, validating our hypothesis that reasoning prototypes serve as the foundation for generalizable reasoning in large language models.

Graph neural networks (GNNs) are the most widely adopted model in graph-structured data oriented learning and representation. Despite their extraordinary success in real-world applications, understanding their working mechanism by theory is still on primary stage. In this paper, we move towards this goal from the perspective of generalization. To be specific, we first establish high probability bounds of generalization gap and gradients in transductive learning with consideration of stochastic optimization. After that, we provide high probability bounds of generalization gap for popular GNNs. The theoretical results reveal the architecture specific factors affecting the generalization gap. Experimental results on benchmark datasets show the consistency between theoretical results and empirical evidence. Our results provide new insights in understanding the generalization of GNNs.

We study the ability of foundation models to learn representations for classification that are transferable to new, unseen classes. Recent results in the literature show that representations learned by a single classifier over many classes are competitive on few-shot learning problems with representations learned by special-purpose algorithms designed for such problems. In this paper we provide an explanation for this behavior based on the recently observed phenomenon that the features learned by overparameterized classification networks show an interesting clustering property, called neural collapse. We demonstrate both theoretically and empirically that neural collapse generalizes to new samples from the training classes, and -- more importantly -- to new classes as well, allowing foundation models to provide feature maps that work well in transfer learning and, specifically, in the few-shot setting.

Chain-of-thought prompting has demonstrated remarkable performance on various natural language reasoning tasks. However, it tends to perform poorly on tasks which requires solving problems harder than the exemplars shown in the prompts. To overcome this challenge of easy-to-hard generalization, we propose a novel prompting strategy, least-to-most prompting. The key idea in this strategy is to break down a complex problem into a series of simpler subproblems and then solve them in sequence. Solving each subproblem is facilitated by the answers to previously solved subproblems. Our experimental results on tasks related to symbolic manipulation, compositional generalization, and math reasoning reveal that least-to-most prompting is capable of generalizing to more difficult problems than those seen in the prompts. A notable finding is that when the GPT-3 code-davinci-002 model is used with least-to-most prompting, it can solve the compositional generalization benchmark SCAN in any split (including length split) with an accuracy of at least 99% using just 14 exemplars, compared to only 16% accuracy with chain-of-thought prompting. This is particularly noteworthy because neural-symbolic models in the literature that specialize in solving SCAN are trained on the entire training set containing over 15,000 examples. We have included prompts for all the tasks in the Appendix.

Learning representations that generalize under distribution shifts is critical for building robust machine learning models. However, despite significant efforts in recent years, algorithmic advances in this direction have been limited. In this work, we seek to understand the fundamental difficulty of out-of-distribution generalization with deep neural networks. We first empirically show that perhaps surprisingly, even allowing a neural network to explicitly fit the representations obtained from a teacher network that can generalize out-of-distribution is insufficient for the generalization of the student network. Then, by a theoretical study of two-layer ReLU networks optimized by stochastic gradient descent (SGD) under a structured feature model, we identify a fundamental yet unexplored feature learning proclivity of neural networks, feature contamination: neural networks can learn uncorrelated features together with predictive features, resulting in generalization failure under distribution shifts. Notably, this mechanism essentially differs from the prevailing narrative in the literature that attributes the generalization failure to spurious correlations. Overall, our results offer new insights into the non-linear feature learning dynamics of neural networks and highlight the necessity of considering inductive biases in out-of-distribution generalization.

We introduce the Autoregressive Block-Based Iterative Encoder (AbbIE), a novel recursive generalization of the encoder-only Transformer architecture, which achieves better perplexity than a standard Transformer and allows for the dynamic scaling of compute resources at test time. This simple, recursive approach is a complement to scaling large language model (LLM) performance through parameter and token counts. AbbIE performs its iterations in latent space, but unlike latent reasoning models, does not require a specialized dataset or training protocol. We show that AbbIE upward generalizes (ability to generalize to arbitrary iteration lengths) at test time by only using 2 iterations during train time, far outperforming alternative iterative methods. AbbIE's ability to scale its computational expenditure based on the complexity of the task gives it an up to 12\% improvement in zero-shot in-context learning tasks versus other iterative and standard methods and up to 5\% improvement in language perplexity. The results from this study open a new avenue to Transformer performance scaling. We perform all of our evaluations on model sizes up to 350M parameters.

Large language models (LLMs) such as GPT-4 sometimes appear to be creative, solving novel tasks often with a few demonstrations in the prompt. These tasks require the models to generalize on distributions different from those from training data -- which is known as out-of-distribution (OOD) generalization. Despite the tremendous success of LLMs, how they approach OOD generalization remains an open and underexplored question. We examine OOD generalization in settings where instances are generated according to hidden rules, including in-context learning with symbolic reasoning. Models are required to infer the hidden rules behind input prompts without any fine-tuning. We empirically examined the training dynamics of Transformers on a synthetic example and conducted extensive experiments on a variety of pretrained LLMs, focusing on a type of components known as induction heads. We found that OOD generalization and composition are tied together -- models can learn rules by composing two self-attention layers, thereby achieving OOD generalization. Furthermore, a shared latent subspace in the embedding (or feature) space acts as a bridge for composition by aligning early layers and later layers, which we refer to as the common bridge representation hypothesis.

Foundation models are redefining how AI systems are built. Practitioners now follow a standard procedure to build their machine learning solutions: from a pre-trained foundation model, they fine-tune the weights on the target task of interest. So, the Internet is swarmed by a handful of foundation models fine-tuned on many diverse tasks: these individual fine-tunings exist in isolation without benefiting from each other. In our opinion, this is a missed opportunity, as these specialized models contain rich and diverse features. In this paper, we thus propose model ratatouille, a new strategy to recycle the multiple fine-tunings of the same foundation model on diverse auxiliary tasks. Specifically, we repurpose these auxiliary weights as initializations for multiple parallel fine-tunings on the target task; then, we average all fine-tuned weights to obtain the final model. This recycling strategy aims at maximizing the diversity in weights by leveraging the diversity in auxiliary tasks. Empirically, it improves the state of the art on the reference DomainBed benchmark for out-of-distribution generalization. Looking forward, this work contributes to the emerging paradigm of updatable machine learning where, akin to open-source software development, the community collaborates to reliably update machine learning models.

The advent of the Transformer has led to the development of large language models (LLM), which appear to demonstrate human-like capabilities. To assess the generality of this class of models and a variety of other base neural network architectures to multimodal domains, we evaluated and compared their capacity for multimodal generalization. We introduce a multimodal question-answer benchmark to evaluate three specific types of out-of-distribution (OOD) generalization performance: distractor generalization (generalization in the presence of distractors), systematic compositional generalization (generalization to new task permutations), and productive compositional generalization (generalization to more complex tasks structures). We found that across model architectures (e.g., RNNs, Transformers, Perceivers, etc.), models with multiple attention layers, or models that leveraged cross-attention mechanisms between input domains, fared better. Our positive results demonstrate that for multimodal distractor and systematic generalization, either cross-modal attention or models with deeper attention layers are key architectural features required to integrate multimodal inputs. On the other hand, neither of these architectural features led to productive generalization, suggesting fundamental limitations of existing architectures for specific types of multimodal generalization. These results demonstrate the strengths and limitations of specific architectural components underlying modern neural models for multimodal reasoning. Finally, we provide Generic COG (gCOG), a configurable benchmark with several multimodal generalization splits, for future studies to explore.

With infinitely many high-quality data points, infinite computational power, an infinitely large foundation model with a perfect training algorithm and guaranteed zero generalization error on the pretext task, can the model be used for everything? This question cannot be answered by the existing theory of representation, optimization or generalization, because the issues they mainly investigate are assumed to be nonexistent here. In this paper, we show that category theory provides powerful machinery to answer this question. We have proved three results. The first one limits the power of prompt-based learning, saying that the model can solve a downstream task with prompts if and only if the task is representable. The second one says fine tuning does not have this limit, as a foundation model with the minimum required power (up to symmetry) can theoretically solve downstream tasks for the category defined by pretext task, with fine tuning and enough resources. Our final result can be seen as a new type of generalization theorem, showing that the foundation model can generate unseen objects from the target category (e.g., images) using the structural information from the source category (e.g., texts). Along the way, we provide a categorical framework for supervised and self-supervised learning, which might be of independent interest.

We propose prototypical networks for the problem of few-shot classification, where a classifier must generalize to new classes not seen in the training set, given only a small number of examples of each new class. Prototypical networks learn a metric space in which classification can be performed by computing distances to prototype representations of each class. Compared to recent approaches for few-shot learning, they reflect a simpler inductive bias that is beneficial in this limited-data regime, and achieve excellent results. We provide an analysis showing that some simple design decisions can yield substantial improvements over recent approaches involving complicated architectural choices and meta-learning. We further extend prototypical networks to zero-shot learning and achieve state-of-the-art results on the CU-Birds dataset.

When do machine learning systems fail to generalize, and what mechanisms could improve their generalization? Here, we draw inspiration from cognitive science to argue that one weakness of machine learning systems is their failure to exhibit latent learning -- learning information that is not relevant to the task at hand, but that might be useful in a future task. We show how this perspective links failures ranging from the reversal curse in language modeling to new findings on agent-based navigation. We then highlight how cognitive science points to episodic memory as a potential part of the solution to these issues. Correspondingly, we show that a system with an oracle retrieval mechanism can use learning experiences more flexibly to generalize better across many of these challenges. We also identify some of the essential components for effectively using retrieval, including the importance of within-example in-context learning for acquiring the ability to use information across retrieved examples. In summary, our results illustrate one possible contributor to the relative data inefficiency of current machine learning systems compared to natural intelligence, and help to understand how retrieval methods can complement parametric learning to improve generalization.

Length generalization refers to the ability to extrapolate from short training sequences to long test sequences and is a challenge for current large language models. While prior work has proposed some architecture or data format changes to achieve length generalization, these proposals typically apply to a limited set of tasks. Building on prior scratchpad and Chain-of-Thought (CoT) techniques, we propose Turing Programs, a novel CoT strategy that decomposes an algorithmic task into steps mimicking the computation of a Turing Machine. This framework is both universal, as it can accommodate any algorithmic task, and simple, requiring only copying text from the context with small modifications. We show that by using Turing Programs, we obtain robust length generalization on a range of algorithmic tasks: addition, multiplication and in-context SGD. We then demonstrate that transformers achieve length generalization on random Turing Programs, suggesting that length generalization is possible for any algorithmic task. Finally, we theoretically prove that transformers can implement Turing Programs, constructing a simple RASP (Weiss et al.) program that simulates an arbitrary Turing machine.

Literature-Based Discovery (LBD) aims to discover new scientific knowledge by mining papers and generating hypotheses. Standard LBD is limited to predicting pairwise relations between discrete concepts (e.g., drug-disease links), and ignores critical contexts like experimental settings (e.g., a specific patient population where a drug is evaluated) and background motivations (e.g., to find drugs without specific side effects). We address these limitations with a novel formulation of contextualized-LBD (C-LBD): generating scientific hypotheses in natural language, while grounding them in a context that controls the hypothesis search space. We present a modeling framework using retrieval of ``inspirations'' from past scientific papers. Our evaluations reveal that GPT-4 tends to generate ideas with overall low technical depth and novelty, while our inspiration prompting approaches partially mitigate this issue. Our work represents a first step toward building language models that generate new ideas derived from scientific literature.

Pre-trained text-to-text transformers such as BART have achieved impressive performance across a range of NLP tasks. Recent study further shows that they can learn to generalize to novel tasks, by including task descriptions as part of the source sequence and training the model with (source, target) examples. At test time, these fine-tuned models can make inferences on new tasks using the new task descriptions as part of the input. However, this approach has potential limitations, as the model learns to solve individual (source, target) examples (i.e., at the instance level), instead of learning to solve tasks by taking all examples within a task as a whole (i.e., at the task level). To this end, we introduce Hypter, a framework that improves text-to-text transformer's generalization ability to unseen tasks by training a hypernetwork to generate task-specific, light-weight adapters from task descriptions. Experiments on ZEST dataset and a synthetic SQuAD dataset demonstrate that Hypter improves upon fine-tuning baselines. Notably, when using BART-Large as the main network, Hypter brings 11.3% comparative improvement on ZEST dataset.

OpenAI's Sora highlights the potential of video generation for developing world models that adhere to fundamental physical laws. However, the ability of video generation models to discover such laws purely from visual data without human priors can be questioned. A world model learning the true law should give predictions robust to nuances and correctly extrapolate on unseen scenarios. In this work, we evaluate across three key scenarios: in-distribution, out-of-distribution, and combinatorial generalization. We developed a 2D simulation testbed for object movement and collisions to generate videos deterministically governed by one or more classical mechanics laws. This provides an unlimited supply of data for large-scale experimentation and enables quantitative evaluation of whether the generated videos adhere to physical laws. We trained diffusion-based video generation models to predict object movements based on initial frames. Our scaling experiments show perfect generalization within the distribution, measurable scaling behavior for combinatorial generalization, but failure in out-of-distribution scenarios. Further experiments reveal two key insights about the generalization mechanisms of these models: (1) the models fail to abstract general physical rules and instead exhibit "case-based" generalization behavior, i.e., mimicking the closest training example; (2) when generalizing to new cases, models are observed to prioritize different factors when referencing training data: color > size > velocity > shape. Our study suggests that scaling alone is insufficient for video generation models to uncover fundamental physical laws, despite its role in Sora's broader success. See our project page at https://phyworld.github.io

While generative models produce high-quality images of concepts learned from a large-scale database, a user often wishes to synthesize instantiations of their own concepts (for example, their family, pets, or items). Can we teach a model to quickly acquire a new concept, given a few examples? Furthermore, can we compose multiple new concepts together? We propose Custom Diffusion, an efficient method for augmenting existing text-to-image models. We find that only optimizing a few parameters in the text-to-image conditioning mechanism is sufficiently powerful to represent new concepts while enabling fast tuning (~6 minutes). Additionally, we can jointly train for multiple concepts or combine multiple fine-tuned models into one via closed-form constrained optimization. Our fine-tuned model generates variations of multiple, new concepts and seamlessly composes them with existing concepts in novel settings. Our method outperforms several baselines and concurrent works, regarding both qualitative and quantitative evaluations, while being memory and computationally efficient.

