Daily Papers

While research on applications and evaluations of explanation methods continues to expand, fairness of the explanation methods concerning disparities in their performance across subgroups remains an often overlooked aspect. In this paper, we address this gap by showing that, across three tasks and five language models, widely used post-hoc feature attribution methods exhibit significant gender disparity with respect to their faithfulness, robustness, and complexity. These disparities persist even when the models are pre-trained or fine-tuned on particularly unbiased datasets, indicating that the disparities we observe are not merely consequences of biased training data. Our results highlight the importance of addressing disparities in explanations when developing and applying explainability methods, as these can lead to biased outcomes against certain subgroups, with particularly critical implications in high-stakes contexts. Furthermore, our findings underscore the importance of incorporating the fairness of explanations, alongside overall model fairness and explainability, as a requirement in regulatory frameworks.

Neural networks for NLP are becoming increasingly complex and widespread, and there is a growing concern if these models are responsible to use. Explaining models helps to address the safety and ethical concerns and is essential for accountability. Interpretability serves to provide these explanations in terms that are understandable to humans. Additionally, post-hoc methods provide explanations after a model is learned and are generally model-agnostic. This survey provides a categorization of how recent post-hoc interpretability methods communicate explanations to humans, it discusses each method in-depth, and how they are validated, as the latter is often a common concern.

Previous work has highlighted that existing post-hoc explanation methods exhibit disparities in explanation fidelity (across 'race' and 'gender' as sensitive attributes), and while a large body of work focuses on mitigating these issues at the explanation metric level, the role of the data generating process and black box model in relation to explanation disparities remains largely unexplored. Accordingly, through both simulations as well as experiments on a real-world dataset, we specifically assess challenges to explanation disparities that originate from properties of the data: limited sample size, covariate shift, concept shift, omitted variable bias, and challenges based on model properties: inclusion of the sensitive attribute and appropriate functional form. Through controlled simulation analyses, our study demonstrates that increased covariate shift, concept shift, and omission of covariates increase explanation disparities, with the effect pronounced higher for neural network models that are better able to capture the underlying functional form in comparison to linear models. We also observe consistent findings regarding the effect of concept shift and omitted variable bias on explanation disparities in the Adult income dataset. Overall, results indicate that disparities in model explanations can also depend on data and model properties. Based on this systematic investigation, we provide recommendations for the design of explanation methods that mitigate undesirable disparities.

Attention-based architectures, in particular transformers, are at the heart of a technological revolution. Interestingly, in addition to helping obtain state-of-the-art results on a wide range of applications, the attention mechanism intrinsically provides meaningful insights on the internal behavior of the model. Can these insights be used as explanations? Debate rages on. In this paper, we mathematically study a simple attention-based architecture and pinpoint the differences between post-hoc and attention-based explanations. We show that they provide quite different results, and that, despite their limitations, post-hoc methods are capable of capturing more useful insights than merely examining the attention weights.

Large neural models are increasingly deployed in high-stakes settings, raising concerns about whether their behavior reliably aligns with human values. Interpretability provides a route to internal transparency by revealing the computations that drive outputs. We argue that interpretability especially mechanistic approaches should be treated as a design principle for alignment, not an auxiliary diagnostic tool. Post-hoc methods such as LIME or SHAP offer intuitive but correlational explanations, while mechanistic techniques like circuit tracing or activation patching yield causal insight into internal failures, including deceptive or misaligned reasoning that behavioral methods like RLHF, red teaming, or Constitutional AI may overlook. Despite these advantages, interpretability faces challenges of scalability, epistemic uncertainty, and mismatches between learned representations and human concepts. Our position is that progress on safe and trustworthy AI will depend on making interpretability a first-class objective of AI research and development, ensuring that systems are not only effective but also auditable, transparent, and aligned with human intent.

Deep learning-based electrocardiogram (ECG) classification has shown impressive performance but clinical adoption has been slowed by the lack of transparent and faithful explanations. Post hoc methods such as saliency maps may fail to reflect a model's true decision process. Prototype-based reasoning offers a more transparent alternative by grounding decisions in similarity to learned representations of real ECG segments, enabling faithful, case-based explanations. We introduce ProtoECGNet, a prototype-based deep learning model for interpretable, multi-label ECG classification. ProtoECGNet employs a structured, multi-branch architecture that reflects clinical interpretation workflows: it integrates a 1D CNN with global prototypes for rhythm classification, a 2D CNN with time-localized prototypes for morphology-based reasoning, and a 2D CNN with global prototypes for diffuse abnormalities. Each branch is trained with a prototype loss designed for multi-label learning, combining clustering, separation, diversity, and a novel contrastive loss that encourages appropriate separation between prototypes of unrelated classes while allowing clustering for frequently co-occurring diagnoses. We evaluate ProtoECGNet on all 71 diagnostic labels from the PTB-XL dataset, demonstrating competitive performance relative to state-of-the-art black-box models while providing structured, case-based explanations. To assess prototype quality, we conduct a structured clinician review of the final model's projected prototypes, finding that they are rated as representative and clear. ProtoECGNet shows that prototype learning can be effectively scaled to complex, multi-label time-series classification, offering a practical path toward transparent and trustworthy deep learning models for clinical decision support.

Identifying Out-of-distribution (OOD) data is becoming increasingly critical as the real-world applications of deep learning methods expand. Post-hoc methods modify softmax scores fine-tuned on outlier data or leverage intermediate feature layers to identify distinctive patterns between In-Distribution (ID) and OOD samples. Other methods focus on employing diverse OOD samples to learn discrepancies between ID and OOD. These techniques, however, are typically dependent on the quality of the outlier samples assumed. Density-based methods explicitly model class-conditioned distributions but this requires long training time or retraining the classifier. To tackle these issues, we introduce FlowCon, a new density-based OOD detection technique. Our main innovation lies in efficiently combining the properties of normalizing flow with supervised contrastive learning, ensuring robust representation learning with tractable density estimation. Empirical evaluation shows the enhanced performance of our method across common vision datasets such as CIFAR-10 and CIFAR-100 pretrained on ResNet18 and WideResNet classifiers. We also perform quantitative analysis using likelihood plots and qualitative visualization using UMAP embeddings and demonstrate the robustness of the proposed method under various OOD contexts. Code will be open-sourced post decision.

Accurate probabilistic predictions are essential for optimal decision making. While neural network miscalibration has been studied primarily in classification, we investigate this in the less-explored domain of regression. We conduct the largest empirical study to date to assess the probabilistic calibration of neural networks. We also analyze the performance of recalibration, conformal, and regularization methods to enhance probabilistic calibration. Additionally, we introduce novel differentiable recalibration and regularization methods, uncovering new insights into their effectiveness. Our findings reveal that regularization methods offer a favorable tradeoff between calibration and sharpness. Post-hoc methods exhibit superior probabilistic calibration, which we attribute to the finite-sample coverage guarantee of conformal prediction. Furthermore, we demonstrate that quantile recalibration can be considered as a specific case of conformal prediction. Our study is fully reproducible and implemented in a common code base for fair comparisons.

Interpretability is a pressing issue for decision systems. Many post hoc methods have been proposed to explain the predictions of a single machine learning model. However, business processes and decision systems are rarely centered around a unique model. These systems combine multiple models that produce key predictions, and then apply decision rules to generate the final decision. To explain such decisions, we propose the Semi-Model-Agnostic Contextual Explainer (SMACE), a new interpretability method that combines a geometric approach for decision rules with existing interpretability methods for machine learning models to generate an intuitive feature ranking tailored to the end user. We show that established model-agnostic approaches produce poor results on tabular data in this setting, in particular giving the same importance to several features, whereas SMACE can rank them in a meaningful way.

As large language models (LLMs) continue to advance in capabilities, ensuring their safety against jailbreak attacks remains a critical challenge. In this paper, we introduce a novel safety alignment approach called Answer-Then-Check, which enhances LLM robustness against malicious prompts by applying thinking ability to mitigate jailbreaking problems before producing a final answer to the user. Our method enables models to directly answer the question in their thought and then critically evaluate its safety before deciding whether to provide it. To implement this approach, we construct the Reasoned Safety Alignment (ReSA) dataset, comprising 80K examples that teach models to reason through direct responses and then analyze their safety. Experimental results demonstrate that our approach achieves the Pareto frontier with superior safety capability while decreasing over-refusal rates on over-refusal benchmarks. Notably, the model fine-tuned with ReSA maintains general reasoning capabilities on benchmarks like MMLU, MATH500, and HumanEval. Besides, our method equips models with the ability to perform safe completion. Unlike post-hoc methods that can only reject harmful queries, our model can provide helpful and safe alternative responses for sensitive topics (e.g., self-harm). Furthermore, we discover that training on a small subset of just 500 examples can achieve comparable performance to using the full dataset, suggesting that safety alignment may require less data than previously assumed.

Explainable AI (XAI) methods generally fall into two categories. Post-hoc approaches generate explanations for pre-trained models and are compatible with various neural network architectures. These methods often use feature importance visualizations, such as saliency maps, to indicate which input regions influenced the model's prediction. Unfortunately, they typically offer a coarse understanding of the model's decision-making process. In contrast, ante-hoc (inherently explainable) methods rely on specially designed model architectures trained from scratch. A notable subclass of these methods provides explanations through prototypes, representative patches extracted from the training data. However, prototype-based approaches have limitations: they require dedicated architectures, involve specialized training procedures, and perform well only on specific datasets. In this work, we propose EPIC (Explanation of Pretrained Image Classification), a novel approach that bridges the gap between these two paradigms. Like post-hoc methods, EPIC operates on pre-trained models without architectural modifications. Simultaneously, it delivers intuitive, prototype-based explanations inspired by ante-hoc techniques. To the best of our knowledge, EPIC is the first post-hoc method capable of fully replicating the core explanatory power of inherently interpretable models. We evaluate EPIC on benchmark datasets commonly used in prototype-based explanations, such as CUB-200-2011 and Stanford Cars, alongside large-scale datasets like ImageNet, typically employed by post-hoc methods. EPIC uses prototypes to explain model decisions, providing a flexible and easy-to-understand tool for creating clear, high-quality explanations.

A growing intuition in machine learning suggests a link between sparsity and interpretability. We introduce a novel self-ablation mechanism to investigate this connection ante-hoc in the context of language transformers. Our approach dynamically enforces a k-winner-takes-all constraint, forcing the model to demonstrate selective activation across neuron and attention units. Unlike post-hoc methods that analyze already-trained models, our approach integrates interpretability directly into model training, promoting feature localization from inception. Training small models on the TinyStories dataset and employing interpretability tests, we find that self-ablation leads to more localized circuits, concentrated feature representations, and increased neuron specialization without compromising language modelling performance. Surprisingly, our method also decreased overall sparsity, indicating that self-ablation promotes specialization rather than widespread inactivity. This reveals a complex interplay between sparsity and interpretability, where decreased global sparsity can coexist with increased local specialization, leading to enhanced interpretability. To facilitate reproducibility, we make our code available at https://github.com/keenanpepper/self-ablating-transformers.

Neurons in large language models often exhibit polysemanticity, simultaneously encoding multiple unrelated concepts and obscuring interpretability. Instead of relying on post-hoc methods, we present MoE-X, a Mixture-of-Experts (MoE) language model designed to be intrinsically interpretable. Our approach is motivated by the observation that, in language models, wider networks with sparse activations are more likely to capture interpretable factors. However, directly training such large sparse networks is computationally prohibitive. MoE architectures offer a scalable alternative by activating only a subset of experts for any given input, inherently aligning with interpretability objectives. In MoE-X, we establish this connection by rewriting the MoE layer as an equivalent sparse, large MLP. This approach enables efficient scaling of the hidden size while maintaining sparsity. To further enhance interpretability, we enforce sparse activation within each expert and redesign the routing mechanism to prioritize experts with the highest activation sparsity. These designs ensure that only the most salient features are routed and processed by the experts. We evaluate MoE-X on chess and natural language tasks, showing that it achieves performance comparable to dense models while significantly improving interpretability. MoE-X achieves a perplexity better than GPT-2, with interpretability surpassing even sparse autoencoder (SAE)-based approaches.