Despite recent progress in offline learning, these methods are still trained and tested on the same environment. In this paper, we compare the generalization abilities of widely used online and offline learning methods such as online reinforcement learning (RL), offline RL, sequence modeling, and behavioral cloning. Our experiments show that offline learning algorithms perform worse on new environments than online learning ones. We also introduce the first benchmark for evaluating generalization in offline learning, collecting datasets of varying sizes and skill-levels from Procgen (2D video games) and WebShop (e-commerce websites). The datasets contain trajectories for a limited number of game levels or natural language instructions and at test time, the agent has to generalize to new levels or instructions. Our experiments reveal that existing offline learning algorithms struggle to match the performance of online RL on both train and test environments. Behavioral cloning is a strong baseline, outperforming state-of-the-art offline RL and sequence modeling approaches when trained on data from multiple environments and tested on new ones. Finally, we find that increasing the diversity of the data, rather than its size, improves performance on new environments for all offline learning algorithms. Our study demonstrates the limited generalization of current offline learning algorithms highlighting the need for more research in this area.

Transformer models pre-trained with a masked-language-modeling objective (e.g., BERT) encode commonsense knowledge as evidenced by behavioral probes; however, the extent to which this knowledge is acquired by systematic inference over the semantics of the pre-training corpora is an open question. To answer this question, we selectively inject verbalized knowledge into the minibatches of a BERT model during pre-training and evaluate how well the model generalizes to supported inferences. We find generalization does not improve over the course of pre-training, suggesting that commonsense knowledge is acquired from surface-level, co-occurrence patterns rather than induced, systematic reasoning.

Despite their massive size, successful deep artificial neural networks can exhibit a remarkably small difference between training and test performance. Conventional wisdom attributes small generalization error either to properties of the model family, or to the regularization techniques used during training. Through extensive systematic experiments, we show how these traditional approaches fail to explain why large neural networks generalize well in practice. Specifically, our experiments establish that state-of-the-art convolutional networks for image classification trained with stochastic gradient methods easily fit a random labeling of the training data. This phenomenon is qualitatively unaffected by explicit regularization, and occurs even if we replace the true images by completely unstructured random noise. We corroborate these experimental findings with a theoretical construction showing that simple depth two neural networks already have perfect finite sample expressivity as soon as the number of parameters exceeds the number of data points as it usually does in practice. We interpret our experimental findings by comparison with traditional models.

Generalized Category Discovery (GCD) is a classification task that aims to classify both base and novel classes in unlabeled images, using knowledge from a labeled dataset. In GCD, previous research overlooks scene information or treats it as noise, reducing its impact during model training. However, in this paper, we argue that scene information should be viewed as a strong prior for inferring novel classes. We attribute the misinterpretation of scene information to a key factor: the Ambiguity Challenge inherent in GCD. Specifically, novel objects in base scenes might be wrongly classified into base categories, while base objects in novel scenes might be mistakenly recognized as novel categories. Once the ambiguity challenge is addressed, scene information can reach its full potential, significantly enhancing the performance of GCD models. To more effectively leverage scene information, we propose the Modeling Object-Scene Associations (MOS) framework, which utilizes a simple MLP-based scene-awareness module to enhance GCD performance. It achieves an exceptional average accuracy improvement of 4% on the challenging fine-grained datasets compared to state-of-the-art methods, emphasizing its superior performance in fine-grained GCD. The code is publicly available at https://github.com/JethroPeng/MOS.

It is an important yet challenging setting to continually learn new tasks from a few examples. Although numerous efforts have been devoted to either continual learning or few-shot learning, little work has considered this new setting of few-shot continual learning (FSCL), which needs to minimize the catastrophic forgetting to the old tasks and gradually improve the ability of few-shot generalization. In this paper, we provide a first systematic study on FSCL and present an effective solution with deep neural networks. Our solution is based on the observation that continual learning of a task sequence inevitably interferes few-shot generalization, which makes it highly nontrivial to extend few-shot learning strategies to continual learning scenarios. We draw inspirations from the robust brain system and develop a method that (1) interdependently updates a pair of fast / slow weights for continual learning and few-shot learning to disentangle their divergent objectives, inspired by the biological model of meta-plasticity and fast / slow synapse; and (2) applies a brain-inspired two-step consolidation strategy to learn a task sequence without forgetting in the fast weights while improve generalization without overfitting in the slow weights. Extensive results on various benchmarks show that our method achieves a better performance than joint training of all the tasks ever seen. The ability of few-shot generalization is also substantially improved from incoming tasks and examples.

Length generalization, the ability to generalize from small training context sizes to larger ones, is a critical challenge in the development of Transformer-based language models. Positional encoding (PE) has been identified as a major factor influencing length generalization, but the exact impact of different PE schemes on extrapolation in downstream tasks remains unclear. In this paper, we conduct a systematic empirical study comparing the length generalization performance of decoder-only Transformers with five different position encoding approaches including Absolute Position Embedding (APE), T5's Relative PE, ALiBi, and Rotary, in addition to Transformers without positional encoding (NoPE). Our evaluation encompasses a battery of reasoning and mathematical tasks. Our findings reveal that the most commonly used positional encoding methods, such as ALiBi, Rotary, and APE, are not well suited for length generalization in downstream tasks. More importantly, NoPE outperforms other explicit positional encoding methods while requiring no additional computation. We theoretically demonstrate that NoPE can represent both absolute and relative PEs, but when trained with SGD, it mostly resembles T5's relative PE attention patterns. Finally, we find that scratchpad is not always helpful to solve length generalization and its format highly impacts the model's performance. Overall, our work suggests that explicit position embeddings are not essential for decoder-only Transformers to generalize well to longer sequences.

Neural network language models (LMs) have been shown to successfully capture complex linguistic knowledge. However, their utility for understanding language acquisition is still debated. We contribute to this debate by presenting a case study where we use LMs as simulated learners to derive novel experimental hypotheses to be tested with humans. We apply this paradigm to study cross-dative generalization (CDG): productive generalization of novel verbs across dative constructions (she pilked me the ball/she pilked the ball to me) -- acquisition of which is known to involve a large space of contextual features -- using LMs trained on child-directed speech. We specifically ask: "what properties of the training exposure facilitate a novel verb's generalization to the (unmodeled) alternate construction?" To answer this, we systematically vary the exposure context in which a novel dative verb occurs in terms of the properties of the theme and recipient, and then analyze the LMs' usage of the novel verb in the unmodeled dative construction. We find LMs to replicate known patterns of children's CDG, as a precondition to exploring novel hypotheses. Subsequent simulations reveal a nuanced role of the features of the novel verbs' exposure context on the LMs' CDG. We find CDG to be facilitated when the first postverbal argument of the exposure context is pronominal, definite, short, and conforms to the prototypical animacy expectations of the exposure dative. These patterns are characteristic of harmonic alignment in datives, where the argument with features ranking higher on the discourse prominence scale tends to precede the other. This gives rise to a novel hypothesis that CDG is facilitated insofar as the features of the exposure context -- in particular, its first postverbal argument -- are harmonically aligned. We conclude by proposing future experiments that can test this hypothesis in children.

We formalize and study a phenomenon called feature collapse that makes precise the intuitive idea that entities playing a similar role in a learning task receive similar representations. As feature collapse requires a notion of task, we leverage a simple but prototypical NLP task to study it. We start by showing experimentally that feature collapse goes hand in hand with generalization. We then prove that, in the large sample limit, distinct words that play identical roles in this NLP task receive identical local feature representations in a neural network. This analysis reveals the crucial role that normalization mechanisms, such as LayerNorm, play in feature collapse and in generalization.

Length generalization, the ability to solve problems of longer sequences than those observed during training, poses a core challenge of Transformer-based large language models (LLM). Although existing studies have predominantly focused on data-driven approaches for arithmetic operations and symbolic manipulation tasks, these approaches tend to be task-specific with limited overall performance. To pursue a more general solution, this paper focuses on a broader case of reasoning problems that are computable, i.e., problems that algorithms can solve, thus can be solved by the Turing Machine. From this perspective, this paper proposes Turing MAchine Imitation Learning (TAIL) to improve the length generalization ability of LLMs. TAIL synthesizes chain-of-thoughts (CoT) data that imitate the execution process of a Turing Machine by computer programs, which linearly expands the reasoning steps into atomic states to alleviate shortcut learning and explicit memory fetch mechanism to reduce the difficulties of dynamic and long-range data access in elementary operations. To validate the reliability and universality of TAIL, we construct a challenging synthetic dataset covering 8 classes of algorithms and 18 tasks. Without bells and whistles, TAIL significantly improves the length generalization ability as well as the performance of Qwen2.5-7B on various tasks using only synthetic data, surpassing previous methods and DeepSeek-R1. The experimental results reveal that the key concepts in the Turing Machine, instead of the thinking styles, are indispensable for TAIL for length generalization, through which the model exhibits read-and-write behaviors consistent with the properties of the Turing Machine in their attention layers. This work provides a promising direction for future research in the learning of LLM reasoning from synthetic data.

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.

Compositional understanding is crucial for human intelligence, yet it remains unclear whether contemporary vision models exhibit it. The dominant machine learning paradigm is built on the premise that scaling data and model sizes will improve out-of-distribution performance, including compositional generalization. We test this premise through controlled experiments that systematically vary data scale, concept diversity, and combination coverage. We find that compositional generalization is driven by data diversity, not mere data scale. Increased combinatorial coverage forces models to discover a linearly factored representational structure, where concepts decompose into additive components. We prove this structure is key to efficiency, enabling perfect generalization from few observed combinations. Evaluating pretrained models (DINO, CLIP), we find above-random yet imperfect performance, suggesting partial presence of this structure. Our work motivates stronger emphasis on constructing diverse datasets for compositional generalization, and considering the importance of representational structure that enables efficient compositional learning. Code available at https://github.com/oshapio/visual-compositional-generalization.

We propose Beam Tree Recursive Cell (BT-Cell) - a backpropagation-friendly framework to extend Recursive Neural Networks (RvNNs) with beam search for latent structure induction. We further extend this framework by proposing a relaxation of the hard top-k operators in beam search for better propagation of gradient signals. We evaluate our proposed models in different out-of-distribution splits in both synthetic and realistic data. Our experiments show that BTCell achieves near-perfect performance on several challenging structure-sensitive synthetic tasks like ListOps and logical inference while maintaining comparable performance in realistic data against other RvNN-based models. Additionally, we identify a previously unknown failure case for neural models in generalization to unseen number of arguments in ListOps. The code is available at: https://github.com/JRC1995/BeamTreeRecursiveCells.

Large Language Models (LLMs) are so powerful that they sometimes learn correlations between labels and features that are irrelevant to the task, leading to poor generalization on out-of-distribution data. We propose explanation-based finetuning as a general approach to mitigate LLMs' reliance on spurious correlations. Unlike standard finetuning where the model only predicts the answer given the input, we finetune the model to additionally generate a free-text explanation supporting its answer. To evaluate our method, we finetune the model on artificially constructed training sets containing different types of spurious cues, and test it on a test set without these cues. Compared to standard finetuning, our method makes GPT-3 (davinci) remarkably more robust against spurious cues in terms of accuracy drop across four classification tasks: ComVE (+1.2), CREAK (+9.1), e-SNLI (+15.4), and SBIC (+6.5). The efficacy generalizes across multiple model families and scales, with greater gains for larger models. Finally, our method also works well with explanations generated by the model, implying its applicability to more datasets without human-written explanations.

We study the effectiveness of a simple approach to develop a small base language model (LM) starting from an existing large base LM: first inherit a few transformer blocks from the larger LM, and then train this smaller model on a very small subset (0.1\%) of the raw pretraining data of the larger model. We call our simple recipe Inheritune and first demonstrate it for building a small base LM with 1.5B parameters using 1B tokens (and a starting few layers of larger LM of 3B parameters); we do this using a single A6000 GPU for less than half a day. Across 9 diverse evaluation datasets as well as the MMLU benchmark, the resulting model compares favorably to publicly available base models of 1B-2B size, some of which have been trained using 50-1000 times more tokens. We investigate Inheritune in a slightly different setting where we train small LMs utilizing larger LMs and their full pre-training dataset. Here we show that smaller LMs trained utilizing some of the layers of GPT2-medium (355M) and GPT-2-large (770M) can effectively match the val loss of their bigger counterparts when trained from scratch for the same number of training steps on OpenWebText dataset with 9B tokens. We analyze our recipe with extensive experiments and demonstrate it efficacy on diverse settings. Our code is available at https://github.com/sanyalsunny111/LLM-Inheritune.

As large language models (LLMs) become increasingly advanced, their ability to exhibit compositional generalization -- the capacity to combine learned skills in novel ways not encountered during training -- has garnered significant attention. This type of generalization, particularly in scenarios beyond training data, is also of great interest in the study of AI safety and alignment. A recent study introduced the SKILL-MIX evaluation, where models are tasked with composing a short paragraph demonstrating the use of a specified k-tuple of language skills. While small models struggled with composing even with k=3, larger models like GPT-4 performed reasonably well with k=5 and 6. In this paper, we employ a setup akin to SKILL-MIX to evaluate the capacity of smaller models to learn compositional generalization from examples. Utilizing a diverse set of language skills -- including rhetorical, literary, reasoning, theory of mind, and common sense -- GPT-4 was used to generate text samples that exhibit random subsets of k skills. Subsequent fine-tuning of 7B and 13B parameter models on these combined skill texts, for increasing values of k, revealed the following findings: (1) Training on combinations of k=2 and 3 skills results in noticeable improvements in the ability to compose texts with k=4 and 5 skills, despite models never having seen such examples during training. (2) When skill categories are split into training and held-out groups, models significantly improve at composing texts with held-out skills during testing despite having only seen training skills during fine-tuning, illustrating the efficacy of the training approach even with previously unseen skills. This study also suggests that incorporating skill-rich (potentially synthetic) text into training can substantially enhance the compositional capabilities of models.

Pre-trained language models (PLMs) are widely used to derive semantic representations from item metadata in recommendation and search. In sequential recommendation, PLMs enhance ID-based embeddings through textual metadata, while in product search, they align item characteristics with user intent. Recent studies suggest task and domain-specific fine-tuning are needed to improve representational power. This paper challenges this assumption, showing that Generalist Text Embedding Models (GTEs), pre-trained on large-scale corpora, can guarantee strong zero-shot performance without specialized adaptation. Our experiments demonstrate that GTEs outperform traditional and fine-tuned models in both sequential recommendation and product search. We attribute this to a superior representational power, as they distribute features more evenly across the embedding space. Finally, we show that compressing embedding dimensions by focusing on the most informative directions (e.g., via PCA) effectively reduces noise and improves the performance of specialized models. To ensure reproducibility, we provide our repository at https://split.to/gte4ps.

Neural networks often learn simple explanations that fit the majority of the data while memorizing exceptions that deviate from these explanations.This behavior leads to poor generalization when the learned explanations rely on spurious correlations. In this work, we formalize the interplay between memorization and generalization, showing that spurious correlations would particularly lead to poor generalization when are combined with memorization. Memorization can reduce training loss to zero, leaving no incentive to learn robust, generalizable patterns. To address this, we propose memorization-aware training (MAT), which uses held-out predictions as a signal of memorization to shift a model's logits. MAT encourages learning robust patterns invariant across distributions, improving generalization under distribution shifts.

Discovering novel concepts in unlabelled datasets and in a continuous manner is an important desideratum of lifelong learners. In the literature such problems have been partially addressed under very restricted settings, where novel classes are learned by jointly accessing a related labelled set (e.g., NCD) or by leveraging only a supervisedly pre-trained model (e.g., class-iNCD). In this work we challenge the status quo in class-iNCD and propose a learning paradigm where class discovery occurs continuously and truly unsupervisedly, without needing any related labelled set. In detail, we propose to exploit the richer priors from strong self-supervised pre-trained models (PTM). To this end, we propose simple baselines, composed of a frozen PTM backbone and a learnable linear classifier, that are not only simple to implement but also resilient under longer learning scenarios. We conduct extensive empirical evaluation on a multitude of benchmarks and show the effectiveness of our proposed baselines when compared with sophisticated state-of-the-art methods. The code is open source.

We tackle the problem of novel class discovery, which aims to learn novel classes without supervision based on labeled data from known classes. A key challenge lies in transferring the knowledge in the known-class data to the learning of novel classes. Previous methods mainly focus on building a shared representation space for knowledge transfer and often ignore modeling class relations. To address this, we introduce a class relation representation for the novel classes based on the predicted class distribution of a model trained on known classes. Empirically, we find that such class relation becomes less informative during typical discovery training. To prevent such information loss, we propose a novel knowledge distillation framework, which utilizes our class-relation representation to regularize the learning of novel classes. In addition, to enable a flexible knowledge distillation scheme for each data point in novel classes, we develop a learnable weighting function for the regularization, which adaptively promotes knowledge transfer based on the semantic similarity between the novel and known classes. To validate the effectiveness and generalization of our method, we conduct extensive experiments on multiple benchmarks, including CIFAR100, Stanford Cars, CUB, and FGVC-Aircraft datasets. Our results demonstrate that the proposed method outperforms the previous state-of-the-art methods by a significant margin on almost all benchmarks. Code is available at https://github.com/kleinzcy/Cr-KD-NCD{here}.

Much of recent progress in NLU was shown to be due to models' learning dataset-specific heuristics. We conduct a case study of generalization in NLI (from MNLI to the adversarially constructed HANS dataset) in a range of BERT-based architectures (adapters, Siamese Transformers, HEX debiasing), as well as with subsampling the data and increasing the model size. We report 2 successful and 3 unsuccessful strategies, all providing insights into how Transformer-based models learn to generalize.

Zero-shot learning (ZSL) aims at understanding unseen categories with no training examples from class-level descriptions. To improve the discriminative power of zero-shot learning, we model the visual learning process of unseen categories with inspiration from the psychology of human creativity for producing novel art. We relate ZSL to human creativity by observing that zero-shot learning is about recognizing the unseen and creativity is about creating a likable unseen. We introduce a learning signal inspired by creativity literature that explores the unseen space with hallucinated class-descriptions and encourages careful deviation of their visual feature generations from seen classes while allowing knowledge transfer from seen to unseen classes. Empirically, we show consistent improvement over the state of the art of several percents on the largest available benchmarks on the challenging task or generalized ZSL from a noisy text that we focus on, using the CUB and NABirds datasets. We also show the advantage of our approach on Attribute-based ZSL on three additional datasets (AwA2, aPY, and SUN). Code is available.

One way to enhance the reasoning capability of Large Language Models (LLMs) is to conduct Supervised Fine-Tuning (SFT) using Chain-of-Thought (CoT) annotations. This approach does not show sufficiently strong generalization ability, however, because the training only relies on the given CoT data. In math problem-solving, for example, there is usually only one annotated reasoning path for each question in the training data. Intuitively, it would be better for the algorithm to learn from multiple annotated reasoning paths given a question. To address this issue, we propose a simple yet effective approach called Reinforced Fine-Tuning (ReFT) to enhance the generalizability of learning LLMs for reasoning, with math problem-solving as an example. ReFT first warmups the model with SFT, and then employs on-line reinforcement learning, specifically the PPO algorithm in this paper, to further fine-tune the model, where an abundance of reasoning paths are automatically sampled given the question and the rewards are naturally derived from the ground-truth answers. Extensive experiments on GSM8K, MathQA, and SVAMP datasets show that ReFT significantly outperforms SFT, and the performance can be potentially further boosted by combining inference-time strategies such as majority voting and re-ranking. Note that ReFT obtains the improvement by learning from the same training questions as SFT, without relying on extra or augmented training questions. This indicates a superior generalization ability for ReFT.

According to the principle of compositional generalization, the meaning of a complex expression can be understood as a function of the meaning of its parts and of how they are combined. This principle is crucial for human language processing and also, arguably, for NLP models in the face of out-of-distribution data. However, many neural network models, including Transformers, have been shown to struggle with compositional generalization. In this paper, we hypothesize that forcing models to in-context learn can provide an inductive bias to promote compositional generalization. To test this hypothesis, we train a causal Transformer in a setting that renders ordinary learning very difficult: we present it with different orderings of the training instance and shuffle instance labels. This corresponds to training the model on all possible few-shot learning problems attainable from the dataset. The model can solve the task, however, by utilizing earlier examples to generalize to later ones (i.e. in-context learning). In evaluations on the datasets, SCAN, COGS, and GeoQuery, models trained in this manner indeed show improved compositional generalization. This indicates the usefulness of in-context learning problems as an inductive bias for generalization.

Constantly discovering novel concepts is crucial in evolving environments. This paper explores the underexplored task of Continual Generalized Category Discovery (C-GCD), which aims to incrementally discover new classes from unlabeled data while maintaining the ability to recognize previously learned classes. Although several settings are proposed to study the C-GCD task, they have limitations that do not reflect real-world scenarios. We thus study a more practical C-GCD setting, which includes more new classes to be discovered over a longer period, without storing samples of past classes. In C-GCD, the model is initially trained on labeled data of known classes, followed by multiple incremental stages where the model is fed with unlabeled data containing both old and new classes. The core challenge involves two conflicting objectives: discover new classes and prevent forgetting old ones. We delve into the conflicts and identify that models are susceptible to prediction bias and hardness bias. To address these issues, we introduce a debiased learning framework, namely Happy, characterized by Hardness-aware prototype sampling and soft entropy regularization. For the prediction bias, we first introduce clustering-guided initialization to provide robust features. In addition, we propose soft entropy regularization to assign appropriate probabilities to new classes, which can significantly enhance the clustering performance of new classes. For the harness bias, we present the hardness-aware prototype sampling, which can effectively reduce the forgetting issue for previously seen classes, especially for difficult classes. Experimental results demonstrate our method proficiently manages the conflicts of C-GCD and achieves remarkable performance across various datasets, e.g., 7.5% overall gains on ImageNet-100. Our code is publicly available at https://github.com/mashijie1028/Happy-CGCD.

Recently, sequence-to-sequence (seq2seq) models with the Transformer architecture have achieved remarkable performance on various conditional text generation tasks, such as machine translation. However, most of them are trained with teacher forcing with the ground truth label given at each time step, without being exposed to incorrectly generated tokens during training, which hurts its generalization to unseen inputs, that is known as the "exposure bias" problem. In this work, we propose to mitigate the conditional text generation problem by contrasting positive pairs with negative pairs, such that the model is exposed to various valid or incorrect perturbations of the inputs, for improved generalization. However, training the model with naive contrastive learning framework using random non-target sequences as negative examples is suboptimal, since they are easily distinguishable from the correct output, especially so with models pretrained with large text corpora. Also, generating positive examples requires domain-specific augmentation heuristics which may not generalize over diverse domains. To tackle this problem, we propose a principled method to generate positive and negative samples for contrastive learning of seq2seq models. Specifically, we generate negative examples by adding small perturbations to the input sequence to minimize its conditional likelihood, and positive examples by adding large perturbations while enforcing it to have a high conditional likelihood. Such "hard" positive and negative pairs generated using our method guides the model to better distinguish correct outputs from incorrect ones. We empirically show that our proposed method significantly improves the generalization of the seq2seq on three text generation tasks - machine translation, text summarization, and question generation.

The ability of language models to learn a task from a few examples in context has generated substantial interest. Here, we provide a perspective that situates this type of supervised few-shot learning within a much broader spectrum of meta-learned in-context learning. Indeed, we suggest that any distribution of sequences in which context non-trivially decreases loss on subsequent predictions can be interpreted as eliciting a kind of in-context learning. We suggest that this perspective helps to unify the broad set of in-context abilities that language models exhibit x2014 such as adapting to tasks from instructions or role play, or extrapolating time series. This perspective also sheds light on potential roots of in-context learning in lower-level processing of linguistic dependencies (e.g. coreference or parallel structures). Finally, taking this perspective highlights the importance of generalization, which we suggest can be studied along several dimensions: not only the ability to learn something novel, but also flexibility in learning from different presentations, and in applying what is learned. We discuss broader connections to past literature in meta-learning and goal-conditioned agents, and other perspectives on learning and adaptation. We close by suggesting that research on in-context learning should consider this broader spectrum of in-context capabilities and types of generalization.

The meaning of complex phrases in natural language is composed of their individual components. The task of compositional generalization evaluates a model's ability to understand new combinations of components. Previous studies trained smaller, task-specific models, which exhibited poor generalization. While large language models (LLMs) exhibit impressive generalization abilities on many tasks through in-context learning (ICL), their potential for compositional generalization remains unexplored. In this paper, we first empirically investigate prevailing ICL methods in compositional generalization. We find that they struggle with complex compositional questions due to cumulative errors in long reasoning steps and intricate logic required for tool-making. Consequently, we propose a human-guided tool manipulation framework (HTM) that generates tools for sub-questions and integrates multiple tools. Our method enhances the effectiveness of tool creation and usage with minimal human effort. Experiments show that our method achieves state-of-the-art performance on two compositional generalization benchmarks and outperforms existing methods on the most challenging test split by 70%.

This paper, for the first time, marries large foundation models with human sketch understanding. We demonstrate what this brings -- a paradigm shift in terms of generalised sketch representation learning (e.g., classification). This generalisation happens on two fronts: (i) generalisation across unknown categories (i.e., open-set), and (ii) generalisation traversing abstraction levels (i.e., good and bad sketches), both being timely challenges that remain unsolved in the sketch literature. Our design is intuitive and centred around transferring the already stellar generalisation ability of CLIP to benefit generalised learning for sketches. We first "condition" the vanilla CLIP model by learning sketch-specific prompts using a novel auxiliary head of raster to vector sketch conversion. This importantly makes CLIP "sketch-aware". We then make CLIP acute to the inherently different sketch abstraction levels. This is achieved by learning a codebook of abstraction-specific prompt biases, a weighted combination of which facilitates the representation of sketches across abstraction levels -- low abstract edge-maps, medium abstract sketches in TU-Berlin, and highly abstract doodles in QuickDraw. Our framework surpasses popular sketch representation learning algorithms in both zero-shot and few-shot setups and in novel settings across different abstraction boundaries.

Several data augmentation methods deploy unlabeled-in-distribution (UID) data to bridge the gap between the training and inference of neural networks. However, these methods have clear limitations in terms of availability of UID data and dependence of algorithms on pseudo-labels. Herein, we propose a data augmentation method to improve generalization in both adversarial and standard learning by using out-of-distribution (OOD) data that are devoid of the abovementioned issues. We show how to improve generalization theoretically using OOD data in each learning scenario and complement our theoretical analysis with experiments on CIFAR-10, CIFAR-100, and a subset of ImageNet. The results indicate that undesirable features are shared even among image data that seem to have little correlation from a human point of view. We also present the advantages of the proposed method through comparison with other data augmentation methods, which can be used in the absence of UID data. Furthermore, we demonstrate that the proposed method can further improve the existing state-of-the-art adversarial training.

The goal of machine learning is generalization. While the No Free Lunch Theorem states that we cannot obtain theoretical guarantees for generalization without further assumptions, in practice we observe that simple models which explain the training data generalize best: a principle called Occam's razor. Despite the need for simple models, most current approaches in machine learning only minimize the training error, and at best indirectly promote simplicity through regularization or architecture design. Here, we draw a connection between Occam's razor and in-context learning: an emergent ability of certain sequence models like Transformers to learn at inference time from past observations in a sequence. In particular, we show that the next-token prediction loss used to train in-context learners is directly equivalent to a data compression technique called prequential coding, and that minimizing this loss amounts to jointly minimizing both the training error and the complexity of the model that was implicitly learned from context. Our theory and the empirical experiments we use to support it not only provide a normative account of in-context learning, but also elucidate the shortcomings of current in-context learning methods, suggesting ways in which they can be improved. We make our code available at https://github.com/3rdCore/PrequentialCode.

Modern machine learning requires system designers to specify aspects of the learning pipeline, such as losses, architectures, and optimizers. Meta-learning, or learning-to-learn, instead aims to learn those aspects, and promises to unlock greater capabilities with less manual effort. One particularly ambitious goal of meta-learning is to train general-purpose in-context learning algorithms from scratch, using only black-box models with minimal inductive bias. Such a model takes in training data, and produces test-set predictions across a wide range of problems, without any explicit definition of an inference model, training loss, or optimization algorithm. In this paper we show that Transformers and other black-box models can be meta-trained to act as general-purpose in-context learners. We characterize transitions between algorithms that generalize, algorithms that memorize, and algorithms that fail to meta-train at all, induced by changes in model size, number of tasks, and meta-optimization. We further show that the capabilities of meta-trained algorithms are bottlenecked by the accessible state size (memory) determining the next prediction, unlike standard models which are thought to be bottlenecked by parameter count. Finally, we propose practical interventions such as biasing the training distribution that improve the meta-training and meta-generalization of general-purpose in-context learning algorithms.