Calibrating deep learning models to yield uncertainty-aware predictions is crucial as deep neural networks get increasingly deployed in safety-critical applications. While existing post-hoc calibration methods achieve impressive results on in-domain test datasets, they are limited by their inability to yield reliable uncertainty estimates in domain-shift and out-of-domain (OOD) scenarios. We aim to bridge this gap by proposing DAC, an accuracy-preserving as well as Density-Aware Calibration method based on k-nearest-neighbors (KNN). In contrast to existing post-hoc methods, we utilize hidden layers of classifiers as a source for uncertainty-related information and study their importance. We show that DAC is a generic method that can readily be combined with state-of-the-art post-hoc methods. DAC boosts the robustness of calibration performance in domain-shift and OOD, while maintaining excellent in-domain predictive uncertainty estimates. We demonstrate that DAC leads to consistently better calibration across a large number of model architectures, datasets, and metrics. Additionally, we show that DAC improves calibration substantially on recent large-scale neural networks pre-trained on vast amounts of data.

Counterfactual explanations is one of the post-hoc methods used to provide explainability to machine learning models that have been attracting attention in recent years. Most examples in the literature, address the problem of generating post-hoc explanations for black-box machine learning models after the rejection of a loan application. In contrast, in this work, we investigate mathematical programming formulations for scorecard models, a type of interpretable model predominant within the banking industry for lending. The proposed mixed-integer programming formulations combine objective functions to ensure close, realistic and sparse counterfactuals using multi-objective optimization techniques for a binary, probability or continuous outcome. Moreover, we extend these formulations to generate multiple optimal counterfactuals simultaneously while guaranteeing diversity. Experiments on two real-world datasets confirm that the presented approach can generate optimal diverse counterfactuals addressing desired properties with assumable CPU times for practice use.

Large language models of code (Code-LLMs) have recently brought tremendous advances to code completion, a fundamental feature of programming assistance and code intelligence. However, most existing works ignore the possible presence of bugs in the code context for generation, which are inevitable in software development. Therefore, we introduce and study the buggy-code completion problem, inspired by the realistic scenario of real-time code suggestion where the code context contains potential bugs -- anti-patterns that can become bugs in the completed program. To systematically study the task, we introduce two datasets: one with synthetic bugs derived from semantics-altering operator changes (buggy-HumanEval) and one with realistic bugs derived from user submissions to coding problems (buggy-FixEval). We find that the presence of potential bugs significantly degrades the generation performance of the high-performing Code-LLMs. For instance, the passing rates of CodeGen-2B-mono on test cases of buggy-HumanEval drop more than 50% given a single potential bug in the context. Finally, we investigate several post-hoc methods for mitigating the adverse effect of potential bugs and find that there remains a large gap in post-mitigation performance.

Machine unlearning, the ability for a machine learning model to forget, is becoming increasingly important to comply with data privacy regulations, as well as to remove harmful, manipulated, or outdated information. The key challenge lies in forgetting specific information while protecting model performance on the remaining data. While current state-of-the-art methods perform well, they typically require some level of retraining over the retained data, in order to protect or restore model performance. This adds computational overhead and mandates that the training data remain available and accessible, which may not be feasible. In contrast, other methods employ a retrain-free paradigm, however, these approaches are prohibitively computationally expensive and do not perform on par with their retrain-based counterparts. We present Selective Synaptic Dampening (SSD), a novel two-step, post hoc, retrain-free approach to machine unlearning which is fast, performant, and does not require long-term storage of the training data. First, SSD uses the Fisher information matrix of the training and forgetting data to select parameters that are disproportionately important to the forget set. Second, SSD induces forgetting by dampening these parameters proportional to their relative importance to the forget set with respect to the wider training data. We evaluate our method against several existing unlearning methods in a range of experiments using ResNet18 and Vision Transformer. Results show that the performance of SSD is competitive with retrain-based post hoc methods, demonstrating the viability of retrain-free post hoc unlearning approaches.

In the Transformer model, "self-attention" combines information from attended embeddings into the representation of the focal embedding in the next layer. Thus, across layers of the Transformer, information originating from different tokens gets increasingly mixed. This makes attention weights unreliable as explanations probes. In this paper, we consider the problem of quantifying this flow of information through self-attention. We propose two methods for approximating the attention to input tokens given attention weights, attention rollout and attention flow, as post hoc methods when we use attention weights as the relative relevance of the input tokens. We show that these methods give complementary views on the flow of information, and compared to raw attention, both yield higher correlations with importance scores of input tokens obtained using an ablation method and input gradients.

Despite their impressive capabilities, diffusion-based text-to-image (T2I) models can lack faithfulness to the text prompt, where generated images may not contain all the mentioned objects, attributes or relations. To alleviate these issues, recent works proposed post-hoc methods to improve model faithfulness without costly retraining, by modifying how the model utilizes the input prompt. In this work, we take a step back and show that large T2I diffusion models are more faithful than usually assumed, and can generate images faithful to even complex prompts without the need to manipulate the generative process. Based on that, we show how faithfulness can be simply treated as a candidate selection problem instead, and introduce a straightforward pipeline that generates candidate images for a text prompt and picks the best one according to an automatic scoring system that can leverage already existing T2I evaluation metrics. Quantitative comparisons alongside user studies on diverse benchmarks show consistently improved faithfulness over post-hoc enhancement methods, with comparable or lower computational cost. Code is available at https://github.com/ExplainableML/ImageSelect.

Deep learning models have shown their potential for several applications. However, most of the models are opaque and difficult to trust due to their complex reasoning - commonly known as the black-box problem. Some fields, such as medicine, require a high degree of transparency to accept and adopt such technologies. Consequently, creating explainable/interpretable models or applying post-hoc methods on classifiers to build trust in deep learning models are required. Moreover, deep learning methods can be used for segmentation tasks, which typically require hard-to-obtain, time-consuming manually-annotated segmentation labels for training. This paper introduces three inherently-explainable classifiers to tackle both of these problems as one. The localisation heatmaps provided by the networks -- representing the models' focus areas and being used in classification decision-making -- can be directly interpreted, without requiring any post-hoc methods to derive information for model explanation. The models are trained by using the input image and only the classification labels as ground-truth in a supervised fashion - without using any information about the location of the region of interest (i.e. the segmentation labels), making the segmentation training of the models weakly-supervised through classification labels. The final segmentation is obtained by thresholding these heatmaps. The models were employed for the task of multi-class brain tumour classification using two different datasets, resulting in the best F1-score of 0.93 for the supervised classification task while securing a median Dice score of 0.67pm0.08 for the weakly-supervised segmentation task. Furthermore, the obtained accuracy on a subset of tumour-only images outperformed the state-of-the-art glioma tumour grading binary classifiers with the best model achieving 98.7\% accuracy.

Enterprises and organizations are faced with potential threats from insider employees that may lead to serious consequences. Previous studies on insider threat detection (ITD) mainly focus on detecting abnormal users or abnormal time periods (e.g., a week or a day). However, a user may have hundreds of thousands of activities in the log, and even within a day there may exist thousands of activities for a user, requiring a high investigation budget to verify abnormal users or activities given the detection results. On the other hand, existing works are mainly post-hoc methods rather than real-time detection, which can not report insider threats in time before they cause loss. In this paper, we conduct the first study towards real-time ITD at activity level, and present a fine-grained and efficient framework LAN. Specifically, LAN simultaneously learns the temporal dependencies within an activity sequence and the relationships between activities across sequences with graph structure learning. Moreover, to mitigate the data imbalance problem in ITD, we propose a novel hybrid prediction loss, which integrates self-supervision signals from normal activities and supervision signals from abnormal activities into a unified loss for anomaly detection. We evaluate the performance of LAN on two widely used datasets, i.e., CERT r4.2 and CERT r5.2. Extensive and comparative experiments demonstrate the superiority of LAN, outperforming 9 state-of-the-art baselines by at least 9.92% and 6.35% in AUC for real-time ITD on CERT r4.2 and r5.2, respectively. Moreover, LAN can be also applied to post-hoc ITD, surpassing 8 competitive baselines by at least 7.70% and 4.03% in AUC on two datasets. Finally, the ablation study, parameter analysis, and compatibility analysis evaluate the impact of each module and hyper-parameter in LAN. The source code can be obtained from https://github.com/Li1Neo/LAN.

Humans intuitively perceive object shape and orientation from a single image, guided by strong priors about canonical poses. However, existing 3D generative models often produce misaligned results due to inconsistent training data, limiting their usability in downstream tasks. To address this gap, we introduce the task of orientation-aligned 3D object generation: producing 3D objects from single images with consistent orientations across categories. To facilitate this, we construct Objaverse-OA, a dataset of 14,832 orientation-aligned 3D models spanning 1,008 categories. Leveraging Objaverse-OA, we fine-tune two representative 3D generative models based on multi-view diffusion and 3D variational autoencoder frameworks to produce aligned objects that generalize well to unseen objects across various categories. Experimental results demonstrate the superiority of our method over post-hoc alignment approaches. Furthermore, we showcase downstream applications enabled by our aligned object generation, including zero-shot object orientation estimation via analysis-by-synthesis and efficient arrow-based object rotation manipulation.

Integrating heterogeneous biomedical data including imaging, omics, and clinical records supports accurate diagnosis and personalised care. Graph-based models fuse such non-Euclidean data by capturing spatial and relational structure, yet clinical uptake requires regulator-ready interpretability. We present the first technical survey of interpretable graph based models for multimodal biomedical data, covering 26 studies published between Jan 2019 and Sep 2024. Most target disease classification, notably cancer and rely on static graphs from simple similarity measures, while graph-native explainers are rare; post-hoc methods adapted from non-graph domains such as gradient saliency, and SHAP predominate. We group existing approaches into four interpretability families, outline trends such as graph-in-graph hierarchies, knowledge-graph edges, and dynamic topology learning, and perform a practical benchmark. Using an Alzheimer disease cohort, we compare Sensitivity Analysis, Gradient Saliency, SHAP and Graph Masking. SHAP and Sensitivity Analysis recover the broadest set of known AD pathways and Gene-Ontology terms, whereas Gradient Saliency and Graph Masking surface complementary metabolic and transport signatures. Permutation tests show all four beat random gene sets, but with distinct trade-offs: SHAP and Graph Masking offer deeper biology at higher compute cost, while Gradient Saliency and Sensitivity Analysis are quicker though coarser. We also provide a step-by-step flowchart covering graph construction, explainer choice and resource budgeting to help researchers balance transparency and performance. This review synthesises the state of interpretable graph learning for multimodal medicine, benchmarks leading techniques, and charts future directions, from advanced XAI tools to under-studied diseases, serving as a concise reference for method developers and translational scientists.