This paper presents a novel technique based on gradient boosting to train the final layers of a neural network (NN). Gradient boosting is an additive expansion algorithm in which a series of models are trained sequentially to approximate a given function. A neural network can also be seen as an additive expansion where the scalar product of the responses of the last hidden layer and its weights provide the final output of the network. Instead of training the network as a whole, the proposed algorithm trains the network sequentially in T steps. First, the bias term of the network is initialized with a constant approximation that minimizes the average loss of the data. Then, at each step, a portion of the network, composed of J neurons, is trained to approximate the pseudo-residuals on the training data computed from the previous iterations. Finally, the T partial models and bias are integrated as a single NN with T times J neurons in the hidden layer. Extensive experiments in classification and regression tasks, as well as in combination with deep neural networks, are carried out showing a competitive generalization performance with respect to neural networks trained with different standard solvers, such as Adam, L-BFGS, SGD and deep models. Furthermore, we show that the proposed method design permits to switch off a number of hidden units during test (the units that were last trained) without a significant reduction of its generalization ability. This permits the adaptation of the model to different classification speed requirements on the fly.

One of the most surprising puzzles in neural network generalisation is grokking: a network with perfect training accuracy but poor generalisation will, upon further training, transition to perfect generalisation. We propose that grokking occurs when the task admits a generalising solution and a memorising solution, where the generalising solution is slower to learn but more efficient, producing larger logits with the same parameter norm. We hypothesise that memorising circuits become more inefficient with larger training datasets while generalising circuits do not, suggesting there is a critical dataset size at which memorisation and generalisation are equally efficient. We make and confirm four novel predictions about grokking, providing significant evidence in favour of our explanation. Most strikingly, we demonstrate two novel and surprising behaviours: ungrokking, in which a network regresses from perfect to low test accuracy, and semi-grokking, in which a network shows delayed generalisation to partial rather than perfect test accuracy.

We investigate the capabilities of transformer large language models (LLMs) on relational reasoning tasks involving abstract symbols. Such tasks have long been studied in the neuroscience literature as fundamental building blocks for more complex abilities in programming, mathematics, and verbal reasoning. For (i) regression tasks, we prove that transformers generalize when trained, but require astonishingly large quantities of training data. For (ii) next-token-prediction tasks with symbolic labels, we show an "inverse scaling law": transformers fail to generalize as their embedding dimension increases. For both settings (i) and (ii), we propose subtle transformer modifications which can reduce the amount of data needed by adding two trainable parameters per head.

Transformer-based models trained on large and general purpose datasets consisting of molecular strings have recently emerged as a powerful tool for successfully modeling various structure-property relations. Inspired by this success, we extend the paradigm of training chemical language transformers on large-scale chemical datasets to generative tasks in this work. Specifically, we propose GP-MoLFormer, an autoregressive molecular string generator that is trained on more than 1.1B (billion) chemical SMILES. GP-MoLFormer uses a 46.8M parameter transformer decoder model with linear attention and rotary positional encodings as the base architecture. GP-MoLFormer's utility is evaluated and compared with that of existing baselines on three different tasks: de novo generation, scaffold-constrained molecular decoration, and unconstrained property-guided optimization. While the first two are handled with no additional training, we propose a parameter-efficient fine-tuning method for the last task, which uses property-ordered molecular pairs as input. We call this new approach pair-tuning. Our results show GP-MoLFormer performs better or comparable with baselines across all three tasks, demonstrating its general utility for a variety of molecular generation tasks. We further report strong memorization of training data in GP-MoLFormer generations, which has so far remained unexplored for chemical language models. Our analyses reveal that training data memorization and novelty in generations are impacted by the quality and scale of the training data; duplication bias in training data can enhance memorization at the cost of lowering novelty. We further establish a scaling law relating inference compute and novelty in generations.

We describe our team's contribution to the STRICT-SMALL track of the BabyLM Challenge. The challenge requires training a language model from scratch using only a relatively small training dataset of ten million words. We experiment with three variants of cognitively-motivated curriculum learning and analyze their effect on the performance of the model on linguistic evaluation tasks. In the vocabulary curriculum, we analyze methods for constraining the vocabulary in the early stages of training to simulate cognitively more plausible learning curves. In the data curriculum experiments, we vary the order of the training instances based on i) infant-inspired expectations and ii) the learning behavior of the model. In the objective curriculum, we explore different variations of combining the conventional masked language modeling task with a more coarse-grained word class prediction task to reinforce linguistic generalization capabilities. Our results did not yield consistent improvements over our own non-curriculum learning baseline across a range of linguistic benchmarks; however, we do find marginal gains on select tasks. Our analysis highlights key takeaways for specific combinations of tasks and settings which benefit from our proposed curricula. We moreover determine that careful selection of model architecture, and training hyper-parameters yield substantial improvements over the default baselines provided by the BabyLM challenge.

Current language models are unable to quickly learn new concepts on the fly, often requiring a more involved finetuning process to learn robustly. Prompting in-context is not robust to context distractions, and often fails to confer much information about the new concepts. Classic methods for few-shot word learning in NLP, relying on global word vectors, are less applicable to large language models. In this paper, we introduce a novel approach named CoLLEGe (Concept Learning with Language Embedding Generation) to modernize few-shot concept learning. CoLLEGe is a meta-learning framework capable of generating flexible embeddings for new concepts using a small number of example sentences or definitions. Our primary meta-learning objective is simply to facilitate a language model to make next word predictions in forthcoming sentences, making it compatible with language model pretraining. We design a series of tasks to test new concept learning in challenging real-world scenarios, including new word acquisition, definition inference, and verbal reasoning, and demonstrate that our method succeeds in each setting without task-specific training.

The rise of large language models (LLMs) has raised concerns about machine-generated text (MGT), including ethical and practical issues like plagiarism and misinformation. Building a robust and highly generalizable MGT detection system has become increasingly important. This work investigates the generalization capabilities of MGT detectors in three aspects: First, we construct MGTAcademic, a large-scale dataset focused on academic writing, featuring human-written texts (HWTs) and MGTs across STEM, Humanities, and Social Sciences, paired with an extensible code framework for efficient benchmarking. Second, we investigate the transferability of detectors across domains and LLMs, leveraging fine-grained datasets to reveal insights into domain transferring and implementing few-shot techniques to improve the performance by roughly 13.2%. Third, we introduce a novel attribution task where models must adapt to new classes over time without (or with very limited) access to prior training data and benchmark detectors. We implement several adapting techniques to improve the performance by roughly 10% and highlight the inherent complexity of the task. Our findings provide insights into the generalization ability of MGT detectors across diverse scenarios and lay the foundation for building robust, adaptive detection systems.

Despite the tremendous success, existing machine learning models still fall short of human-like systematic generalization -- learning compositional rules from limited data and applying them to unseen combinations in various domains. We propose Neural-Symbolic Recursive Machine (NSR) to tackle this deficiency. The core representation of NSR is a Grounded Symbol System (GSS) with combinatorial syntax and semantics, which entirely emerges from training data. Akin to the neuroscience studies suggesting separate brain systems for perceptual, syntactic, and semantic processing, NSR implements analogous separate modules of neural perception, syntactic parsing, and semantic reasoning, which are jointly learned by a deduction-abduction algorithm. We prove that NSR is expressive enough to model various sequence-to-sequence tasks. Superior systematic generalization is achieved via the inductive biases of equivariance and recursiveness embedded in NSR. In experiments, NSR achieves state-of-the-art performance in three benchmarks from different domains: SCAN for semantic parsing, PCFG for string manipulation, and HINT for arithmetic reasoning. Specifically, NSR achieves 100% generalization accuracy on SCAN and PCFG and outperforms state-of-the-art models on HINT by about 23%. Our NSR demonstrates stronger generalization than pure neural networks due to its symbolic representation and inductive biases. NSR also demonstrates better transferability than existing neural-symbolic approaches due to less domain-specific knowledge required.

While the phenomenon of grokking, i.e., delayed generalization, has been studied extensively, it remains an open problem whether there is a mathematical framework that characterizes what kind of features will emerge, how and in which conditions it happens, and is closely related to the gradient dynamics of the training, for complex structured inputs. We propose a novel framework, named Li_2, that captures three key stages for the grokking behavior of 2-layer nonlinear networks: (I) \textbf{L}azy learning, (II) \textbf{i}ndependent feature learning and (III) \textbf{i}nteractive feature learning. At the lazy learning stage, top layer overfits to random hidden representation and the model appears to memorize. Thanks to lazy learning and weight decay, the backpropagated gradient G_F from the top layer now carries information about the target label, with a specific structure that enables each hidden node to learn their representation independently. Interestingly, the independent dynamics follows exactly the gradient ascent of an energy function E, and its local maxima are precisely the emerging features. We study whether these local-optima induced features are generalizable, their representation power, and how they change on sample size, in group arithmetic tasks. When hidden nodes start to interact in the later stage of learning, we provably show how G_F changes to focus on missing features that need to be learned. Our study sheds lights on roles played by key hyperparameters such as weight decay, learning rate and sample sizes in grokking, leads to provable scaling laws of feature emergence, memorization and generalization, and reveals the underlying cause why recent optimizers such as Muon can be effective, from the first principles of gradient dynamics. Our analysis can be extended to multi-layer architectures.

Background: Deep learning models are typically trained using stochastic gradient descent or one of its variants. These methods update the weights using their gradient, estimated from a small fraction of the training data. It has been observed that when using large batch sizes there is a persistent degradation in generalization performance - known as the "generalization gap" phenomena. Identifying the origin of this gap and closing it had remained an open problem. Contributions: We examine the initial high learning rate training phase. We find that the weight distance from its initialization grows logarithmically with the number of weight updates. We therefore propose a "random walk on random landscape" statistical model which is known to exhibit similar "ultra-slow" diffusion behavior. Following this hypothesis we conducted experiments to show empirically that the "generalization gap" stems from the relatively small number of updates rather than the batch size, and can be completely eliminated by adapting the training regime used. We further investigate different techniques to train models in the large-batch regime and present a novel algorithm named "Ghost Batch Normalization" which enables significant decrease in the generalization gap without increasing the number of updates. To validate our findings we conduct several additional experiments on MNIST, CIFAR-10, CIFAR-100 and ImageNet. Finally, we reassess common practices and beliefs concerning training of deep models and suggest they may not be optimal to achieve good generalization.

Even when massively overparameterized, deep neural networks show a remarkable ability to generalize. Research on this phenomenon has focused on generalization within distribution, via smooth interpolation. Yet in some settings neural networks also learn to extrapolate to data far beyond the bounds of the original training set, sometimes even allowing for infinite generalization, implying that an algorithm capable of solving the task has been learned. Here we undertake a case study of the learning dynamics of recurrent neural networks (RNNs) trained on the streaming parity task in order to develop an effective theory of algorithm development. The streaming parity task is a simple but nonlinear task defined on sequences up to arbitrary length. We show that, with sufficient finite training experience, RNNs exhibit a phase transition to perfect infinite generalization. Using an effective theory for the representational dynamics, we find an implicit representational merger effect which can be interpreted as the construction of a finite automaton that reproduces the task. Overall, our results disclose one mechanism by which neural networks can generalize infinitely from finite training experience.

Strong inductive biases enable learning from little data and help generalization outside of the training distribution. Popular neural architectures such as Transformers lack strong structural inductive biases for seq2seq NLP tasks on their own. Consequently, they struggle with systematic generalization beyond the training distribution, e.g. with extrapolating to longer inputs, even when pre-trained on large amounts of text. We show how a structural inductive bias can be efficiently injected into a seq2seq model by pre-training it to simulate structural transformations on synthetic data. Specifically, we inject an inductive bias towards Finite State Transducers (FSTs) into a Transformer by pre-training it to simulate FSTs given their descriptions. Our experiments show that our method imparts the desired inductive bias, resulting in improved systematic generalization and better few-shot learning for FST-like tasks. Our analysis shows that fine-tuned models accurately capture the state dynamics of the unseen underlying FSTs, suggesting that the simulation process is internalized by the fine-tuned model.

Patent text embeddings enable prior art search, technology landscaping, and patent analysis, yet existing benchmarks inadequately capture patent-specific challenges. We introduce PatenTEB, a comprehensive benchmark comprising 15 tasks across retrieval, classification, paraphrase, and clustering, with 2.06 million examples. PatenTEB employs domain-stratified splits, domain specific hard negative mining, and systematic coverage of asymmetric fragment-to-document matching scenarios absent from general embedding benchmarks. We develop the patembed model family through multi-task training, spanning 67M to 344M parameters with context lengths up to 4096 tokens. External validation shows strong generalization: patembed-base achieves state-of-the-art on MTEB BigPatentClustering.v2 (0.494 V-measure vs. 0.445 previous best), while patembed-large achieves 0.377 NDCG@100 on DAPFAM. Systematic ablations reveal that multi-task training improves external generalization despite minor benchmark costs, and that domain-pretrained initialization provides consistent advantages across task families. All resources will be made available at https://github.com/iliass-y/patenteb. Keywords: patent retrieval, sentence embeddings, multi-task learning, asymmetric retrieval, benchmark evaluation, contrastive learning.

A modern paradigm for generalization in machine learning and AI consists of pre-training a task-agnostic foundation model, generally obtained using self-supervised and multimodal contrastive learning. The resulting representations can be used for prediction on a downstream task for which no labeled data is available. We present a theoretical framework to better understand this approach, called zero-shot prediction. We identify the target quantities that zero-shot prediction aims to learn, or learns in passing, and the key conditional independence relationships that enable its generalization ability.

Few-shot learning aims to transfer the knowledge acquired from training on a diverse set of tasks to unseen tasks from the same task distribution with a limited amount of labeled data. The underlying requirement for effective few-shot generalization is to learn a good representation of the task manifold. This becomes more difficult when only a limited number of tasks are available for training. In such a few-task few-shot setting, it is beneficial to explicitly preserve the local neighborhoods from the task manifold and exploit this to generate artificial tasks for training. To this end, we introduce the notion of interval bounds from the provably robust training literature to few-shot learning. The interval bounds are used to characterize neighborhoods around the training tasks. These neighborhoods can then be preserved by minimizing the distance between a task and its respective bounds. We then use a novel strategy to artificially form new tasks for training by interpolating between the available tasks and their respective interval bounds. We apply our framework to both model-agnostic meta-learning as well as prototype-based metric-learning paradigms. The efficacy of our proposed approach is evident from the improved performance on several datasets from diverse domains compared to current methods.