Language models (LMs) hallucinate. We inquire: Can we detect and mitigate hallucinations before they happen? This work answers this research question in the positive, by showing that the internal representations of LMs provide rich signals that can be used for this purpose. We introduce FactCheckMate, which preemptively detects hallucinations by learning a classifier that predicts whether the LM will hallucinate, based on the model's hidden states produced over the inputs, before decoding begins. If a hallucination is detected, FactCheckMate then intervenes, by adjusting the LM's hidden states such that the model will produce more factual outputs. FactCheckMate provides fresh insights that the inner workings of LMs can be revealed by their hidden states. Practically, both the detection and mitigation models in FactCheckMate are lightweight, adding little inference overhead; FactCheckMate proves a more efficient approach for mitigating hallucinations compared to many post-hoc alternatives. We evaluate FactCheckMate over LMs of different scales and model families (including Llama, Mistral, and Gemma), across a variety of QA datasets from different domains. Our results demonstrate the effectiveness of leveraging internal representations for early hallucination detection and mitigation, achieving over 70% preemptive detection accuracy. On average, outputs generated by LMs with intervention are 34.4% more factual compared to those without intervention. The average overhead difference in the inference time introduced by FactCheckMate is around 3.16 seconds.

The increasing success of deep neural networks has raised concerns about their inherent black-box nature, posing challenges related to interpretability and trust. While there has been extensive exploration of interpretation techniques in vision and language, interpretability in the audio domain has received limited attention, primarily focusing on post-hoc explanations. This paper addresses the problem of interpretability by-design in the audio domain by utilizing the recently proposed attention-free focal modulation networks (FocalNets). We apply FocalNets to the task of environmental sound classification for the first time and evaluate their interpretability properties on the popular ESC-50 dataset. Our method outperforms a similarly sized vision transformer both in terms of accuracy and interpretability. Furthermore, it is competitive against PIQ, a method specifically designed for post-hoc interpretation in the audio domain.

The growing complexity of machine learning and deep learning models has led to an increased reliance on opaque "black box" systems, making it difficult to understand the rationale behind predictions. This lack of transparency is particularly challenging in high-stakes applications where interpretability is as important as accuracy. Post-hoc explanation methods are commonly used to interpret these models, but they are seldom rigorously evaluated, raising concerns about their reliability. The Python package xai_evals addresses this by providing a comprehensive framework for generating, benchmarking, and evaluating explanation methods across both tabular and image data modalities. It integrates popular techniques like SHAP, LIME, Grad-CAM, Integrated Gradients (IG), and Backtrace, while supporting evaluation metrics such as faithfulness, sensitivity, and robustness. xai_evals enhances the interpretability of machine learning models, fostering transparency and trust in AI systems. The library is open-sourced at https://pypi.org/project/xai-evals/ .

Large Language Models (LLMs) have demonstrated remarkable capabilities in performing complex tasks. Moreover, recent research has shown that incorporating human-annotated rationales (e.g., Chain-of-Thought prompting) during in-context learning can significantly enhance the performance of these models, particularly on tasks that require reasoning capabilities. However, incorporating such rationales poses challenges in terms of scalability as this requires a high degree of human involvement. In this work, we present a novel framework, Amplifying Model Performance by Leveraging In-Context Learning with Post Hoc Explanations (AMPLIFY), which addresses the aforementioned challenges by automating the process of rationale generation. To this end, we leverage post hoc explanation methods which output attribution scores (explanations) capturing the influence of each of the input features on model predictions. More specifically, we construct automated natural language rationales that embed insights from post hoc explanations to provide corrective signals to LLMs. Extensive experimentation with real-world datasets demonstrates that our framework, AMPLIFY, leads to prediction accuracy improvements of about 10-25% over a wide range of tasks, including those where prior approaches which rely on human-annotated rationales such as Chain-of-Thought prompting fall short. Our work makes one of the first attempts at highlighting the potential of post hoc explanations as valuable tools for enhancing the effectiveness of LLMs. Furthermore, we conduct additional empirical analyses and ablation studies to demonstrate the impact of each of the components of AMPLIFY, which, in turn, leads to critical insights for refining in-context learning.

A critical problem in the field of post hoc explainability is the lack of a common foundational goal among methods. For example, some methods are motivated by function approximation, some by game theoretic notions, and some by obtaining clean visualizations. This fragmentation of goals causes not only an inconsistent conceptual understanding of explanations but also the practical challenge of not knowing which method to use when. In this work, we begin to address these challenges by unifying eight popular post hoc explanation methods (LIME, C-LIME, KernelSHAP, Occlusion, Vanilla Gradients, Gradients x Input, SmoothGrad, and Integrated Gradients). We show that these methods all perform local function approximation of the black-box model, differing only in the neighbourhood and loss function used to perform the approximation. This unification enables us to (1) state a no free lunch theorem for explanation methods, demonstrating that no method can perform optimally across all neighbourhoods, and (2) provide a guiding principle to choose among methods based on faithfulness to the black-box model. We empirically validate these theoretical results using various real-world datasets, model classes, and prediction tasks. By bringing diverse explanation methods into a common framework, this work (1) advances the conceptual understanding of these methods, revealing their shared local function approximation objective, properties, and relation to one another, and (2) guides the use of these methods in practice, providing a principled approach to choose among methods and paving the way for the creation of new ones.

Large language models (LLMs) have attracted huge interest in practical applications given their increasingly accurate responses and coherent reasoning abilities. Given their nature as black-boxes using complex reasoning processes on their inputs, it is inevitable that the demand for scalable and faithful explanations for LLMs' generated content will continue to grow. There have been major developments in the explainability of neural network models over the past decade. Among them, post-hoc explainability methods, especially Shapley values, have proven effective for interpreting deep learning models. However, there are major challenges in scaling up Shapley values for LLMs, particularly when dealing with long input contexts containing thousands of tokens and autoregressively generated output sequences. Furthermore, it is often unclear how to effectively utilize generated explanations to improve the performance of LLMs. In this paper, we introduce TextGenSHAP, an efficient post-hoc explanation method incorporating LM-specific techniques. We demonstrate that this leads to significant increases in speed compared to conventional Shapley value computations, reducing processing times from hours to minutes for token-level explanations, and to just seconds for document-level explanations. In addition, we demonstrate how real-time Shapley values can be utilized in two important scenarios, providing better understanding of long-document question answering by localizing important words and sentences; and improving existing document retrieval systems through enhancing the accuracy of selected passages and ultimately the final responses.

While Transformers have rapidly gained popularity in various computer vision applications, post-hoc explanations of their internal mechanisms remain largely unexplored. Vision Transformers extract visual information by representing image regions as transformed tokens and integrating them via attention weights. However, existing post-hoc explanation methods merely consider these attention weights, neglecting crucial information from the transformed tokens, which fails to accurately illustrate the rationales behind the models' predictions. To incorporate the influence of token transformation into interpretation, we propose TokenTM, a novel post-hoc explanation method that utilizes our introduced measurement of token transformation effects. Specifically, we quantify token transformation effects by measuring changes in token lengths and correlations in their directions pre- and post-transformation. Moreover, we develop initialization and aggregation rules to integrate both attention weights and token transformation effects across all layers, capturing holistic token contributions throughout the model. Experimental results on segmentation and perturbation tests demonstrate the superiority of our proposed TokenTM compared to state-of-the-art Vision Transformer explanation methods.

Large Language Models (LLMs) are increasingly used as powerful tools for a plethora of natural language processing (NLP) applications. A recent innovation, in-context learning (ICL), enables LLMs to learn new tasks by supplying a few examples in the prompt during inference time, thereby eliminating the need for model fine-tuning. While LLMs have been utilized in several applications, their applicability in explaining the behavior of other models remains relatively unexplored. Despite the growing number of new explanation techniques, many require white-box access to the model and/or are computationally expensive, highlighting a need for next-generation post hoc explainers. In this work, we present the first framework to study the effectiveness of LLMs in explaining other predictive models. More specifically, we propose a novel framework encompassing multiple prompting strategies: i) Perturbation-based ICL, ii) Prediction-based ICL, iii) Instruction-based ICL, and iv) Explanation-based ICL, with varying levels of information about the underlying ML model and the local neighborhood of the test sample. We conduct extensive experiments with real-world benchmark datasets to demonstrate that LLM-generated explanations perform on par with state-of-the-art post hoc explainers using their ability to leverage ICL examples and their internal knowledge in generating model explanations. On average, across four datasets and two ML models, we observe that LLMs identify the most important feature with 72.19% accuracy, opening up new frontiers in explainable artificial intelligence (XAI) to explore LLM-based explanation frameworks.

Large language models (LLMs) frequently produce false refusals, declining benign requests that contain terms resembling unsafe queries. We address this challenge by introducing two comprehensive benchmarks: the Exaggerated Safety Benchmark (XSB) for single-turn prompts, annotated with "Focus" keywords that identify refusal-inducing triggers, and the Multi-turn Scenario-based Exaggerated Safety Benchmark (MS-XSB), which systematically evaluates refusal calibration in realistic, context-rich dialog settings. Our benchmarks reveal that exaggerated refusals persist across diverse recent LLMs and are especially pronounced in complex, multi-turn scenarios. To mitigate these failures, we leverage post-hoc explanation methods to identify refusal triggers and deploy three lightweight, model-agnostic approaches, ignore-word instructions, prompt rephrasing, and attention steering, at inference time, all without retraining or parameter access. Experiments on four instruction-tuned Llama models demonstrate that these strategies substantially improve compliance on safe prompts while maintaining robust safety protections. Our findings establish a reproducible framework for diagnosing and mitigating exaggerated refusals, highlighting practical pathways to safer and more helpful LLM deployments.

Incorporating natural language rationales in the prompt and In-Context Learning (ICL) has led to a significant improvement of Large Language Models (LLMs) performance. However, rationales currently require human-annotation or the use of auxiliary proxy models to target promising samples or generate high-quality rationales. In this work, we propose Self-AMPLIFY to generate automatically rationales from post hoc explanation methods applied to Small Language Models (SLMs) to improve their own performance. Self-AMPLIFY is a 3-step method that targets samples, generates rationales and builds a final prompt to leverage ICL. Self-AMPLIFY performance is evaluated on two SLMs and two datasets requiring reasoning abilities: these experiments show that Self-AMPLIFY achieves good results against competitors. Self-AMPLIFY is the first method to apply post hoc explanation methods to SLM to generate rationales to improve their own performance in a fully automated manner.

In the study of trustworthy Natural Language Processing (NLP), a number of important research fields have emerged, including that of explainability and privacy. While research interest in both explainable and privacy-preserving NLP has increased considerably in recent years, there remains a lack of investigation at the intersection of the two. This leaves a considerable gap in understanding of whether achieving both explainability and privacy is possible, or whether the two are at odds with each other. In this work, we conduct an empirical investigation into the privacy-explainability trade-off in the context of NLP, guided by the popular overarching methods of Differential Privacy (DP) and Post-hoc Explainability. Our findings include a view into the intricate relationship between privacy and explainability, which is formed by a number of factors, including the nature of the downstream task and choice of the text privatization and explainability method. In this, we highlight the potential for privacy and explainability to co-exist, and we summarize our findings in a collection of practical recommendations for future work at this important intersection.

Deep neural networks are very successful on many vision tasks, but hard to interpret due to their black box nature. To overcome this, various post-hoc attribution methods have been proposed to identify image regions most influential to the models' decisions. Evaluating such methods is challenging since no ground truth attributions exist. We thus propose three novel evaluation schemes to more reliably measure the faithfulness of those methods, to make comparisons between them more fair, and to make visual inspection more systematic. To address faithfulness, we propose a novel evaluation setting (DiFull) in which we carefully control which parts of the input can influence the output in order to distinguish possible from impossible attributions. To address fairness, we note that different methods are applied at different layers, which skews any comparison, and so evaluate all methods on the same layers (ML-Att) and discuss how this impacts their performance on quantitative metrics. For more systematic visualizations, we propose a scheme (AggAtt) to qualitatively evaluate the methods on complete datasets. We use these evaluation schemes to study strengths and shortcomings of some widely used attribution methods over a wide range of models. Finally, we propose a post-processing smoothing step that significantly improves the performance of some attribution methods, and discuss its applicability.