Stepwise inference protocols, such as scratchpads and chain-of-thought, help language models solve complex problems by decomposing them into a sequence of simpler subproblems. Despite the significant gain in performance achieved via these protocols, the underlying mechanisms of stepwise inference have remained elusive. To address this, we propose to study autoregressive Transformer models on a synthetic task that embodies the multi-step nature of problems where stepwise inference is generally most useful. Specifically, we define a graph navigation problem wherein a model is tasked with traversing a path from a start to a goal node on the graph. Despite is simplicity, we find we can empirically reproduce and analyze several phenomena observed at scale: (i) the stepwise inference reasoning gap, the cause of which we find in the structure of the training data; (ii) a diversity-accuracy tradeoff in model generations as sampling temperature varies; (iii) a simplicity bias in the model's output; and (iv) compositional generalization and a primacy bias with in-context exemplars. Overall, our work introduces a grounded, synthetic framework for studying stepwise inference and offers mechanistic hypotheses that can lay the foundation for a deeper understanding of this phenomenon.

Several works have proposed Simplicity Bias (SB)---the tendency of standard training procedures such as Stochastic Gradient Descent (SGD) to find simple models---to justify why neural networks generalize well [Arpit et al. 2017, Nakkiran et al. 2019, Soudry et al. 2018]. However, the precise notion of simplicity remains vague. Furthermore, previous settings that use SB to theoretically justify why neural networks generalize well do not simultaneously capture the non-robustness of neural networks---a widely observed phenomenon in practice [Goodfellow et al. 2014, Jo and Bengio 2017]. We attempt to reconcile SB and the superior standard generalization of neural networks with the non-robustness observed in practice by designing datasets that (a) incorporate a precise notion of simplicity, (b) comprise multiple predictive features with varying levels of simplicity, and (c) capture the non-robustness of neural networks trained on real data. Through theory and empirics on these datasets, we make four observations: (i) SB of SGD and variants can be extreme: neural networks can exclusively rely on the simplest feature and remain invariant to all predictive complex features. (ii) The extreme aspect of SB could explain why seemingly benign distribution shifts and small adversarial perturbations significantly degrade model performance. (iii) Contrary to conventional wisdom, SB can also hurt generalization on the same data distribution, as SB persists even when the simplest feature has less predictive power than the more complex features. (iv) Common approaches to improve generalization and robustness---ensembles and adversarial training---can fail in mitigating SB and its pitfalls. Given the role of SB in training neural networks, we hope that the proposed datasets and methods serve as an effective testbed to evaluate novel algorithmic approaches aimed at avoiding the pitfalls of SB.

Intelligent agents must be generalists - showing the ability to quickly adapt and generalize to varying tasks. Within the framework of reinforcement learning (RL), model-based RL algorithms learn a task-agnostic dynamics model of the world, in principle allowing them to generalize to arbitrary rewards. However, one-step models naturally suffer from compounding errors, making them ineffective for problems with long horizons and large state spaces. In this work, we propose a novel class of models - generalized occupancy models (GOMs) - that retain the generality of model-based RL while avoiding compounding error. The key idea behind GOMs is to model the distribution of all possible long-term outcomes from a given state under the coverage of a stationary dataset, along with a policy that realizes a particular outcome from the given state. These models can then quickly be used to select the optimal action for arbitrary new tasks, without having to redo policy optimization. By directly modeling long-term outcomes, GOMs avoid compounding error while retaining generality across arbitrary reward functions. We provide a practical instantiation of GOMs using diffusion models and show its efficacy as a new class of transferable models, both theoretically and empirically across a variety of simulated robotics problems. Videos and code at https://weirdlabuw.github.io/gom/.

We expect the generalization error to improve with more samples from a similar task, and to deteriorate with more samples from an out-of-distribution (OOD) task. In this work, we show a counter-intuitive phenomenon: the generalization error of a task can be a non-monotonic function of the number of OOD samples. As the number of OOD samples increases, the generalization error on the target task improves before deteriorating beyond a threshold. In other words, there is value in training on small amounts of OOD data. We use Fisher's Linear Discriminant on synthetic datasets and deep networks on computer vision benchmarks such as MNIST, CIFAR-10, CINIC-10, PACS and DomainNet to demonstrate and analyze this phenomenon. In the idealistic setting where we know which samples are OOD, we show that these non-monotonic trends can be exploited using an appropriately weighted objective of the target and OOD empirical risk. While its practical utility is limited, this does suggest that if we can detect OOD samples, then there may be ways to benefit from them. When we do not know which samples are OOD, we show how a number of go-to strategies such as data-augmentation, hyper-parameter optimization, and pre-training are not enough to ensure that the target generalization error does not deteriorate with the number of OOD samples in the dataset.

Domain Generalization aims to develop models that can generalize to novel and unseen data distributions. In this work, we study how model architectures and pre-training objectives impact feature richness and propose a method to effectively leverage them for domain generalization. Specifically, given a pre-trained feature space, we first discover latent domain structures, referred to as pseudo-domains, that capture domain-specific variations in an unsupervised manner. Next, we augment existing classifiers with these complementary pseudo-domain representations making them more amenable to diverse unseen test domains. We analyze how different pre-training feature spaces differ in the domain-specific variances they capture. Our empirical studies reveal that features from diffusion models excel at separating domains in the absence of explicit domain labels and capture nuanced domain-specific information. On 5 datasets, we show that our very simple framework improves generalization to unseen domains by a maximum test accuracy improvement of over 4% compared to the standard baseline Empirical Risk Minimization (ERM). Crucially, our method outperforms most algorithms that access domain labels during training.

Chain-of-thought (CoT) prompting with large language models has proven effective in numerous natural language processing tasks, but designing prompts that generalize well to diverse problem types can be challenging, especially in the context of math word problem (MWP) solving. Additionally, it is common to have a large amount of training data that have a better diversity coverage but CoT annotations are not available, which limits the use of supervised learning techniques. To address these issues, we investigate two approaches to leverage the training data in a few-shot prompting scenario: dynamic program prompting and program distillation. Our approach is largely inspired by Gao et al., (2022), where they proposed to replace the CoT with the programs as the intermediate reasoning step. Such a prompting strategy allows us to accurately verify the answer correctness through program execution in MWP solving. Our dynamic program prompting involves annotating the training data by sampling correct programs from a large language model, while program distillation involves adapting a smaller model to the program-annotated training data. Our experiments on three standard MWP datasets demonstrate the effectiveness of these approaches, yielding significant improvements over previous baselines for prompting and fine-tuning. Our results suggest that leveraging a large amount of training data can improve the generalization ability of prompts and boost the performance of fine-tuned small models in MWP solving.

Robotic manipulation policies often struggle to generalize to novel objects, limiting their real-world utility. In contrast, cognitive science suggests that children develop generalizable dexterous manipulation skills by mastering a small set of simple toys and then applying that knowledge to more complex items. Inspired by this, we study if similar generalization capabilities can also be achieved by robots. Our results indicate robots can learn generalizable grasping using randomly assembled objects that are composed from just four shape primitives: spheres, cuboids, cylinders, and rings. We show that training on these "toys" enables robust generalization to real-world objects, yielding strong zero-shot performance. Crucially, we find the key to this generalization is an object-centric visual representation induced by our proposed detection pooling mechanism. Evaluated in both simulation and on physical robots, our model achieves a 67% real-world grasping success rate on the YCB dataset, outperforming state-of-the-art approaches that rely on substantially more in-domain data. We further study how zero-shot generalization performance scales by varying the number and diversity of training toys and the demonstrations per toy. We believe this work offers a promising path to scalable and generalizable learning in robotic manipulation. Demonstration videos, code, checkpoints and our dataset are available on our project page: https://lego-grasp.github.io/ .

We present a scientific reasoning foundation model that aligns natural language with heterogeneous scientific representations. The model is pretrained on a 206B-token corpus spanning scientific text, pure sequences, and sequence-text pairs, then aligned via SFT on 40M instructions, annealed cold-start bootstrapping to elicit long-form chain-of-thought, and reinforcement learning with task-specific reward shaping, which instills deliberate scientific reasoning. It supports four capability families, covering up to 103 tasks across workflows: (i) faithful translation between text and scientific formats, (ii) text/knowledge extraction, (iii) property prediction, (iv) property classification, (v) unconditional and conditional sequence generation and design. Compared with specialist systems, our approach broadens instruction coverage, improves cross-domain generalization, and enhances fidelity. We detail data curation and training and show that cross-discipline learning strengthens transfer and downstream reliability. The model, instruct tuning datasets and the evaluation code are open-sourced at https://huggingface.co/SciReason and https://github.com/open-sciencelab/SciReason.

The rapid advancement of Large Language Models (LLMs) has led to the development of benchmarks that consider temporal dynamics, however, there remains a gap in understanding how well these models can generalize across temporal contexts due to the inherent dynamic nature of language and information. This paper introduces the concept of temporal generalization in LLMs, including bias in past and future generalizations. Then we introduce FreshBench, a new evaluation framework that employs fresh text and event prediction for assessing LLMs' temporal adaptability, ensuring the evaluation process free from data leakage and subjective bias. The experiment shows significant temporal biases and a decline in performance over time. Our findings reveal that powerful models, while initially superior, tend to decline more rapidly in future generalization. Additionally, powerful open-source models demonstrate better long-term adaptability compared to their closed-source counterparts. Our code is available at https://github.com/FreedomIntelligence/FreshBench.

For humans, language production and comprehension is sensitive to the hierarchical structure of sentences. In natural language processing, past work has questioned how effectively neural sequence models like transformers capture this hierarchical structure when generalizing to structurally novel inputs. We show that transformer language models can learn to generalize hierarchically after training for extremely long periods -- far beyond the point when in-domain accuracy has saturated. We call this phenomenon structural grokking. On multiple datasets, structural grokking exhibits inverted U-shaped scaling in model depth: intermediate-depth models generalize better than both very deep and very shallow transformers. When analyzing the relationship between model-internal properties and grokking, we find that optimal depth for grokking can be identified using the tree-structuredness metric of murty2023projections. Overall, our work provides strong evidence that, with extended training, vanilla transformers discover and use hierarchical structure.

Effective generalization in language models depends critically on the diversity of their training data. Yet existing diversity metrics often fall short of this goal, relying on surface-level heuristics that are decoupled from model behavior. This motivates us to ask: What kind of diversity in training data actually drives generalization in language models -- and how can we measure and amplify it? Through large-scale empirical analyses spanning over 300 training runs, carefully controlled for data scale and quality, we show that data diversity can be a strong predictor of generalization in LLM reasoning -- as measured by average model performance on unseen out-of-distribution benchmarks. We introduce G-Vendi, a metric that quantifies diversity via the entropy of model-induced gradients. Despite using a small off-the-shelf proxy model for gradients, G-Vendi consistently outperforms alternative measures, achieving strong correlation (Spearman's rho approx 0.9) with out-of-distribution (OOD) performance on both natural language inference (NLI) and math reasoning tasks. Building on this insight, we present Prismatic Synthesis, a framework for generating diverse synthetic data by targeting underrepresented regions in gradient space. Experimental results show that Prismatic Synthesis consistently improves model performance as we scale synthetic data -- not just on in-distribution test but across unseen, out-of-distribution benchmarks -- significantly outperforming state-of-the-art models that rely on 20 times larger data generator than ours. For example, PrismMath-7B, our model distilled from a 32B LLM, outperforms R1-Distill-Qwen-7B -- the same base model trained on proprietary data generated by 671B R1 -- on 6 out of 7 challenging benchmarks.

Despite unprecedented ability in imaginary creation, large text-to-image models are further expected to express customized concepts. Existing works generally learn such concepts in an optimization-based manner, yet bringing excessive computation or memory burden. In this paper, we instead propose a learning-based encoder for fast and accurate concept customization, which consists of global and local mapping networks. In specific, the global mapping network separately projects the hierarchical features of a given image into multiple ``new'' words in the textual word embedding space, i.e., one primary word for well-editable concept and other auxiliary words to exclude irrelevant disturbances (e.g., background). In the meantime, a local mapping network injects the encoded patch features into cross attention layers to provide omitted details, without sacrificing the editability of primary concepts. We compare our method with prior optimization-based approaches on a variety of user-defined concepts, and demonstrate that our method enables more high-fidelity inversion and robust editability with a significantly faster encoding process. Our code will be publicly available at https://github.com/csyxwei/ELITE.

Programming-by-Examples (PBE) aims to generate an algorithm from input-output examples. Such systems are practically and theoretically important: from an end-user perspective, they are deployed to millions of people, and from an AI perspective, PBE corresponds to a very general form of few-shot inductive inference. Given the success of Large Language Models (LLMs) in code-generation tasks, we investigate here the extent to which LLMs can be said to have `solved' PBE. We experiment on classic domains such as lists and strings, and an uncommon graphics programming domain not well represented in typical pretraining data. We find that pretrained models are not effective at PBE, but that they can be fine-tuned for much higher performance, provided the test problems are in-distribution. We analyze empirically what causes these models to succeed and fail, and take steps toward understanding how to achieve better out-of-distribution generalization. Collectively these results suggest that LLMs make strong progress toward solving the typical suite of PBE tasks, potentially increasing the flexibility and applicability of PBE systems, while also identifying ways in which LLMs still fall short.

What mechanisms underlie linguistic generalization in large language models (LLMs)? This question has attracted considerable attention, with most studies analyzing the extent to which the language skills of LLMs resemble rules. As of yet, it is not known whether linguistic generalization in LLMs could equally well be explained as the result of analogical processes, which can be formalized as similarity operations on stored exemplars. A key shortcoming of prior research is its focus on linguistic phenomena with a high degree of regularity, for which rule-based and analogical approaches make the same predictions. Here, we instead examine derivational morphology, specifically English adjective nominalization, which displays notable variability. We introduce a new method for investigating linguistic generalization in LLMs: focusing on GPT-J, we fit cognitive models that instantiate rule-based and analogical learning to the LLM training data and compare their predictions on a set of nonce adjectives with those of the LLM, allowing us to draw direct conclusions regarding underlying mechanisms. As expected, rule-based and analogical models explain the predictions of GPT-J equally well for adjectives with regular nominalization patterns. However, for adjectives with variable nominalization patterns, the analogical model provides a much better match. Furthermore, GPT-J's behavior is sensitive to the individual word frequencies, even for regular forms, a behavior that is consistent with an analogical account of regular forms but not a rule-based one. These findings refute the hypothesis that GPT-J's linguistic generalization on adjective nominalization involves rules, suggesting similarity operations on stored exemplars as the underlying mechanism. Overall, our study suggests that analogical processes play a bigger role in the linguistic generalization of LLMs than previously thought.