Deep neural networks are very successful on many vision tasks, but hard to interpret due to their black box nature. To overcome this, various post-hoc attribution methods have been proposed to identify image regions most influential to the models' decisions. Evaluating such methods is challenging since no ground truth attributions exist. We thus propose three novel evaluation schemes to more reliably measure the faithfulness of those methods, to make comparisons between them more fair, and to make visual inspection more systematic. To address faithfulness, we propose a novel evaluation setting (DiFull) in which we carefully control which parts of the input can influence the output in order to distinguish possible from impossible attributions. To address fairness, we note that different methods are applied at different layers, which skews any comparison, and so evaluate all methods on the same layers (ML-Att) and discuss how this impacts their performance on quantitative metrics. For more systematic visualizations, we propose a scheme (AggAtt) to qualitatively evaluate the methods on complete datasets. We use these evaluation schemes to study strengths and shortcomings of some widely used attribution methods. Finally, we propose a post-processing smoothing step that significantly improves the performance of some attribution methods, and discuss its applicability.

Post-hoc explanation methods have often been criticised for abstracting away the decision-making process of deep neural networks. In this work, we would like to provide natural language descriptions for what different layers of a vision backbone have learned. Our DeViL method decodes vision features into language, not only highlighting the attribution locations but also generating textual descriptions of visual features at different layers of the network. We train a transformer network to translate individual image features of any vision layer into a prompt that a separate off-the-shelf language model decodes into natural language. By employing dropout both per-layer and per-spatial-location, our model can generalize training on image-text pairs to generate localized explanations. As it uses a pre-trained language model, our approach is fast to train, can be applied to any vision backbone, and produces textual descriptions at different layers of the vision network. Moreover, DeViL can create open-vocabulary attribution maps corresponding to words or phrases even outside the training scope of the vision model. We demonstrate that DeViL generates textual descriptions relevant to the image content on CC3M surpassing previous lightweight captioning models and attribution maps uncovering the learned concepts of the vision backbone. Finally, we show DeViL also outperforms the current state-of-the-art on the neuron-wise descriptions of the MILANNOTATIONS dataset. Code available at https://github.com/ExplainableML/DeViL

As large language models (LLMs) are increasingly deployed in high-stakes settings, the risk of generating harmful or toxic content remains a central challenge. Post-hoc alignment methods are brittle: once unsafe patterns are learned during pretraining, they are hard to remove. We present a data-centric pretraining framework that builds safety into the model from the start. Our contributions include: (i) a safety classifier trained on 10,000 GPT-4 labeled examples, used to filter 600B tokens; (ii) the largest synthetic safety dataset to date (100B tokens) generated via recontextualization of harmful web data; (iii) RefuseWeb and Moral Education datasets that convert harmful prompts into refusal dialogues and web-style educational material; (iv) Harmfulness-Tag annotations injected during pretraining to flag unsafe content and steer away inference from harmful generations; and (v) safety evaluations measuring base model behavior before instruction tuning. Our safety-pretrained models reduce attack success rates from 38.8% to 8.4% with no performance degradation on standard LLM safety benchmarks.

We present a framework where neural models develop an AI Mother Tongue, a native symbolic language that simultaneously supports intuitive reasoning, compositional symbol chains, and inherent interpretability. Unlike post-hoc explanation methods, our approach embeds reasoning directly into the model's representations: symbols capture meaningful semantic patterns, chains trace decision paths, and gated induction mechanisms guide selective focus, yielding transparent yet flexible reasoning. We introduce complementary training objectives to enhance symbol purity and decision sparsity, and employ a sequential specialization strategy to first build broad symbolic competence and then refine intuitive judgments. Experiments on AI tasks demonstrate competitive accuracy alongside verifiable reasoning traces, showing that AI Mother Tongue can serve as a unified mechanism for interpretability, intuition, and symbolic reasoning in neural models.

The differential diagnosis of neurodegenerative dementias is a challenging clinical task, mainly because of the overlap in symptom presentation and the similarity of patterns observed in structural neuroimaging. To improve diagnostic efficiency and accuracy, deep learning-based methods such as Convolutional Neural Networks and Vision Transformers have been proposed for the automatic classification of brain MRIs. However, despite their strong predictive performance, these models find limited clinical utility due to their opaque decision making. In this work, we propose a framework that integrates two core components to enhance diagnostic transparency. First, we introduce a modular pipeline for converting 3D T1-weighted brain MRIs into textual radiology reports. Second, we explore the potential of modern Large Language Models (LLMs) to assist clinicians in the differential diagnosis between Frontotemporal dementia subtypes, Alzheimer's disease, and normal aging based on the generated reports. To bridge the gap between predictive accuracy and explainability, we employ reinforcement learning to incentivize diagnostic reasoning in LLMs. Without requiring supervised reasoning traces or distillation from larger models, our approach enables the emergence of structured diagnostic rationales grounded in neuroimaging findings. Unlike post-hoc explainability methods that retrospectively justify model decisions, our framework generates diagnostic rationales as part of the inference process-producing causally grounded explanations that inform and guide the model's decision-making process. In doing so, our framework matches the diagnostic performance of existing deep learning methods while offering rationales that support its diagnostic conclusions.

Saliency post-hoc explainability methods are important tools for understanding increasingly complex NLP models. While these methods can reflect the model's reasoning, they may not align with human intuition, making the explanations not plausible. In this work, we present a methodology for incorporating rationales, which are text annotations explaining human decisions, into text classification models. This incorporation enhances the plausibility of post-hoc explanations while preserving their faithfulness. Our approach is agnostic to model architectures and explainability methods. We introduce the rationales during model training by augmenting the standard cross-entropy loss with a novel loss function inspired by contrastive learning. By leveraging a multi-objective optimization algorithm, we explore the trade-off between the two loss functions and generate a Pareto-optimal frontier of models that balance performance and plausibility. Through extensive experiments involving diverse models, datasets, and explainability methods, we demonstrate that our approach significantly enhances the quality of model explanations without causing substantial (sometimes negligible) degradation in the original model's performance.

Question Answering (QA) systems are increasingly deployed in applications where they support real-world decisions. However, state-of-the-art models rely on deep neural networks, which are difficult to interpret by humans. Inherently interpretable models or post hoc explainability methods can help users to comprehend how a model arrives at its prediction and, if successful, increase their trust in the system. Furthermore, researchers can leverage these insights to develop new methods that are more accurate and less biased. In this paper, we introduce SQuARE v2, the new version of SQuARE, to provide an explainability infrastructure for comparing models based on methods such as saliency maps and graph-based explanations. While saliency maps are useful to inspect the importance of each input token for the model's prediction, graph-based explanations from external Knowledge Graphs enable the users to verify the reasoning behind the model prediction. In addition, we provide multiple adversarial attacks to compare the robustness of QA models. With these explainability methods and adversarial attacks, we aim to ease the research on trustworthy QA models. SQuARE is available on https://square.ukp-lab.de.

We introduce SynthID-Image, a deep learning-based system for invisibly watermarking AI-generated imagery. This paper documents the technical desiderata, threat models, and practical challenges of deploying such a system at internet scale, addressing key requirements of effectiveness, fidelity, robustness, and security. SynthID-Image has been used to watermark over ten billion images and video frames across Google's services and its corresponding verification service is available to trusted testers. For completeness, we present an experimental evaluation of an external model variant, SynthID-O, which is available through partnerships. We benchmark SynthID-O against other post-hoc watermarking methods from the literature, demonstrating state-of-the-art performance in both visual quality and robustness to common image perturbations. While this work centers on visual media, the conclusions on deployment, constraints, and threat modeling generalize to other modalities, including audio. This paper provides a comprehensive documentation for the large-scale deployment of deep learning-based media provenance systems.

With the remarkable generation performance of large language models, ethical and legal concerns about using them have been raised, such as plagiarism and copyright issues. For such concerns, several approaches to watermark and detect LLM-generated text have been proposed very recently. However, we discover that the previous methods fail to function appropriately with code generation tasks because of the syntactic and semantic characteristics of code. Based on Kirchenbauer2023watermark, we propose a new watermarking method, Selective WatErmarking via Entropy Thresholding (SWEET), that promotes "green" tokens only at the position with high entropy of the token distribution during generation, thereby preserving the correctness of the generated code. The watermarked code is detected by the statistical test and Z-score based on the entropy information. Our experiments on HumanEval and MBPP show that SWEET significantly improves the Pareto Frontier between the code correctness and watermark detection performance. We also show that notable post-hoc detection methods (e.g. DetectGPT) fail to work well in this task. Finally, we show that setting a reasonable entropy threshold is not much of a challenge. Code is available at https://github.com/hongcheki/sweet-watermark.

Background and Objective: Radiation pneumonitis (RP) is a side effect of thoracic radiation therapy. Recently, Machine learning (ML) models enhanced with radiomic and dosiomic features provide better predictions by incorporating spatial information beyond DVHs. However, to improve the clinical decision process, we propose to use uncertainty quantification (UQ) to improve the confidence in model prediction. This study evaluates the impact of post hoc UQ methods on the discriminative performance and calibration of ML models for RP prediction. Methods: This study evaluated four ML models: logistic regression (LR), support vector machines (SVM), extreme gradient boosting (XGB), and random forest (RF), using radiomic, dosiomic, and dosimetric features to predict RP. We applied UQ methods, including Patt scaling, isotonic regression, Venn-ABERS predictor, and Conformal Prediction, to quantify uncertainty. Model performance was assessed through Area Under the Receiver Operating Characteristic curve (AUROC), Area Under the Precision-Recall Curve (AUPRC), and Adaptive Calibration Error (ACE) using Leave-One-Out Cross-Validation (LOO-CV). Results: UQ methods enhanced predictive performance, particularly for high-certainty predictions, while also improving calibration. Radiomic and dosiomic features increased model accuracy but introduced calibration challenges, especially for non-linear models like XGB and RF. Performance gains from UQ methods were most noticeable at higher certainty thresholds. Conclusion: Integrating UQ into ML models with radiomic and dosiomic features improves both predictive accuracy and calibration, supporting more reliable clinical decision-making. The findings emphasize the value of UQ methods in enhancing applicability of predictive models for RP in healthcare settings.

Reliable usage of object detectors require them to be calibrated -- a crucial problem that requires careful attention. Recent approaches towards this involve (1) designing new loss functions to obtain calibrated detectors by training them from scratch, and (2) post-hoc Temperature Scaling (TS) that learns to scale the likelihood of a trained detector to output calibrated predictions. These approaches are then evaluated based on a combination of Detection Expected Calibration Error (D-ECE) and Average Precision. In this work, via extensive analysis and insights, we highlight that these recent evaluation frameworks, evaluation metrics, and the use of TS have notable drawbacks leading to incorrect conclusions. As a step towards fixing these issues, we propose a principled evaluation framework to jointly measure calibration and accuracy of object detectors. We also tailor efficient and easy-to-use post-hoc calibration approaches such as Platt Scaling and Isotonic Regression specifically for object detection task. Contrary to the common notion, our experiments show that once designed and evaluated properly, post-hoc calibrators, which are extremely cheap to build and use, are much more powerful and effective than the recent train-time calibration methods. To illustrate, D-DETR with our post-hoc Isotonic Regression calibrator outperforms the recent train-time state-of-the-art calibration method Cal-DETR by more than 7 D-ECE on the COCO dataset. Additionally, we propose improved versions of the recently proposed Localization-aware ECE and show the efficacy of our method on these metrics as well. Code is available at: https://github.com/fiveai/detection_calibration.