Transformers have impressive generalization capabilities on tasks with a fixed context length. However, they fail to generalize to sequences of arbitrary length, even for seemingly simple tasks such as duplicating a string. Moreover, simply training on longer sequences is inefficient due to the quadratic computation complexity of the global attention mechanism. In this work, we demonstrate that this failure mode is linked to positional encodings being out-of-distribution for longer sequences (even for relative encodings) and introduce a novel family of positional encodings that can overcome this problem. Concretely, our randomized positional encoding scheme simulates the positions of longer sequences and randomly selects an ordered subset to fit the sequence's length. Our large-scale empirical evaluation of 6000 models across 15 algorithmic reasoning tasks shows that our method allows Transformers to generalize to sequences of unseen length (increasing test accuracy by 12.0% on average).

As AI systems become more intelligent and their behavior becomes more challenging to assess, they may learn to game the flaws of human feedback instead of genuinely striving to follow instructions; however, this risk can be mitigated by controlling how LLMs generalize human feedback to situations where it is unreliable. To better understand how reward models generalize, we craft 69 distribution shifts spanning 8 categories. We find that reward models do not learn to evaluate `instruction-following' by default and instead favor personas that resemble internet text. Techniques for interpreting reward models' internal representations achieve better generalization than standard fine-tuning, but still frequently fail to distinguish instruction-following from conflated behaviors. We consolidate the 15 most challenging distribution shifts into the GENeralization analogIES (GENIES) benchmark, which we hope will enable progress toward controlling reward model generalization.

We investigate the generalization capabilities of small language models under two popular adaptation paradigms: few-shot prompting and supervised fine-tuning. While prompting is often favored for its parameter efficiency and flexibility, it remains unclear how robust this approach is in low-resource settings and under distributional shifts. This paper presents a comparative study of prompting and fine-tuning across task formats, prompt styles, and model scales, with a focus on their behavior in both in-distribution and out-of-distribution (OOD) settings. Beyond accuracy, we analyze the internal representations learned by each approach to assess the stability and abstraction of task-specific features. Our findings highlight critical differences in how small models internalize and generalize knowledge under different adaptation strategies. This work offers practical guidance for model selection in low-data regimes and contributes empirical insight into the ongoing debate over prompting versus fine-tuning. Code for the experiments is available at the following

Typically, machine learning systems solve new tasks by training on thousands of examples. In contrast, humans can solve new tasks by reading some instructions, with perhaps an example or two. To take a step toward closing this gap, we introduce a framework for developing NLP systems that solve new tasks after reading their descriptions, synthesizing prior work in this area. We instantiate this framework with a new English language dataset, ZEST, structured for task-oriented evaluation on unseen tasks. Formulating task descriptions as questions, we ensure each is general enough to apply to many possible inputs, thus comprehensively evaluating a model's ability to solve each task. Moreover, the dataset's structure tests specific types of systematic generalization. We find that the state-of-the-art T5 model achieves a score of 12% on ZEST, leaving a significant challenge for NLP researchers.

Recent text-to-image generative models have enabled us to transform our words into vibrant, captivating imagery. The surge of personalization techniques that has followed has also allowed us to imagine unique concepts in new scenes. However, an intriguing question remains: How can we generate a new, imaginary concept that has never been seen before? In this paper, we present the task of creative text-to-image generation, where we seek to generate new members of a broad category (e.g., generating a pet that differs from all existing pets). We leverage the under-studied Diffusion Prior models and show that the creative generation problem can be formulated as an optimization process over the output space of the diffusion prior, resulting in a set of "prior constraints". To keep our generated concept from converging into existing members, we incorporate a question-answering model that adaptively adds new constraints to the optimization problem, encouraging the model to discover increasingly more unique creations. Finally, we show that our prior constraints can also serve as a strong mixing mechanism allowing us to create hybrids between generated concepts, introducing even more flexibility into the creative process.

The ability for a machine learning model to cope with differences in training and deployment conditions--e.g. in the presence of distribution shift or the generalization to new classes altogether--is crucial for real-world use cases. However, most empirical work in this area has focused on the image domain with artificial benchmarks constructed to measure individual aspects of generalization. We present BIRB, a complex benchmark centered on the retrieval of bird vocalizations from passively-recorded datasets given focal recordings from a large citizen science corpus available for training. We propose a baseline system for this collection of tasks using representation learning and a nearest-centroid search. Our thorough empirical evaluation and analysis surfaces open research directions, suggesting that BIRB fills the need for a more realistic and complex benchmark to drive progress on robustness to distribution shifts and generalization of ML models.

Graph neural networks (GNNs) have become compelling models designed to perform learning and inference on graph-structured data. However, little work has been done to understand the fundamental limitations of GNNs for scaling to larger graphs and generalizing to out-of-distribution (OOD) inputs. In this paper, we use a random graph generator to systematically investigate how the graph size and structural properties affect the predictive performance of GNNs. We present specific evidence that the average node degree is a key feature in determining whether GNNs can generalize to unseen graphs, and that the use of multiple node update functions can improve the generalization performance of GNNs when dealing with graphs of multimodal degree distributions. Accordingly, we propose a multi-module GNN framework that allows the network to adapt flexibly to new graphs by generalizing a single canonical nonlinear transformation over aggregated inputs. Our results show that the multi-module GNNs improve the OOD generalization on a variety of inference tasks in the direction of diverse structural features.

Recent neural models have shown significant progress on the problem of generating short descriptive texts conditioned on a small number of database records. In this work, we suggest a slightly more difficult data-to-text generation task, and investigate how effective current approaches are on this task. In particular, we introduce a new, large-scale corpus of data records paired with descriptive documents, propose a series of extractive evaluation methods for analyzing performance, and obtain baseline results using current neural generation methods. Experiments show that these models produce fluent text, but fail to convincingly approximate human-generated documents. Moreover, even templated baselines exceed the performance of these neural models on some metrics, though copy- and reconstruction-based extensions lead to noticeable improvements.

We consider the problem of eliciting compositional generalization capabilities in large language models (LLMs) with a novel type of prompting strategy. Compositional generalization empowers the LLMs to solve problems that are harder than the ones they have seen (i.e., easy-to-hard generalization), which is a critical reasoning capability of human-like intelligence. However, even the current state-of-the-art LLMs still struggle with this form of reasoning. To bridge this gap, we propose skills-in-context (SKiC) prompting, which instructs LLMs how to compose basic skills to resolve more complex problems. We find that it is crucial to demonstrate both the skills and the compositional examples within the same prompting context. With as few as two examplars, our SKiC prompting initiates strong synergies between skills and their composition capabilities. Notably, it empowers LLMs to solve unseen problems that require innovative skill compositions, achieving near-perfect generalization on a broad range of challenging compositionality tasks. Intriguingly, SKiC prompting unlocks the latent potential of LLMs, enabling them to leverage pre-existing internal skills acquired during earlier pre-training stages, even when these skills are not explicitly presented in the prompting context. This results in the capability of LLMs to solve unseen complex problems by activating and composing internal competencies. With such prominent features, SKiC prompting is able to achieve state-of-the-art performance on challenging mathematical reasoning benchmarks (e.g., MATH).

Text-guided image-to-image diffusion models excel in translating images based on textual prompts, allowing for precise and creative visual modifications. However, such a powerful technique can be misused for spreading misinformation, infringing on copyrights, and evading content tracing. This motivates us to introduce the task of origin IDentification for text-guided Image-to-image Diffusion models (ID^2), aiming to retrieve the original image of a given translated query. A straightforward solution to ID^2 involves training a specialized deep embedding model to extract and compare features from both query and reference images. However, due to visual discrepancy across generations produced by different diffusion models, this similarity-based approach fails when training on images from one model and testing on those from another, limiting its effectiveness in real-world applications. To solve this challenge of the proposed ID^2 task, we contribute the first dataset and a theoretically guaranteed method, both emphasizing generalizability. The curated dataset, OriPID, contains abundant Origins and guided Prompts, which can be used to train and test potential IDentification models across various diffusion models. In the method section, we first prove the existence of a linear transformation that minimizes the distance between the pre-trained Variational Autoencoder (VAE) embeddings of generated samples and their origins. Subsequently, it is demonstrated that such a simple linear transformation can be generalized across different diffusion models. Experimental results show that the proposed method achieves satisfying generalization performance, significantly surpassing similarity-based methods (+31.6% mAP), even those with generalization designs.

A prevailing view holds that supervised fine-tuning (SFT) memorizes training data and fails to generalize, whereas reinforcement learning (RL) attains broader robustness. We revisit this claim through a systematic evaluation on two decision-making benchmarks, Sokoban and General Points, and arrive at a different conclusion. We show that much of SFT's perceived failure stems from frozen-prompt artifacts: when trained on fixed instruction templates, SFT models cling to training semantics rather than adapting to new ones. Introducing prompt diversity during training breaks this shortcut and yields strong generalization to unseen instruction variants without harming in-distribution performance. Beyond instruction shifts, we ask whether SFT can generalize to strictly harder tasks. Here, chain-of-thought (CoT) supervision provides an algorithmic scaffold that markedly improves transfer to more difficult regimes, such as larger Sokoban grids with additional boxes and arithmetic with out-of-distribution values or five-card compositions that increase combinatorial complexity. Finally, combining prompt diversity with CoT achieves the best of both worlds: robust generalization across both instruction-variant and difficulty-variant settings, matching or surpassing RL baselines on our benchmarks while retaining SFT's simplicity and stability. These findings challenge the narrative that SFT is inherently inferior to RL and support a data-centric perspective: with appropriately curated demonstrations, vanilla SFT can generalize as strongly as RL. Code reproducing the results in the paper can be found at: https://github.com/XiaofengLin7/debunking-sft-generalization.

Augmenting a language model (LM) with k-nearest neighbors (kNN) retrieval on its training data alone can decrease its perplexity, though the underlying reasons for this remains elusive. In this work, we first rule out one previously posited possibility -- the "softmax bottleneck." We further identify the MLP hurdle phenomenon, where the final MLP layer in LMs may impede LM optimization early on. We explore memorization and generalization in language models with two new datasets, where advanced model like GPT-3.5-turbo find generalizing to irrelevant information in the training data challenging. However, incorporating kNN retrieval to vanilla GPT-2 117M can consistently improve performance in this setting.

Our understanding of the generalization capabilities of neural networks (NNs) is still incomplete. Prevailing explanations are based on implicit biases of gradient descent (GD) but they cannot account for the capabilities of models from gradient-free methods nor the simplicity bias recently observed in untrained networks. This paper seeks other sources of generalization in NNs. Findings. To understand the inductive biases provided by architectures independently from GD, we examine untrained, random-weight networks. Even simple MLPs show strong inductive biases: uniform sampling in weight space yields a very biased distribution of functions in terms of complexity. But unlike common wisdom, NNs do not have an inherent "simplicity bias". This property depends on components such as ReLUs, residual connections, and layer normalizations. Alternative architectures can be built with a bias for any level of complexity. Transformers also inherit all these properties from their building blocks. Implications. We provide a fresh explanation for the success of deep learning independent from gradient-based training. It points at promising avenues for controlling the solutions implemented by trained models.

Medicine is inherently multimodal, with rich data modalities spanning text, imaging, genomics, and more. Generalist biomedical artificial intelligence (AI) systems that flexibly encode, integrate, and interpret this data at scale can potentially enable impactful applications ranging from scientific discovery to care delivery. To enable the development of these models, we first curate MultiMedBench, a new multimodal biomedical benchmark. MultiMedBench encompasses 14 diverse tasks such as medical question answering, mammography and dermatology image interpretation, radiology report generation and summarization, and genomic variant calling. We then introduce Med-PaLM Multimodal (Med-PaLM M), our proof of concept for a generalist biomedical AI system. Med-PaLM M is a large multimodal generative model that flexibly encodes and interprets biomedical data including clinical language, imaging, and genomics with the same set of model weights. Med-PaLM M reaches performance competitive with or exceeding the state of the art on all MultiMedBench tasks, often surpassing specialist models by a wide margin. We also report examples of zero-shot generalization to novel medical concepts and tasks, positive transfer learning across tasks, and emergent zero-shot medical reasoning. To further probe the capabilities and limitations of Med-PaLM M, we conduct a radiologist evaluation of model-generated (and human) chest X-ray reports and observe encouraging performance across model scales. In a side-by-side ranking on 246 retrospective chest X-rays, clinicians express a pairwise preference for Med-PaLM M reports over those produced by radiologists in up to 40.50% of cases, suggesting potential clinical utility. While considerable work is needed to validate these models in real-world use cases, our results represent a milestone towards the development of generalist biomedical AI systems.

Graphs are essential data structures for modeling complex interactions in domains such as social networks, molecular structures, and biological systems. Graph-level tasks, which predict properties or classes for the entire graph, are critical for applications, such as molecular property prediction and subgraph counting. Graph Neural Networks (GNNs) have shown promise in these tasks, but their evaluations are often limited to narrow datasets, tasks, and inconsistent experimental setups, restricting their generalizability. To address these limitations, we propose a unified evaluation framework for graph-level GNNs. This framework provides a standardized setting to evaluate GNNs across diverse datasets, various graph tasks (e.g., graph classification and regression), and challenging scenarios, including noisy, imbalanced, and few-shot graphs. Additionally, we propose a novel GNN model with enhanced expressivity and generalization capabilities. Specifically, we enhance the expressivity of GNNs through a k-path rooted subgraph approach, enabling the model to effectively count subgraphs (e.g., paths and cycles). Moreover, we introduce a unified graph contrastive learning algorithm for graphs across diverse domains, which adaptively removes unimportant edges to augment graphs, thereby significantly improving generalization performance. Extensive experiments demonstrate that our model achieves superior performance against fourteen effective baselines across twenty-seven graph datasets, establishing it as a robust and generalizable model for graph-level tasks.

Grokking is the intriguing phenomenon where a model learns to generalize long after it has fit the training data. We show both analytically and numerically that grokking can surprisingly occur in linear networks performing linear tasks in a simple teacher-student setup with Gaussian inputs. In this setting, the full training dynamics is derived in terms of the training and generalization data covariance matrix. We present exact predictions on how the grokking time depends on input and output dimensionality, train sample size, regularization, and network initialization. We demonstrate that the sharp increase in generalization accuracy may not imply a transition from "memorization" to "understanding", but can simply be an artifact of the accuracy measure. We provide empirical verification for our calculations, along with preliminary results indicating that some predictions also hold for deeper networks, with non-linear activations.

The measure of a machine learning algorithm is the difficulty of the tasks it can perform, and sufficiently difficult tasks are critical drivers of strong machine learning models. However, quantifying the generalization difficulty of machine learning benchmarks has remained challenging. We propose what is to our knowledge the first model-agnostic measure of the inherent generalization difficulty of tasks. Our inductive bias complexity measure quantifies the total information required to generalize well on a task minus the information provided by the data. It does so by measuring the fractional volume occupied by hypotheses that generalize on a task given that they fit the training data. It scales exponentially with the intrinsic dimensionality of the space over which the model must generalize but only polynomially in resolution per dimension, showing that tasks which require generalizing over many dimensions are drastically more difficult than tasks involving more detail in fewer dimensions. Our measure can be applied to compute and compare supervised learning, reinforcement learning and meta-learning generalization difficulties against each other. We show that applied empirically, it formally quantifies intuitively expected trends, e.g. that in terms of required inductive bias, MNIST < CIFAR10 < Imagenet and fully observable Markov decision processes (MDPs) < partially observable MDPs. Further, we show that classification of complex images < few-shot meta-learning with simple images. Our measure provides a quantitative metric to guide the construction of more complex tasks requiring greater inductive bias, and thereby encourages the development of more sophisticated architectures and learning algorithms with more powerful generalization capabilities.

Many complex tasks can be decomposed into simpler, independent parts. Discovering such underlying compositional structure has the potential to enable compositional generalization. Despite progress, our most powerful systems struggle to compose flexibly. It therefore seems natural to make models more modular to help capture the compositional nature of many tasks. However, it is unclear under which circumstances modular systems can discover hidden compositional structure. To shed light on this question, we study a teacher-student setting with a modular teacher where we have full control over the composition of ground truth modules. This allows us to relate the problem of compositional generalization to that of identification of the underlying modules. In particular we study modularity in hypernetworks representing a general class of multiplicative interactions. We show theoretically that identification up to linear transformation purely from demonstrations is possible without having to learn an exponential number of module combinations. We further demonstrate empirically that under the theoretically identified conditions, meta-learning from finite data can discover modular policies that generalize compositionally in a number of complex environments.

Widely used alignment techniques, such as reinforcement learning from human feedback (RLHF), rely on the ability of humans to supervise model behavior - for example, to evaluate whether a model faithfully followed instructions or generated safe outputs. However, future superhuman models will behave in complex ways too difficult for humans to reliably evaluate; humans will only be able to weakly supervise superhuman models. We study an analogy to this problem: can weak model supervision elicit the full capabilities of a much stronger model? We test this using a range of pretrained language models in the GPT-4 family on natural language processing (NLP), chess, and reward modeling tasks. We find that when we naively finetune strong pretrained models on labels generated by a weak model, they consistently perform better than their weak supervisors, a phenomenon we call weak-to-strong generalization. However, we are still far from recovering the full capabilities of strong models with naive finetuning alone, suggesting that techniques like RLHF may scale poorly to superhuman models without further work. We find that simple methods can often significantly improve weak-to-strong generalization: for example, when finetuning GPT-4 with a GPT-2-level supervisor and an auxiliary confidence loss, we can recover close to GPT-3.5-level performance on NLP tasks. Our results suggest that it is feasible to make empirical progress today on a fundamental challenge of aligning superhuman models.

It has been observed in recent years that transformers have problems with length generalization for certain types of reasoning and arithmetic tasks. In particular, the performance of a transformer model trained on tasks (say addition) up to a certain length (e.g., 5 digit numbers) drops sharply when applied to longer instances of the same problem. This work proposes an approach based on task hinting towards addressing length generalization. Our key idea is that while training the model on task-specific data, it is helpful to simultaneously train the model to solve a simpler but related auxiliary task as well. We study the classical sorting problem as a canonical example to evaluate our approach. We design a multitask training framework and show that task hinting significantly improve length generalization. For sorting we show that it is possible to train models on data consisting of sequences having length at most 20, and improve the test accuracy on sequences of length 100 from less than 1% (for standard training) to more than 92% (via task hinting). Our study uncovers several interesting aspects of length generalization. We observe that while several auxiliary tasks may seem natural a priori, their effectiveness in improving length generalization differs dramatically. We further use probing and visualization-based techniques to understand the internal mechanisms via which the model performs the task, and propose a theoretical construction consistent with the observed learning behaviors of the model. Based on our construction, we show that introducing a small number of length dependent parameters into the training procedure can further boost the performance on unseen lengths. Finally, we also show the efficacy of our task hinting based approach beyond sorting, giving hope that these techniques will be applicable in broader contexts.

Foundation Models (FMs) serve as a general class for the development of artificial intelligence systems, offering broad potential for generalization across a spectrum of downstream tasks. Despite extensive research into self-supervised learning as the cornerstone of FMs, several outstanding issues persist in Graph Foundation Models that rely on graph self-supervised learning, namely: 1) Homogenization. The extent of generalization capability on downstream tasks remains unclear. 2) Scalability. It is unknown how effectively these models can scale to large datasets. 3) Efficiency. The training time and memory usage of these models require evaluation. 4) Training Stop Criteria. Determining the optimal stopping strategy for pre-training across multiple tasks to maximize performance on downstream tasks. To address these questions, we have constructed a rigorous benchmark that thoroughly analyzes and studies the generalization and scalability of self-supervised Graph Neural Network (GNN) models. Regarding generalization, we have implemented and compared the performance of various self-supervised GNN models, trained to generate node representations, across tasks such as node classification, link prediction, and node clustering. For scalability, we have compared the performance of various models after training using full-batch and mini-batch strategies. Additionally, we have assessed the training efficiency of these models by conducting experiments to test their GPU memory usage and throughput. Through these experiments, we aim to provide insights to motivate future research. The code for this benchmark is publicly available at https://github.com/NYUSHCS/GraphFM.

The RNN transducer is a promising end-to-end model candidate. We compare the original training criterion with the full marginalization over all alignments, to the commonly used maximum approximation, which simplifies, improves and speeds up our training. We also generalize from the original neural network model and study more powerful models, made possible due to the maximum approximation. We further generalize the output label topology to cover RNN-T, RNA and CTC. We perform several studies among all these aspects, including a study on the effect of external alignments. We find that the transducer model generalizes much better on longer sequences than the attention model. Our final transducer model outperforms our attention model on Switchboard 300h by over 6% relative WER.

As text generative models can give increasingly long answers, we tackle the problem of synthesizing long text in digital ink. We show that the commonly used models for this task fail to generalize to long-form data and how this problem can be solved by augmenting the training data, changing the model architecture and the inference procedure. These methods use contrastive learning technique and are tailored specifically for the handwriting domain. They can be applied to any encoder-decoder model that works with digital ink. We demonstrate that our method reduces the character error rate on long-form English data by half compared to baseline RNN and by 16% compared to the previous approach that aims at addressing the same problem. We show that all three parts of the method improve recognizability of generated inks. In addition, we evaluate synthesized data in a human study and find that people perceive most of generated data as real.

Meta-training, which fine-tunes the language model (LM) on various downstream tasks by maximizing the likelihood of the target label given the task instruction and input instance, has improved the zero-shot task generalization performance. However, meta-trained LMs still struggle to generalize to challenging tasks containing novel labels unseen during meta-training. In this paper, we propose Flipped Learning, an alternative method of meta-training which trains the LM to generate the task instruction given the input instance and label. During inference, the LM trained with Flipped Learning, referred to as Flipped, selects the label option that is most likely to generate the task instruction. On 14 tasks of the BIG-bench benchmark, the 11B-sized Flipped outperforms zero-shot T0-11B and even a 16 times larger 3-shot GPT-3 (175B) on average by 8.4% and 9.7% points, respectively. Flipped gives particularly large improvements on tasks with unseen labels, outperforming T0-11B by up to +20% average F1 score. This indicates that the strong task generalization of Flipped comes from improved generalization to novel labels. We release our code at https://github.com/seonghyeonye/Flipped-Learning.

Recent empirical works have successfully used unlabeled data to learn feature representations that are broadly useful in downstream classification tasks. Several of these methods are reminiscent of the well-known word2vec embedding algorithm: leveraging availability of pairs of semantically "similar" data points and "negative samples," the learner forces the inner product of representations of similar pairs with each other to be higher on average than with negative samples. The current paper uses the term contrastive learning for such algorithms and presents a theoretical framework for analyzing them by introducing latent classes and hypothesizing that semantically similar points are sampled from the same latent class. This framework allows us to show provable guarantees on the performance of the learned representations on the average classification task that is comprised of a subset of the same set of latent classes. Our generalization bound also shows that learned representations can reduce (labeled) sample complexity on downstream tasks. We conduct controlled experiments in both the text and image domains to support the theory.

Recent text-to-image (T2I) generative models allow for high-quality synthesis following either text instructions or visual examples. Despite their capabilities, these models face limitations in creating new, detailed creatures within specific categories (e.g., virtual dog or bird species), which are valuable in digital asset creation and biodiversity analysis. To bridge this gap, we introduce a novel task, Virtual Creatures Generation: Given a set of unlabeled images of the target concepts (e.g., 200 bird species), we aim to train a T2I model capable of creating new, hybrid concepts within diverse backgrounds and contexts. We propose a new method called DreamCreature, which identifies and extracts the underlying sub-concepts (e.g., body parts of a specific species) in an unsupervised manner. The T2I thus adapts to generate novel concepts (e.g., new bird species) with faithful structures and photorealistic appearance by seamlessly and flexibly composing learned sub-concepts. To enhance sub-concept fidelity and disentanglement, we extend the textual inversion technique by incorporating an additional projector and tailored attention loss regularization. Extensive experiments on two fine-grained image benchmarks demonstrate the superiority of DreamCreature over prior methods in both qualitative and quantitative evaluation. Ultimately, the learned sub-concepts facilitate diverse creative applications, including innovative consumer product designs and nuanced property modifications.

While Large Language Models (LLMs) have demonstrated exceptional multitasking abilities, fine-tuning these models on downstream, domain-specific datasets is often necessary to yield superior performance on test sets compared to their counterparts without fine-tuning. However, the comprehensive effects of fine-tuning on the LLMs' generalization ability are not fully understood. This paper delves into the differences between original, unmodified LLMs and their fine-tuned variants. Our primary investigation centers on whether fine-tuning affects the generalization ability intrinsic to LLMs. To elaborate on this, we conduct extensive experiments across five distinct language tasks on various datasets. Our main findings reveal that models fine-tuned on generation and classification tasks exhibit dissimilar behaviors in generalizing to different domains and tasks. Intriguingly, we observe that integrating the in-context learning strategy during fine-tuning on generation tasks can enhance the model's generalization ability. Through this systematic investigation, we aim to contribute valuable insights into the evolving landscape of fine-tuning practices for LLMs.

Fine-tuning large language models (LLMs) can lead to unintended out-of-distribution generalization. Standard approaches to this problem rely on modifying training data, for example by adding data that better specify the intended generalization. However, this is not always practical. We introduce Concept Ablation Fine-Tuning (CAFT), a technique that leverages interpretability tools to control how LLMs generalize from fine-tuning, without needing to modify the training data or otherwise use data from the target distribution. Given a set of directions in an LLM's latent space corresponding to undesired concepts, CAFT works by ablating these concepts with linear projections during fine-tuning, steering the model away from unintended generalizations. We successfully apply CAFT to three fine-tuning tasks, including emergent misalignment, a phenomenon where LLMs fine-tuned on a narrow task generalize to give egregiously misaligned responses to general questions. Without any changes to the fine-tuning data, CAFT reduces misaligned responses by 10x without degrading performance on the training distribution. Overall, CAFT represents a novel approach for steering LLM generalization without modifying training data.

We study whether transformers can learn to implicitly reason over parametric knowledge, a skill that even the most capable language models struggle with. Focusing on two representative reasoning types, composition and comparison, we consistently find that transformers can learn implicit reasoning, but only through grokking, i.e., extended training far beyond overfitting. The levels of generalization also vary across reasoning types: when faced with out-of-distribution examples, transformers fail to systematically generalize for composition but succeed for comparison. We delve into the model's internals throughout training, conducting analytical experiments that reveal: 1) the mechanism behind grokking, such as the formation of the generalizing circuit and its relation to the relative efficiency of generalizing and memorizing circuits, and 2) the connection between systematicity and the configuration of the generalizing circuit. Our findings guide data and training setup to better induce implicit reasoning and suggest potential improvements to the transformer architecture, such as encouraging cross-layer knowledge sharing. Furthermore, we demonstrate that for a challenging reasoning task with a large search space, GPT-4-Turbo and Gemini-1.5-Pro based on non-parametric memory fail badly regardless of prompting styles or retrieval augmentation, while a fully grokked transformer can achieve near-perfect accuracy, showcasing the power of parametric memory for complex reasoning.

Generalized category discovery (GCD) is a pragmatic but underexplored problem, which requires models to automatically cluster and discover novel categories by leveraging the labeled samples from old classes. The challenge is that unlabeled data contain both old and new classes. Early works leveraging pseudo-labeling with parametric classifiers handle old and new classes separately, which brings about imbalanced accuracy between them. Recent methods employing contrastive learning neglect potential positives and are decoupled from the clustering objective, leading to biased representations and sub-optimal results. To address these issues, we introduce a unified and unbiased prototype learning framework, namely ProtoGCD, wherein old and new classes are modeled with joint prototypes and unified learning objectives, {enabling unified modeling between old and new classes}. Specifically, we propose a dual-level adaptive pseudo-labeling mechanism to mitigate confirmation bias, together with two regularization terms to collectively help learn more suitable representations for GCD. Moreover, for practical considerations, we devise a criterion to estimate the number of new classes. Furthermore, we extend ProtoGCD to detect unseen outliers, achieving task-level unification. Comprehensive experiments show that ProtoGCD achieves state-of-the-art performance on both generic and fine-grained datasets. The code is available at https://github.com/mashijie1028/ProtoGCD.

Large language models like GPT-4 exhibit emergent capabilities across general-purpose tasks, such as basic arithmetic, when trained on extensive text data, even though these tasks are not explicitly encoded by the unsupervised, next-token prediction objective. This study investigates how small transformers, trained from random initialization, can efficiently learn arithmetic operations such as addition, multiplication, and elementary functions like square root, using the next-token prediction objective. We first demonstrate that conventional training data is not the most effective for arithmetic learning, and simple formatting changes can significantly improve accuracy. This leads to sharp phase transitions as a function of training data scale, which, in some cases, can be explained through connections to low-rank matrix completion. Building on prior work, we then train on chain-of-thought style data that includes intermediate step results. Even in the complete absence of pretraining, this approach significantly and simultaneously improves accuracy, sample complexity, and convergence speed. We also study the interplay between arithmetic and text data during training and examine the effects of few-shot prompting, pretraining, and model scale. Additionally, we discuss length generalization challenges. Our work highlights the importance of high-quality, instructive data that considers the particular characteristics of the next-word prediction objective for rapidly eliciting arithmetic capabilities.