Prototype-based methods use interpretable representations to address the black-box nature of deep learning models, in contrast to post-hoc explanation methods that only approximate such models. We propose the Neural Prototype Tree (ProtoTree), an intrinsically interpretable deep learning method for fine-grained image recognition. ProtoTree combines prototype learning with decision trees, and thus results in a globally interpretable model by design. Additionally, ProtoTree can locally explain a single prediction by outlining a decision path through the tree. Each node in our binary tree contains a trainable prototypical part. The presence or absence of this learned prototype in an image determines the routing through a node. Decision making is therefore similar to human reasoning: Does the bird have a red throat? And an elongated beak? Then it's a hummingbird! We tune the accuracy-interpretability trade-off using ensemble methods, pruning and binarizing. We apply pruning without sacrificing accuracy, resulting in a small tree with only 8 learned prototypes along a path to classify a bird from 200 species. An ensemble of 5 ProtoTrees achieves competitive accuracy on the CUB-200- 2011 and Stanford Cars data sets. Code is available at https://github.com/M-Nauta/ProtoTree

Despite their impressive predictive performance in various computer vision tasks, deep neural networks (DNNs) tend to make overly confident predictions, which hinders their widespread use in safety-critical applications. While there have been recent attempts to calibrate DNNs, most of these efforts have primarily been focused on classification tasks, thus neglecting DNN-based object detectors. Although several recent works addressed calibration for object detection and proposed differentiable penalties, none of them are consistent estimators of established concepts in calibration. In this work, we tackle the challenge of defining and estimating calibration error specifically for this task. In particular, we adapt the definition of classification calibration error to handle the nuances associated with object detection, and predictions in structured output spaces more generally. Furthermore, we propose a consistent and differentiable estimator of the detection calibration error, utilizing kernel density estimation. Our experiments demonstrate the effectiveness of our estimator against competing train-time and post-hoc calibration methods, while maintaining similar detection performance.

Deep neural networks have demonstrated remarkable performance across numerous learning tasks but often suffer from miscalibration, resulting in unreliable probability outputs. This has inspired many recent works on mitigating miscalibration, particularly through post-hoc recalibration methods that aim to obtain calibrated probabilities without sacrificing the classification performance of pre-trained models. In this study, we summarize and categorize previous works into three general strategies: intuitively designed methods, binning-based methods, and methods based on formulations of ideal calibration. Through theoretical and practical analysis, we highlight ten common limitations in previous approaches. To address these limitations, we propose a probabilistic learning framework for calibration called h-calibration, which theoretically constructs an equivalent learning formulation for canonical calibration with boundedness. On this basis, we design a simple yet effective post-hoc calibration algorithm. Our method not only overcomes the ten identified limitations but also achieves markedly better performance than traditional methods, as validated by extensive experiments. We further analyze, both theoretically and experimentally, the relationship and advantages of our learning objective compared to traditional proper scoring rule. In summary, our probabilistic framework derives an approximately equivalent differentiable objective for learning error-bounded calibrated probabilities, elucidating the correspondence and convergence properties of computational statistics with respect to theoretical bounds in canonical calibration. The theoretical effectiveness is verified on standard post-hoc calibration benchmarks by achieving state-of-the-art performance. This research offers valuable reference for learning reliable likelihood in related fields.

Given the importance of getting calibrated predictions and reliable uncertainty estimations, various post-hoc calibration methods have been developed for neural networks on standard multi-class classification tasks. However, these methods are not well suited for calibrating graph neural networks (GNNs), which presents unique challenges such as accounting for the graph structure and the graph-induced correlations between the nodes. In this work, we conduct a systematic study on the calibration qualities of GNN node predictions. In particular, we identify five factors which influence the calibration of GNNs: general under-confident tendency, diversity of nodewise predictive distributions, distance to training nodes, relative confidence level, and neighborhood similarity. Furthermore, based on the insights from this study, we design a novel calibration method named Graph Attention Temperature Scaling (GATS), which is tailored for calibrating graph neural networks. GATS incorporates designs that address all the identified influential factors and produces nodewise temperature scaling using an attention-based architecture. GATS is accuracy-preserving, data-efficient, and expressive at the same time. Our experiments empirically verify the effectiveness of GATS, demonstrating that it can consistently achieve state-of-the-art calibration results on various graph datasets for different GNN backbones.

Contrastive explanations, where one decision is explained in contrast to another, are supposed to be closer to how humans explain a decision than non-contrastive explanations, where the decision is not necessarily referenced to an alternative. This claim has never been empirically validated. We analyze four English text-classification datasets (SST2, DynaSent, BIOS and DBpedia-Animals). We fine-tune and extract explanations from three different models (RoBERTa, GTP-2, and T5), each in three different sizes and apply three post-hoc explainability methods (LRP, GradientxInput, GradNorm). We furthermore collect and release human rationale annotations for a subset of 100 samples from the BIOS dataset for contrastive and non-contrastive settings. A cross-comparison between model-based rationales and human annotations, both in contrastive and non-contrastive settings, yields a high agreement between the two settings for models as well as for humans. Moreover, model-based explanations computed in both settings align equally well with human rationales. Thus, we empirically find that humans do not necessarily explain in a contrastive manner.9 pages, long paper at ACL 2022 proceedings.

In this study, we examine the efficacy of post-hoc local attribution methods in identifying features with predictive power from irrelevant ones in domains characterized by a low signal-to-noise ratio (SNR), a common scenario in real-world machine learning applications. We developed synthetic datasets encompassing symbolic functional, image, and audio data, incorporating a benchmark on the {\it (Model \(\times\) Attribution\(\times\) Noise Condition)} triplet. By rigorously testing various classic models trained from scratch, we gained valuable insights into the performance of these attribution methods in multiple conditions. Based on these findings, we introduce a novel extension to the notable recursive feature elimination (RFE) algorithm, enhancing its applicability for neural networks. Our experiments highlight its strengths in prediction and feature selection, alongside limitations in scalability. Further details and additional minor findings are included in the appendix, with extensive discussions. The codes and resources are available at https://github.com/geshijoker/ChaosMining/{URL}.

Text-to-image generative models can produce photo-realistic images for an extremely broad range of concepts, and their usage has proliferated widely among the general public. On the flip side, these models have numerous drawbacks, including their potential to generate images featuring sexually explicit content, mirror artistic styles without permission, or even hallucinate (or deepfake) the likenesses of celebrities. Consequently, various methods have been proposed in order to "erase" sensitive concepts from text-to-image models. In this work, we examine five recently proposed concept erasure methods, and show that targeted concepts are not fully excised from any of these methods. Specifically, we leverage the existence of special learned word embeddings that can retrieve "erased" concepts from the sanitized models with no alterations to their weights. Our results highlight the brittleness of post hoc concept erasure methods, and call into question their use in the algorithmic toolkit for AI safety.

Evaluating explanations of image classifiers regarding ground truth, e.g. segmentation masks defined by human perception, primarily evaluates the quality of the models under consideration rather than the explanation methods themselves. Driven by this observation, we propose a framework for jointly evaluating the robustness of safety-critical systems that combine a deep neural network with an explanation method. These are increasingly used in real-world applications like medical image analysis or robotics. We introduce a fine-tuning procedure to (mis)align modelx2013explanation pipelines with ground truth and use it to quantify the potential discrepancy between worst and best-case scenarios of human alignment. Experiments across various model architectures and post-hoc local interpretation methods provide insights into the robustness of vision transformers and the overall vulnerability of such AI systems to potential adversarial attacks.

The ability to detect unfamiliar or unexpected images is essential for safe deployment of computer vision systems. In the context of classification, the task of detecting images outside of a model's training domain is known as out-of-distribution (OOD) detection. While there has been a growing research interest in developing post-hoc OOD detection methods, there has been comparably little discussion around how these methods perform when the underlying classifier is not trained on a clean, carefully curated dataset. In this work, we take a closer look at 20 state-of-the-art OOD detection methods in the (more realistic) scenario where the labels used to train the underlying classifier are unreliable (e.g. crowd-sourced or web-scraped labels). Extensive experiments across different datasets, noise types & levels, architectures and checkpointing strategies provide insights into the effect of class label noise on OOD detection, and show that poor separation between incorrectly classified ID samples vs. OOD samples is an overlooked yet important limitation of existing methods. Code: https://github.com/glhr/ood-labelnoise

In many scenarios, the interpretability of machine learning models is a highly required but difficult task. To explain the individual predictions of such models, local model-agnostic approaches have been proposed. However, the process generating the explanations can be, for a user, as mysterious as the prediction to be explained. Furthermore, interpretability methods frequently lack theoretical guarantees, and their behavior on simple models is frequently unknown. While it is difficult, if not impossible, to ensure that an explainer behaves as expected on a cutting-edge model, we can at least ensure that everything works on simple, already interpretable models. In this paper, we present a theoretical analysis of Anchors (Ribeiro et al., 2018): a popular rule-based interpretability method that highlights a small set of words to explain a text classifier's decision. After formalizing its algorithm and providing useful insights, we demonstrate mathematically that Anchors produces meaningful results when used with linear text classifiers on top of a TF-IDF vectorization. We believe that our analysis framework can aid in the development of new explainability methods based on solid theoretical foundations.

Large Language Models (LLMs) are often trained on vast amounts of undisclosed data, motivating the development of post-hoc Membership Inference Attacks (MIAs) to gain insight into their training data composition. However, in this paper, we identify inherent challenges in post-hoc MIA evaluation due to potential distribution shifts between collected member and non-member datasets. Using a simple bag-of-words classifier, we demonstrate that datasets used in recent post-hoc MIAs suffer from significant distribution shifts, in some cases achieving near-perfect distinction between members and non-members. This implies that previously reported high MIA performance may be largely attributable to these shifts rather than model memorization. We confirm that randomized, controlled setups eliminate such shifts and thus enable the development and fair evaluation of new MIAs. However, we note that such randomized setups are rarely available for the latest LLMs, making post-hoc data collection still required to infer membership for real-world LLMs. As a potential solution, we propose a Regression Discontinuity Design (RDD) approach for post-hoc data collection, which substantially mitigates distribution shifts. Evaluating various MIA methods on this RDD setup yields performance barely above random guessing, in stark contrast to previously reported results. Overall, our findings highlight the challenges in accurately measuring LLM memorization and the need for careful experimental design in (post-hoc) membership inference tasks.

Uncertainty quantification (UQ) is vital for trustworthy deep learning, yet existing methods are either computationally intensive, such as Bayesian or ensemble methods, or provide only partial, task-specific estimates, such as single-forward-pass techniques. In this paper, we propose a post-hoc single-forward-pass framework that jointly captures aleatoric and epistemic uncertainty without modifying or retraining pretrained models. Our method applies Split-Point Analysis (SPA) to decompose predictive residuals into upper and lower subsets, computing Mean Absolute Residuals (MARs) on each side. We prove that, under ideal conditions, the total MAR equals the harmonic mean of subset MARs; deviations define a novel Self-consistency Discrepancy Score (SDS) for fine-grained epistemic estimation across regression and classification. For regression, side-specific quantile regression yields prediction intervals with improved empirical coverage, which are further calibrated via SDS. For classification, when calibration data are available, we apply SPA-based calibration identities to adjust the softmax outputs and then compute predictive entropy on these calibrated probabilities. Extensive experiments on diverse regression and classification benchmarks demonstrate that our framework matches or exceeds several state-of-the-art UQ methods while incurring minimal overhead. Our source code is available at https://github.com/zzz0527/SPC-UQ.