The field of neural machine translation (NMT) has changed with the advent of large language models (LLMs). Much of the recent emphasis in natural language processing (NLP) has been on modeling machine translation and many other problems using a single pre-trained Transformer decoder, while encoder-decoder architectures, which were the standard in earlier NMT models, have received relatively less attention. In this paper, we explore translation models that are universal, efficient, and easy to optimize, by marrying the world of LLMs with the world of NMT. We apply LLMs to NMT encoding and leave the NMT decoder unchanged. We also develop methods for adapting LLMs to work better with the NMT decoder. Furthermore, we construct a new dataset involving multiple tasks to assess how well the machine translation system generalizes across various tasks. Evaluations on the WMT and our datasets show that results using our method match or surpass a range of baselines in terms of translation quality, but achieve 2.4 sim 6.5 times inference speedups and a 75% reduction in the memory footprint of the KV cache. It also demonstrates strong generalization across a variety of translation-related tasks.

Neural networks efficiently encode learned information within their parameters. Consequently, many tasks can be unified by treating neural networks themselves as input data. When doing so, recent studies demonstrated the importance of accounting for the symmetries and geometry of parameter spaces. However, those works developed architectures tailored to specific networks such as MLPs and CNNs without normalization layers, and generalizing such architectures to other types of networks can be challenging. In this work, we overcome these challenges by building new metanetworks - neural networks that take weights from other neural networks as input. Put simply, we carefully build graphs representing the input neural networks and process the graphs using graph neural networks. Our approach, Graph Metanetworks (GMNs), generalizes to neural architectures where competing methods struggle, such as multi-head attention layers, normalization layers, convolutional layers, ResNet blocks, and group-equivariant linear layers. We prove that GMNs are expressive and equivariant to parameter permutation symmetries that leave the input neural network functions unchanged. We validate the effectiveness of our method on several metanetwork tasks over diverse neural network architectures.

The rapid advancements in large language models (LLMs) have demonstrated their potential to accelerate scientific discovery, particularly in automating the process of research ideation. LLM-based systems have shown promise in generating hypotheses and research ideas. However, current approaches predominantly rely on prompting-based pre-trained models, limiting their ability to optimize generated content effectively. Moreover, they also lack the capability to deal with the complex interdependence and inherent restrictions among novelty, feasibility, and effectiveness, which remains challenging due to the inherent trade-offs among these dimensions, such as the innovation-feasibility conflict. To address these limitations, we for the first time propose fine-tuning LLMs to be better idea proposers and introduce a novel framework that employs a two-stage approach combining Supervised Fine-Tuning (SFT) and controllable Reinforcement Learning (RL). In the SFT stage, the model learns foundational patterns from pairs of research papers and follow-up ideas. In the RL stage, multi-dimensional reward modeling, guided by fine-grained feedback, evaluates and optimizes the generated ideas across key metrics. Dimensional controllers enable dynamic adjustment of generation, while a sentence-level decoder ensures context-aware emphasis during inference. Our framework provides a balanced approach to research ideation, achieving high-quality outcomes by dynamically navigating the trade-offs among novelty, feasibility, and effectiveness.

A fundamental question in modern machine learning is why large, over-parameterized models, such as deep neural networks and transformers, tend to generalize well, even when their number of parameters far exceeds the number of training samples. We investigate this phenomenon through the lens of information theory, grounded in universal learning theory. Specifically, we study a Bayesian mixture learner with log-loss and (almost) uniform prior over an expansive hypothesis class. Our key result shows that the learner's regret is not determined by the overall size of the hypothesis class, but rather by the cumulative probability of all models that are close, in Kullback-Leibler divergence distance, to the true data-generating process. We refer to this cumulative probability as the weight of the hypothesis. This leads to a natural notion of model simplicity: simple models are those with large weight and thus require fewer samples to generalize, while complex models have small weight and need more data. This perspective provides a rigorous and intuitive explanation for why over-parameterized models often avoid overfitting: the presence of simple hypotheses allows the posterior to concentrate on them when supported by the data. We further bridge theory and practice by recalling that stochastic gradient descent with Langevin dynamics samples from the correct posterior distribution, enabling our theoretical learner to be approximated using standard machine learning methods combined with ensemble learning. Our analysis yields non-uniform regret bounds and aligns with key practical concepts such as flat minima and model distillation. The results apply broadly across online, batch, and supervised learning settings, offering a unified and principled understanding of the generalization behavior of modern AI systems.

Supervised learning datasets may contain multiple cues that explain the training set equally well, i.e., learning any of them would lead to the correct predictions on the training data. However, many of them can be spurious, i.e., lose their predictive power under a distribution shift and consequently fail to generalize to out-of-distribution (OOD) data. Recently developed "diversification" methods (Lee et al., 2023; Pagliardini et al., 2023) approach this problem by finding multiple diverse hypotheses that rely on different features. This paper aims to study this class of methods and identify the key components contributing to their OOD generalization abilities. We show that (1) diversification methods are highly sensitive to the distribution of the unlabeled data used for diversification and can underperform significantly when away from a method-specific sweet spot. (2) Diversification alone is insufficient for OOD generalization. The choice of the used learning algorithm, e.g., the model's architecture and pretraining, is crucial. In standard experiments (classification on Waterbirds and Office-Home datasets), using the second-best choice leads to an up to 20\% absolute drop in accuracy. (3) The optimal choice of learning algorithm depends on the unlabeled data and vice versa i.e. they are co-dependent. (4) Finally, we show that, in practice, the above pitfalls cannot be alleviated by increasing the number of diverse hypotheses, the major feature of diversification methods. These findings provide a clearer understanding of the critical design factors influencing the OOD generalization abilities of diversification methods. They can guide practitioners in how to use the existing methods best and guide researchers in developing new, better ones.

Learning scientific document representations can be substantially improved through contrastive learning objectives, where the challenge lies in creating positive and negative training samples that encode the desired similarity semantics. Prior work relies on discrete citation relations to generate contrast samples. However, discrete citations enforce a hard cut-off to similarity. This is counter-intuitive to similarity-based learning, and ignores that scientific papers can be very similar despite lacking a direct citation - a core problem of finding related research. Instead, we use controlled nearest neighbor sampling over citation graph embeddings for contrastive learning. This control allows us to learn continuous similarity, to sample hard-to-learn negatives and positives, and also to avoid collisions between negative and positive samples by controlling the sampling margin between them. The resulting method SciNCL outperforms the state-of-the-art on the SciDocs benchmark. Furthermore, we demonstrate that it can train (or tune) models sample-efficiently, and that it can be combined with recent training-efficient methods. Perhaps surprisingly, even training a general-domain language model this way outperforms baselines pretrained in-domain.

The goal of few-shot learning is to generalize and achieve high performance on new unseen learning tasks, where each task has only a limited number of examples available. Gradient-based meta-learning attempts to address this challenging task by learning how to learn new tasks by embedding inductive biases informed by prior learning experiences into the components of the learning algorithm. In this work, we build upon prior research and propose Neural Procedural Bias Meta-Learning (NPBML), a novel framework designed to meta-learn task-adaptive procedural biases. Our approach aims to consolidate recent advancements in meta-learned initializations, optimizers, and loss functions by learning them simultaneously and making them adapt to each individual task to maximize the strength of the learned inductive biases. This imbues each learning task with a unique set of procedural biases which is specifically designed and selected to attain strong learning performance in only a few gradient steps. The experimental results show that by meta-learning the procedural biases of a neural network, we can induce strong inductive biases towards a distribution of learning tasks, enabling robust learning performance across many well-established few-shot learning benchmarks.

LLMs have revolutionized the field of artificial intelligence and have emerged as the de-facto tool for many tasks. The current established technology of LLMs is to process input and generate output at the token level. This is in sharp contrast to humans who operate at multiple levels of abstraction, well beyond single words, to analyze information and to generate creative content. In this paper, we present an attempt at an architecture which operates on an explicit higher-level semantic representation, which we name a concept. Concepts are language- and modality-agnostic and represent a higher level idea or action in a flow. Hence, we build a "Large Concept Model". In this study, as proof of feasibility, we assume that a concept corresponds to a sentence, and use an existing sentence embedding space, SONAR, which supports up to 200 languages in both text and speech modalities. The Large Concept Model is trained to perform autoregressive sentence prediction in an embedding space. We explore multiple approaches, namely MSE regression, variants of diffusion-based generation, and models operating in a quantized SONAR space. These explorations are performed using 1.6B parameter models and training data in the order of 1.3T tokens. We then scale one architecture to a model size of 7B parameters and training data of about 2.7T tokens. We perform an experimental evaluation on several generative tasks, namely summarization and a new task of summary expansion. Finally, we show that our model exhibits impressive zero-shot generalization performance to many languages, outperforming existing LLMs of the same size. The training code of our models is freely available.

We explore different ways to utilize position-based cross-attention in seq2seq networks to enable length generalization in algorithmic tasks. We show that a simple approach of interpolating the original and reversed encoded representations combined with relative attention allows near-perfect length generalization for both forward and reverse lookup tasks or copy tasks that had been generally hard to tackle. We also devise harder diagnostic tasks where the relative distance of the ideal attention position varies with timestep. In such settings, the simple interpolation trick with relative attention is not sufficient. We introduce novel variants of location attention building on top of Dubois et al. (2020) to address the new diagnostic tasks. We also show the benefits of our approaches for length generalization in SCAN (Lake & Baroni, 2018) and CFQ (Keysers et al., 2020). Our code is available on GitHub.

To build an artificial neural network like the biological intelligence system, recent works have unified numerous tasks into a generalist model, which can process various tasks with shared parameters and do not have any task-specific modules. While generalist models achieve promising results on various benchmarks, they have performance degradation on some tasks compared with task-specialized models. In this work, we find that interference among different tasks and modalities is the main factor to this phenomenon. To mitigate such interference, we introduce the Conditional Mixture-of-Experts (Conditional MoEs) to generalist models. Routing strategies under different levels of conditions are proposed to take both the training/inference cost and generalization ability into account. By incorporating the proposed Conditional MoEs, the recently proposed generalist model Uni-Perceiver can effectively mitigate the interference across tasks and modalities, and achieves state-of-the-art results on a series of downstream tasks via prompt tuning on 1% of downstream data. Moreover, the introduction of Conditional MoEs still holds the generalization ability of generalist models to conduct zero-shot inference on new tasks, e.g., video-text retrieval and video caption. Code and pre-trained generalist models shall be released.

Many approaches have been proposed to use diffusion models to augment training datasets for downstream tasks, such as classification. However, diffusion models are themselves trained on large datasets, often with noisy annotations, and it remains an open question to which extent these models contribute to downstream classification performance. In particular, it remains unclear if they generalize enough to improve over directly using the additional data of their pre-training process for augmentation. We systematically evaluate a range of existing methods to generate images from diffusion models and study new extensions to assess their benefit for data augmentation. Personalizing diffusion models towards the target data outperforms simpler prompting strategies. However, using the pre-training data of the diffusion model alone, via a simple nearest-neighbor retrieval procedure, leads to even stronger downstream performance. Our study explores the potential of diffusion models in generating new training data, and surprisingly finds that these sophisticated models are not yet able to beat a simple and strong image retrieval baseline on simple downstream vision tasks.

We introduce Synthetic Bootstrapped Pretraining (SBP), a language model (LM) pretraining procedure that first learns a model of relations between documents from the pretraining dataset and then leverages it to synthesize a vast new corpus for joint training. While the standard pretraining teaches LMs to learn causal correlations among tokens within a single document, it is not designed to efficiently model the rich, learnable inter-document correlations that can potentially lead to better performance. We validate SBP by designing a compute-matched pretraining setup and pretrain a 3B-parameter model on up to 1T tokens from scratch. We find SBP consistently improves upon a strong repetition baseline and delivers a significant fraction of performance improvement attainable by an oracle upper bound with access to 20x more unique data. Qualitative analysis reveals that the synthesized documents go beyond mere paraphrases -- SBP first abstracts a core concept from the seed material and then crafts a new narration on top of it. Besides strong empirical performance, SBP admits a natural Bayesian interpretation: the synthesizer implicitly learns to abstract the latent concepts shared between related documents.

This paper introduces the counter-intuitive generalization results of overfitting pre-trained large language models (LLMs) on very small datasets. In the setting of open-ended text generation, it is well-documented that LLMs tend to generate repetitive and dull sequences, a phenomenon that is especially apparent when generating using greedy decoding. This issue persists even with state-of-the-art LLMs containing billions of parameters, trained via next-token prediction on large datasets. We find that by further fine-tuning these models to achieve a near-zero training loss on a small set of samples -- a process we refer to as hyperfitting -- the long-sequence generative capabilities are greatly enhanced. Greedy decoding with these Hyperfitted models even outperform Top-P sampling over long-sequences, both in terms of diversity and human preferences. This phenomenon extends to LLMs of various sizes, different domains, and even autoregressive image generation. We further find this phenomena to be distinctly different from that of Grokking and double descent. Surprisingly, our experiments indicate that hyperfitted models rarely fall into repeating sequences they were trained on, and even explicitly blocking these sequences results in high-quality output. All hyperfitted models produce extremely low-entropy predictions, often allocating nearly all probability to a single token.

A growing body of research has demonstrated the inability of NLP models to generalize compositionally and has tried to alleviate it through specialized architectures, training schemes, and data augmentation, among other approaches. In this work, we study a different approach: training on instances with diverse structures. We propose a model-agnostic algorithm for subsampling such sets of instances from a labeled instance pool with structured outputs. Evaluating on both compositional template splits and traditional IID splits of 5 semantic parsing datasets of varying complexity, we show that structurally diverse training using our algorithm leads to comparable or better generalization than prior algorithms in 9 out of 10 dataset-split type pairs. In general, we find structural diversity to consistently improve sample efficiency compared to random train sets. Moreover, we show that structurally diverse sampling yields comprehensive test sets that are a lot more challenging than IID test sets. Finally, we provide two explanations for improved generalization from diverse train sets: 1) improved coverage of output substructures, and 2) a reduction in spurious correlations between these substructures.