In human-written articles, we often leverage the subtleties of text style, such as bold and italics, to guide the attention of readers. These textual emphases are vital for the readers to grasp the conveyed information. When interacting with large language models (LLMs), we have a similar need - steering the model to pay closer attention to user-specified information, e.g., an instruction. Existing methods, however, are constrained to process plain text and do not support such a mechanism. This motivates us to introduce PASTA - Post-hoc Attention STeering Approach, a method that allows LLMs to read text with user-specified emphasis marks. To this end, PASTA identifies a small subset of attention heads and applies precise attention reweighting on them, directing the model attention to user-specified parts. Like prompting, PASTA is applied at inference time and does not require changing any model parameters. Experiments demonstrate that PASTA can substantially enhance an LLM's ability to follow user instructions or integrate new knowledge from user inputs, leading to a significant performance improvement on a variety of tasks, e.g., an average accuracy improvement of 22% for LLAMA-7B. Our code is publicly available at https://github.com/QingruZhang/PASTA .

The capacity of a modern deep learning system to determine if a sample falls within its realm of knowledge is fundamental and important. In this paper, we offer insights and analyses of recent state-of-the-art out-of-distribution (OOD) detection methods - extremely simple activation shaping (ASH). We demonstrate that activation pruning has a detrimental effect on OOD detection, while activation scaling enhances it. Moreover, we propose SCALE, a simple yet effective post-hoc network enhancement method for OOD detection, which attains state-of-the-art OOD detection performance without compromising in-distribution (ID) accuracy. By integrating scaling concepts into the training process to capture a sample's ID characteristics, we propose Intermediate Tensor SHaping (ISH), a lightweight method for training time OOD detection enhancement. We achieve AUROC scores of +1.85\% for near-OOD and +0.74\% for far-OOD datasets on the OpenOOD v1.5 ImageNet-1K benchmark. Our code and models are available at https://github.com/kai422/SCALE.

Automated machine learning (AutoML) systems commonly ensemble models post hoc to improve predictive performance, typically via greedy ensemble selection (GES). However, we believe that GES may not always be optimal, as it performs a simple deterministic greedy search. In this work, we introduce two novel population-based ensemble selection methods, QO-ES and QDO-ES, and compare them to GES. While QO-ES optimises solely for predictive performance, QDO-ES also considers the diversity of ensembles within the population, maintaining a diverse set of well-performing ensembles during optimisation based on ideas of quality diversity optimisation. The methods are evaluated using 71 classification datasets from the AutoML benchmark, demonstrating that QO-ES and QDO-ES often outrank GES, albeit only statistically significant on validation data. Our results further suggest that diversity can be beneficial for post hoc ensembling but also increases the risk of overfitting.

Hierarchical classification offers an approach to incorporate the concept of mistake severity by leveraging a structured, labeled hierarchy. However, decoding in such settings frequently relies on heuristic decision rules, which may not align with task-specific evaluation metrics. In this work, we propose a framework for the optimal decoding of an output probability distribution with respect to a target metric. We derive optimal decision rules for increasingly complex prediction settings, providing universal algorithms when candidates are limited to the set of nodes. In the most general case of predicting a subset of nodes, we focus on rules dedicated to the hierarchical hF_{beta} scores, tailored to hierarchical settings. To demonstrate the practical utility of our approach, we conduct extensive empirical evaluations, showcasing the superiority of our proposed optimal strategies, particularly in underdetermined scenarios. These results highlight the potential of our methods to enhance the performance and reliability of hierarchical classifiers in real-world applications. The code is available at https://github.com/RomanPlaud/hierarchical_decision_rules

Although large language models (LLMs) achieve effective safety alignment at the time of release, they still face various safety challenges. A key issue is that fine-tuning often compromises the safety alignment of LLMs. To address this issue, we propose a method named IRR (Identify, Remove, and Recalibrate for Safety Realignment) that performs safety realignment for LLMs. The core of IRR is to identify and remove unsafe delta parameters from the fine-tuned models, while recalibrating the retained ones. We evaluate the effectiveness of IRR across various datasets, including both full fine-tuning and LoRA methods. Our results demonstrate that IRR significantly enhances the safety performance of fine-tuned models on safety benchmarks, such as harmful queries and jailbreak attacks, while maintaining their performance on downstream tasks. The source code is available at: https://anonymous.4open.science/r/IRR-BD4F.

Post-hoc gradient-based interpretability methods [Simonyan et al., 2013, Smilkov et al., 2017] that provide instance-specific explanations of model predictions are often based on assumption (A): magnitude of input gradients -- gradients of logits with respect to input -- noisily highlight discriminative task-relevant features. In this work, we test the validity of assumption (A) using a three-pronged approach. First, we develop an evaluation framework, DiffROAR, to test assumption (A) on four image classification benchmarks. Our results suggest that (i) input gradients of standard models (i.e., trained on original data) may grossly violate (A), whereas (ii) input gradients of adversarially robust models satisfy (A). Second, we introduce BlockMNIST, an MNIST-based semi-real dataset, that by design encodes a priori knowledge of discriminative features. Our analysis on BlockMNIST leverages this information to validate as well as characterize differences between input gradient attributions of standard and robust models. Finally, we theoretically prove that our empirical findings hold on a simplified version of the BlockMNIST dataset. Specifically, we prove that input gradients of standard one-hidden-layer MLPs trained on this dataset do not highlight instance-specific signal coordinates, thus grossly violating assumption (A). Our findings motivate the need to formalize and test common assumptions in interpretability in a falsifiable manner [Leavitt and Morcos, 2020]. We believe that the DiffROAR evaluation framework and BlockMNIST-based datasets can serve as sanity checks to audit instance-specific interpretability methods; code and data available at https://github.com/harshays/inputgradients.

Watermarking the outputs of generative models is a crucial technique for tracing copyright and preventing potential harm from AI-generated content. In this paper, we introduce a novel technique called Tree-Ring Watermarking that robustly fingerprints diffusion model outputs. Unlike existing methods that perform post-hoc modifications to images after sampling, Tree-Ring Watermarking subtly influences the entire sampling process, resulting in a model fingerprint that is invisible to humans. The watermark embeds a pattern into the initial noise vector used for sampling. These patterns are structured in Fourier space so that they are invariant to convolutions, crops, dilations, flips, and rotations. After image generation, the watermark signal is detected by inverting the diffusion process to retrieve the noise vector, which is then checked for the embedded signal. We demonstrate that this technique can be easily applied to arbitrary diffusion models, including text-conditioned Stable Diffusion, as a plug-in with negligible loss in FID. Our watermark is semantically hidden in the image space and is far more robust than watermarking alternatives that are currently deployed. Code is available at github.com/YuxinWenRick/tree-ring-watermark.

Large Reasoning Models (LRMs) perform strongly in complex reasoning tasks via Chain-of-Thought (CoT) prompting, but often suffer from verbose outputs caused by redundant content, increasing computational overhead, and degrading user experience. Existing compression methods either operate post-hoc pruning, risking disruption to reasoning coherence, or rely on sampling-based selection, which fails to intervene effectively during generation. In this work, we introduce a confidence-guided perspective to explain the emergence of redundant reflection in LRMs, identifying two key patterns: Confidence Deficit, where the model reconsiders correct steps due to low internal confidence, and Termination Delay, where reasoning continues even after reaching a confident answer. Based on this analysis, we propose ConCISE (Confidence-guided Compression In Step-by-step Efficient Reasoning), a framework that simplifies reasoning chains by reinforcing the model's confidence during inference, thus preventing the generation of redundant reflection steps. It integrates Confidence Injection to stabilize intermediate steps and Early Stopping to terminate reasoning when confidence is sufficient. Extensive experiments demonstrate that fine-tuning LRMs on ConCISE-generated data yields significantly shorter outputs, reducing length by up to approximately 50% under SimPO, while maintaining high task accuracy. ConCISE consistently outperforms existing baselines across multiple reasoning benchmarks.

Visual counterfactual explanation (CF) methods modify image concepts, e.g, shape, to change a prediction to a predefined outcome while closely resembling the original query image. Unlike self-explainable models (SEMs) and heatmap techniques, they grant users the ability to examine hypothetical "what-if" scenarios. Previous CF methods either entail post-hoc training, limiting the balance between transparency and CF quality, or demand optimization during inference. To bridge the gap between transparent SEMs and CF methods, we introduce the GdVAE, a self-explainable model based on a conditional variational autoencoder (CVAE), featuring a Gaussian discriminant analysis (GDA) classifier and integrated CF explanations. Full transparency is achieved through a generative classifier that leverages class-specific prototypes for the downstream task and a closed-form solution for CFs in the latent space. The consistency of CFs is improved by regularizing the latent space with the explainer function. Extensive comparisons with existing approaches affirm the effectiveness of our method in producing high-quality CF explanations while preserving transparency. Code and models are public.

Cross-modal retrieval aims to bridge the semantic gap between different modalities, such as visual and textual data, enabling accurate retrieval across them. Despite significant advancements with models like CLIP that align cross-modal representations, a persistent challenge remains: the hubness problem, where a small subset of samples (hubs) dominate as nearest neighbors, leading to biased representations and degraded retrieval accuracy. Existing methods often mitigate hubness through post-hoc normalization techniques, relying on prior data distributions that may not be practical in real-world scenarios. In this paper, we directly mitigate hubness during training and introduce NeighborRetr, a novel method that effectively balances the learning of hubs and adaptively adjusts the relations of various kinds of neighbors. Our approach not only mitigates the hubness problem but also enhances retrieval performance, achieving state-of-the-art results on multiple cross-modal retrieval benchmarks. Furthermore, NeighborRetr demonstrates robust generalization to new domains with substantial distribution shifts, highlighting its effectiveness in real-world applications. We make our code publicly available at: https://github.com/zzezze/NeighborRetr .

As computer vision continues to advance and finds widespread applications across various domains, the need for interpretability in deep learning models becomes paramount. Existing methods often resort to post-hoc techniques or prototypes to explain the decision-making process, which can be indirect and lack intrinsic illustration. In this research, we introduce ViTree, a novel approach for fine-grained visual categorization that combines the popular vision transformer as a feature extraction backbone with neural decision trees. By traversing the tree paths, ViTree effectively selects patches from transformer-processed features to highlight informative local regions, thereby refining representations in a step-wise manner. Unlike previous tree-based models that rely on soft distributions or ensembles of paths, ViTree selects a single tree path, offering a clearer and simpler decision-making process. This patch and path selectivity enhances model interpretability of ViTree, enabling better insights into the model's inner workings. Remarkably, extensive experimentation validates that this streamlined approach surpasses various strong competitors and achieves state-of-the-art performance while maintaining exceptional interpretability which is proved by multi-perspective methods. Code can be found at https://github.com/SJTU-DeepVisionLab/ViTree.

Visual artifacts remain a persistent challenge in diffusion models, even with training on massive datasets. Current solutions primarily rely on supervised detectors, yet lack understanding of why these artifacts occur in the first place. In our analysis, we identify three distinct phases in the diffusion generative process: Profiling, Mutation, and Refinement. Artifacts typically emerge during the Mutation phase, where certain regions exhibit anomalous score dynamics over time, causing abrupt disruptions in the normal evolution pattern. This temporal nature explains why existing methods focusing only on spatial uncertainty of the final output fail at effective artifact localization. Based on these insights, we propose ASCED (Abnormal Score Correction for Enhancing Diffusion), that detects artifacts by monitoring abnormal score dynamics during the diffusion process, with a trajectory-aware on-the-fly mitigation strategy that appropriate generation of noise in the detected areas. Unlike most existing methods that apply post hoc corrections, \eg, by applying a noising-denoising scheme after generation, our mitigation strategy operates seamlessly within the existing diffusion process. Extensive experiments demonstrate that our proposed approach effectively reduces artifacts across diverse domains, matching or surpassing existing supervised methods without additional training.

In Text-to-SQL, execution feedback is essential for guiding large language models (LLMs) to reason accurately and generate reliable SQL queries. However, existing methods treat execution feedback solely as a post-hoc signal for correction or selection, failing to integrate it into the generation process. This limitation hinders their ability to address reasoning errors as they occur, ultimately reducing query accuracy and robustness. To address this issue, we propose ReEx-SQL (Reasoning with Execution-Aware Reinforcement Learning), a framework for Text-to-SQL that enables models to interact with the database during decoding and dynamically adjust their reasoning based on execution feedback. ReEx-SQL introduces an execution-aware reasoning paradigm that interleaves intermediate SQL execution into reasoning paths, facilitating context-sensitive revisions. It achieves this through structured prompts with markup tags and a stepwise rollout strategy that integrates execution feedback into each stage of generation. To supervise policy learning, we develop a composite reward function that includes an exploration reward, explicitly encouraging effective database interaction. Additionally, ReEx-SQL adopts a tree-based decoding strategy to support exploratory reasoning, enabling dynamic expansion of alternative reasoning paths. Notably, ReEx-SQL achieves 88.8% on Spider and 64.9% on BIRD at the 7B scale, surpassing the standard reasoning baseline by 2.7% and 2.6%, respectively. It also shows robustness, achieving 85.2% on Spider-Realistic with leading performance. In addition, its tree-structured decoding improves efficiency and performance over linear decoding, reducing inference time by 51.9% on the BIRD development set.

Text-to-speech (TTS) synthesis has seen renewed progress under the discrete modeling paradigm. Existing autoregressive approaches often rely on single-codebook representations, which suffer from significant information loss. Even with post-hoc refinement techniques such as flow matching, these methods fail to recover fine-grained details (e.g., prosodic nuances, speaker-specific timbres), especially in challenging scenarios like singing voice or music synthesis. We propose QTTS, a novel TTS framework built upon our new audio codec, QDAC. The core innovation of QDAC lies in its end-to-end training of an ASR-based auto-regressive network with a GAN, which achieves superior semantic feature disentanglement for scalable, near-lossless compression. QTTS models these discrete codes using two innovative strategies: the Hierarchical Parallel architecture, which uses a dual-AR structure to model inter-codebook dependencies for higher-quality synthesis, and the Delay Multihead approach, which employs parallelized prediction with a fixed delay to accelerate inference speed. Our experiments demonstrate that the proposed framework achieves higher synthesis quality and better preserves expressive content compared to baseline. This suggests that scaling up compression via multi-codebook modeling is a promising direction for high-fidelity, general-purpose speech and audio generation.

Recent large language models (LLMs) achieve impressive performance in source-conditioned text generation but often fail to correctly provide fine-grained attributions for their outputs, undermining verifiability and trust. Moreover, existing attribution methods do not explain how and why models leverage the provided source documents to generate their final responses, limiting interpretability. To overcome these challenges, we introduce a modular generation framework, GenerationPrograms, inspired by recent advancements in executable "code agent" architectures. Unlike conventional generation methods that simultaneously generate outputs and attributions or rely on post-hoc attribution, GenerationPrograms decomposes the process into two distinct stages: first, creating an executable program plan composed of modular text operations (such as paraphrasing, compression, and fusion) explicitly tailored to the query, and second, executing these operations following the program's specified instructions to produce the final response. Empirical evaluations demonstrate that GenerationPrograms significantly improves attribution quality at both the document level and sentence level across two long-form question-answering tasks and a multi-document summarization task. We further demonstrate that GenerationPrograms can effectively function as a post-hoc attribution method, outperforming traditional techniques in recovering accurate attributions. In addition, the interpretable programs generated by GenerationPrograms enable localized refinement through modular-level improvements that further enhance overall attribution quality.

Quantifying the causal influence of input features within neural networks has become a topic of increasing interest. Existing approaches typically assess direct, indirect, and total causal effects. This work treats NNs as structural causal models (SCMs) and extends our focus to include intrinsic causal contributions (ICC). We propose an identifiable generative post-hoc framework for quantifying ICC. We also draw a relationship between ICC and Sobol' indices. Our experiments on synthetic and real-world datasets demonstrate that ICC generates more intuitive and reliable explanations compared to existing global explanation techniques.

Model calibration aims to align confidence with prediction correctness. The Cross-Entropy (CE) loss is widely used for calibrator training, which enforces the model to increase confidence on the ground truth class. However, we find the CE loss has intrinsic limitations. For example, for a narrow misclassification, a calibrator trained by the CE loss often produces high confidence on the wrongly predicted class (e.g., a test sample is wrongly classified and its softmax score on the ground truth class is around 0.4), which is undesirable. In this paper, we propose a new post-hoc calibration objective derived from the aim of calibration. Intuitively, the proposed objective function asks that the calibrator decrease model confidence on wrongly predicted samples and increase confidence on correctly predicted samples. Because a sample itself has insufficient ability to indicate correctness, we use its transformed versions (e.g., rotated, greyscaled and color-jittered) during calibrator training. Trained on an in-distribution validation set and tested with isolated, individual test samples, our method achieves competitive calibration performance on both in-distribution and out-of-distribution test sets compared with the state of the art. Further, our analysis points out the difference between our method and commonly used objectives such as CE loss and mean square error loss, where the latters sometimes deviates from the calibration aim.

Transformer language models are state of the art in a multitude of NLP tasks. Despite these successes, their opaqueness remains problematic. Recent methods aiming to provide interpretability and explainability to black-box models primarily focus on post-hoc explanations of (sometimes spurious) input-output correlations. Instead, we emphasize using prototype networks directly incorporated into the model architecture and hence explain the reasoning process behind the network's decisions. Our architecture performs on par with several language models and, moreover, enables learning from user interactions. This not only offers a better understanding of language models but uses human capabilities to incorporate knowledge outside of the rigid range of purely data-driven approaches.

We prove under practical assumptions that Rotary Positional Embedding (RoPE) introduces an intrinsic distance-dependent bias in attention scores that limits RoPE's ability to model long-context. RoPE extension methods may alleviate this issue, but they typically require post-hoc adjustments after pretraining, such as rescaling or hyperparameters retuning. This paper introduces Token-Aware Phase Attention (TAPA), a new positional encoding method that incorporates a learnable phase function into the attention mechanism. TAPA preserves token interactions over long range, extends to longer contexts with direct and light fine-tuning, extrapolates to unseen lengths, and attains significantly lower perplexity on long-context than RoPE families.

Large language models (LLMs) trained on vast corpora suffer from inevitable stereotype biases. Mitigating these biases with fine-tuning could be both costly and data-hungry. Model editing methods, which focus on modifying LLMs in a post-hoc manner, are of great potential to address debiasing. However, it lacks a comprehensive study that facilitates both internal and external model editing methods, supports various bias types, as well as understands the pros and cons of applying editing methods to stereotypical debiasing. To mitigate this gap, we carefully formulate social debiasing into an editing problem and benchmark seven existing model editing algorithms on stereotypical debiasing, i.e., debias editing. Our findings in three scenarios reveal both the potential and challenges of debias editing: (1) Existing model editing methods can effectively preserve knowledge and mitigate biases, while the generalization of debias effect from edited sentences to semantically equivalent sentences is limited.(2) Sequential editing highlights the robustness of SERAC (Mitchell et al. 2022b), while internal editing methods degenerate with the number of edits. (3) Model editing algorithms achieve generalization towards unseen biases both within the same type and from different types. In light of these findings, we further propose two simple but effective methods to improve debias editing, and experimentally show the effectiveness of the proposed methods.

Recent advances in long video understanding typically mitigate visual redundancy through visual token pruning based on attention distribution. However, while existing methods employ post-hoc low-response token pruning in decoder layers, they overlook the input-level semantic correlation between visual tokens and instructions (query). In this paper, we propose QuoTA, an ante-hoc training-free modular that extends existing large video-language models (LVLMs) for visual token assignment based on query-oriented frame-level importance assessment. The query-oriented token selection is crucial as it aligns visual processing with task-specific requirements, optimizing token budget utilization while preserving semantically relevant content. Specifically, (i) QuoTA strategically allocates frame-level importance scores based on query relevance, enabling one-time visual token assignment before cross-modal interactions in decoder layers, (ii) we decouple the query through Chain-of-Thoughts reasoning to facilitate more precise LVLM-based frame importance scoring, and (iii) QuoTA offers a plug-and-play functionality that extends to existing LVLMs. Extensive experimental results demonstrate that implementing QuoTA with LLaVA-Video-7B yields an average performance improvement of 3.2% across six benchmarks (including Video-MME and MLVU) while operating within an identical visual token budget as the baseline. Codes are open-sourced at https://github.com/MAC-AutoML/QuoTA.

Since their introduction, diffusion models have quickly become the prevailing approach to generative modeling in many domains. They can be interpreted as learning the gradients of a time-varying sequence of log-probability density functions. This interpretation has motivated classifier-based and classifier-free guidance as methods for post-hoc control of diffusion models. In this work, we build upon these ideas using the score-based interpretation of diffusion models, and explore alternative ways to condition, modify, and reuse diffusion models for tasks involving compositional generation and guidance. In particular, we investigate why certain types of composition fail using current techniques and present a number of solutions. We conclude that the sampler (not the model) is responsible for this failure and propose new samplers, inspired by MCMC, which enable successful compositional generation. Further, we propose an energy-based parameterization of diffusion models which enables the use of new compositional operators and more sophisticated, Metropolis-corrected samplers. Intriguingly we find these samplers lead to notable improvements in compositional generation across a wide set of problems such as classifier-guided ImageNet modeling and compositional text-to-image generation.

Vision-Language Models (VLMs) excel at visual understanding but often suffer from visual hallucinations, where they generate descriptions of nonexistent objects, actions, or concepts, posing significant risks in safety-critical applications. Existing hallucination mitigation methods typically follow one of two paradigms: generation adjustment, which modifies decoding behavior to align text with visual inputs, and post-hoc verification, where external models assess and correct outputs. While effective, generation adjustment methods often rely on heuristics and lack correction mechanisms, while post-hoc verification is complicated, typically requiring multiple models and tending to reject outputs rather than refine them. In this work, we introduce REVERSE, a unified framework that integrates hallucination-aware training with on-the-fly self-verification. By leveraging a new hallucination-verification dataset containing over 1.3M semi-synthetic samples, along with a novel inference-time retrospective resampling technique, our approach enables VLMs to both detect hallucinations during generation and dynamically revise those hallucinations. Our evaluations show that REVERSE achieves state-of-the-art hallucination reduction, outperforming the best existing methods by up to 12% on CHAIR-MSCOCO and 28% on HaloQuest. Our dataset, model, and code are available at: https://reverse-vlm.github.io.

Automatic creation of 3D scenes for immersive VR presence has been a significant research focus for decades. However, existing methods often rely on either high-poly mesh modeling with post-hoc simplification or massive 3D Gaussians, resulting in a complex pipeline or limited visual realism. In this paper, we demonstrate that such exhaustive modeling is unnecessary for achieving compelling immersive experience. We introduce ImmerseGen, a novel agent-guided framework for compact and photorealistic world modeling. ImmerseGen represents scenes as hierarchical compositions of lightweight geometric proxies, i.e., simplified terrain and billboard meshes, and generates photorealistic appearance by synthesizing RGBA textures onto these proxies. Specifically, we propose terrain-conditioned texturing for user-centric base world synthesis, and RGBA asset texturing for midground and foreground scenery. This reformulation offers several advantages: (i) it simplifies modeling by enabling agents to guide generative models in producing coherent textures that integrate seamlessly with the scene; (ii) it bypasses complex geometry creation and decimation by directly synthesizing photorealistic textures on proxies, preserving visual quality without degradation; (iii) it enables compact representations suitable for real-time rendering on mobile VR headsets. To automate scene creation from text prompts, we introduce VLM-based modeling agents enhanced with semantic grid-based analysis for improved spatial reasoning and accurate asset placement. ImmerseGen further enriches scenes with dynamic effects and ambient audio to support multisensory immersion. Experiments on scene generation and live VR showcases demonstrate that ImmerseGen achieves superior photorealism, spatial coherence and rendering efficiency compared to prior methods. Project webpage: https://immersegen.github.io.

Structural topology optimization (TO) is central to engineering design but remains computationally intensive due to complex physics and hard constraints. Existing deep-learning methods are limited to fixed square grids, a few hand-coded boundary conditions, and post-hoc optimization, preventing general deployment. We introduce Optimize Any Topology (OAT), a foundation-model framework that directly predicts minimum-compliance layouts for arbitrary aspect ratios, resolutions, volume fractions, loads, and fixtures. OAT combines a resolution- and shape-agnostic autoencoder with an implicit neural-field decoder and a conditional latent-diffusion model trained on OpenTO, a new corpus of 2.2 million optimized structures covering 2 million unique boundary-condition configurations. On four public benchmarks and two challenging unseen tests, OAT lowers mean compliance up to 90% relative to the best prior models and delivers sub-1 second inference on a single GPU across resolutions from 64 x 64 to 256 x 256 and aspect ratios as high as 10:1. These results establish OAT as a general, fast, and resolution-free framework for physics-aware topology optimization and provide a large-scale dataset to spur further research in generative modeling for inverse design. Code & data can be found at https://github.com/ahnobari/OptimizeAnyTopology.

Multi-vector models, such as ColBERT, are a significant advancement in neural information retrieval (IR), delivering state-of-the-art performance by representing queries and documents by multiple contextualized token-level embeddings. However, this increased representation size introduces considerable storage and computational overheads which have hindered widespread adoption in practice. A common approach to mitigate this overhead is to cluster the model's frozen vectors, but this strategy's effectiveness is fundamentally limited by the intrinsic clusterability of these embeddings. In this work, we introduce CRISP (Clustered Representations with Intrinsic Structure Pruning), a novel multi-vector training method which learns inherently clusterable representations directly within the end-to-end training process. By integrating clustering into the training phase rather than imposing it post-hoc, CRISP significantly outperforms post-hoc clustering at all representation sizes, as well as other token pruning methods. On the BEIR retrieval benchmarks, CRISP achieves a significant rate of ~3x reduction in the number of vectors while outperforming the original unpruned model. This indicates that learned clustering effectively denoises the model by filtering irrelevant information, thereby generating more robust multi-vector representations. With more aggressive clustering, CRISP achieves an 11x reduction in the number of vectors with only a 3.6% quality loss.

Recent years have seen a surge in interest in digital content watermarking techniques, driven by the proliferation of generative models and increased legal pressure. With an ever-growing percentage of AI-generated content available online, watermarking plays an increasingly important role in ensuring content authenticity and attribution at scale. There have been many works assessing the robustness of watermarking to removal attacks, yet, watermark forging, the scenario when a watermark is stolen from genuine content and applied to malicious content, remains underexplored. In this work, we investigate watermark forging in the context of widely used post-hoc image watermarking. Our contributions are as follows. First, we introduce a preference model to assess whether an image is watermarked. The model is trained using a ranking loss on purely procedurally generated images without any need for real watermarks. Second, we demonstrate the model's capability to remove and forge watermarks by optimizing the input image through backpropagation. This technique requires only a single watermarked image and works without knowledge of the watermarking model, making our attack much simpler and more practical than attacks introduced in related work. Third, we evaluate our proposed method on a variety of post-hoc image watermarking models, demonstrating that our approach can effectively forge watermarks, questioning the security of current watermarking approaches. Our code and further resources are publicly available.

Generating accurate and calibrated confidence estimates is critical for deploying LLMs in high-stakes or user-facing applications, and remains an open challenge. Prior research has often framed confidence as a problem of eliciting a model's "self-knowledge", i.e., the ability of an LLM to judge whether its own answers are correct; this approach implicitly assumes that there is some privileged information about the answer's correctness that is accessible to the model itself. However, our experiments reveal that an LLM attempting to predict the correctness of its own outputs generally performs no better than an unrelated LLM. Moreover, we hypothesize that a key factor in building a "Correctness Model" (CM) is exposure to a target model's historical predictions. We propose multiple methods to inject this historical correctness information, creating a Generalized Correctness Model (GCM). We first show that GCMs can be trained on the correctness data from many LLMs and learn patterns for correctness prediction applicable across datasets and models. We then use CMs as a lens for studying the source of correctness prediction ability and its generalization, systematically controlling their training data and finding that answer phrasing is a strong predictor for correctness. We further explore alternative methods of injecting history without training an LLM, finding that including history as in-context examples can help improve correctness prediction, and post-hoc calibration can provide complementary reductions in calibration error. We evaluate GCMs based on Qwen3-8B across 5 model families and the MMLU and TriviaQA datasets, as well as on a downstream selective prediction task, finding that reliable LLM confidence estimation is a generalizable and model-agnostic skill learned by systematically encoding correctness history rather than a model-specific skill reliant on self-introspection.

To track the 3D locations and trajectories of the other traffic participants at any given time, modern autonomous vehicles are equipped with multiple cameras that cover the vehicle's full surroundings. Yet, camera-based 3D object tracking methods prioritize optimizing the single-camera setup and resort to post-hoc fusion in a multi-camera setup. In this paper, we propose a method for panoramic 3D object tracking, called CC-3DT, that associates and models object trajectories both temporally and across views, and improves the overall tracking consistency. In particular, our method fuses 3D detections from multiple cameras before association, reducing identity switches significantly and improving motion modeling. Our experiments on large-scale driving datasets show that fusion before association leads to a large margin of improvement over post-hoc fusion. We set a new state-of-the-art with 12.6% improvement in average multi-object tracking accuracy (AMOTA) among all camera-based methods on the competitive NuScenes 3D tracking benchmark, outperforming previously published methods by 6.5% in AMOTA with the same 3D detector.

Large Language Models (LLMs) offer natural language explanations as an alternative to feature attribution methods for model interpretability. However, despite their plausibility, they may not reflect the model's internal reasoning faithfully, which is crucial for understanding the model's true decision-making processes. Although several faithfulness metrics have been proposed, a unified evaluation framework remains absent. To address this gap, we present Causal Diagnosticity, a framework to evaluate faithfulness metrics for natural language explanations. Our framework employs the concept of causal diagnosticity, and uses model-editing methods to generate faithful-unfaithful explanation pairs. Our benchmark includes four tasks: fact-checking, analogy, object counting, and multi-hop reasoning. We evaluate a variety of faithfulness metrics, including post-hoc explanation and chain-of-thought-based methods. We find that all tested faithfulness metrics often fail to surpass a random baseline. Our work underscores the need for improved metrics and more reliable interpretability methods in LLMs.

Vision transformers (ViTs) have emerged as a significant area of focus, particularly for their capacity to be jointly trained with large language models and to serve as robust vision foundation models. Yet, the development of trustworthy explanation methods for ViTs has lagged, particularly in the context of post-hoc interpretations of ViT predictions. Existing sub-image selection approaches, such as feature-attribution and conceptual models, fall short in this regard. This paper proposes five desiderata for explaining ViTs -- faithfulness, stability, sparsity, multi-level structure, and parsimony -- and demonstrates the inadequacy of current methods in meeting these criteria comprehensively. We introduce a variational Bayesian explanation framework, dubbed ProbAbilistic Concept Explainers (PACE), which models the distributions of patch embeddings to provide trustworthy post-hoc conceptual explanations. Our qualitative analysis reveals the distributions of patch-level concepts, elucidating the effectiveness of ViTs by modeling the joint distribution of patch embeddings and ViT's predictions. Moreover, these patch-level explanations bridge the gap between image-level and dataset-level explanations, thus completing the multi-level structure of PACE. Through extensive experiments on both synthetic and real-world datasets, we demonstrate that PACE surpasses state-of-the-art methods in terms of the defined desiderata.

As Large Language Models (LLMs) become increasingly integrated into real-world applications, ensuring their outputs align with human values and safety standards has become critical. The field has developed diverse alignment approaches including traditional fine-tuning methods (RLHF, instruction tuning), post-hoc correction systems, and inference-time interventions, each with distinct advantages and limitations. However, the lack of unified evaluation frameworks makes it difficult to systematically compare these paradigms and guide deployment decisions. This paper introduces a multi-dimensional evaluation of alignment techniques for LLMs, a comprehensive evaluation framework that provides a systematic comparison across all major alignment paradigms. Our framework assesses methods along four key dimensions: alignment detection, alignment quality, computational efficiency, and robustness. Through experiments across diverse base models and alignment strategies, we demonstrate the utility of our framework in identifying strengths and limitations of current state-of-the-art models, providing valuable insights for future research directions.

Recent approaches in domain-specific named entity recognition (NER), such as biomedical NER, have shown remarkable advances. However, they still lack of faithfulness, producing erroneous predictions. We assume that knowledge of entities can be useful in verifying the correctness of the predictions. Despite the usefulness of knowledge, resolving such errors with knowledge is nontrivial, since the knowledge itself does not directly indicate the ground-truth label. To this end, we propose VerifiNER, a post-hoc verification framework that identifies errors from existing NER methods using knowledge and revises them into more faithful predictions. Our framework leverages the reasoning abilities of large language models to adequately ground on knowledge and the contextual information in the verification process. We validate effectiveness of VerifiNER through extensive experiments on biomedical datasets. The results suggest that VerifiNER can successfully verify errors from existing models as a model-agnostic approach. Further analyses on out-of-domain and low-resource settings show the usefulness of VerifiNER on real-world applications.

A large set of the explainable Artificial Intelligence (XAI) literature is emerging on feature relevance techniques to explain a deep neural network (DNN) output or explaining models that ingest image source data. However, assessing how XAI techniques can help understand models beyond classification tasks, e.g. for reinforcement learning (RL), has not been extensively studied. We review recent works in the direction to attain Explainable Reinforcement Learning (XRL), a relatively new subfield of Explainable Artificial Intelligence, intended to be used in general public applications, with diverse audiences, requiring ethical, responsible and trustable algorithms. In critical situations where it is essential to justify and explain the agent's behaviour, better explainability and interpretability of RL models could help gain scientific insight on the inner workings of what is still considered a black box. We evaluate mainly studies directly linking explainability to RL, and split these into two categories according to the way the explanations are generated: transparent algorithms and post-hoc explainaility. We also review the most prominent XAI works from the lenses of how they could potentially enlighten the further deployment of the latest advances in RL, in the demanding present and future of everyday problems.

Recently, there has been a widespread proliferation of "expert" language models that are specialized to a specific task or domain through parameter-efficient fine-tuning. How can we recycle large collections of expert language models to improve zero-shot generalization to unseen tasks? In this work, we propose Post-Hoc Adaptive Tokenwise Gating Over an Ocean of Specialized Experts (PHATGOOSE), which learns to route among specialized modules that were produced through parameter-efficient fine-tuning. Unlike past methods that learn to route among specialized models, PHATGOOSE explores the possibility that zero-shot generalization will be improved if different experts can be adaptively chosen for each token and at each layer in the model. Crucially, our method is post-hoc - it does not require simultaneous access to the datasets used to create the specialized models and only requires a modest amount of additional compute after each expert model is trained. In experiments covering a range of specialized model collections and zero-shot generalization benchmarks, we find that PHATGOOSE outperforms past methods for post-hoc routing and, in some cases, outperforms explicit multitask training (which requires simultaneous data access). To better understand the routing strategy learned by PHATGOOSE, we perform qualitative experiments to validate that PHATGOOSE's performance stems from its ability to make adaptive per-token and per-module expert choices. We release all of our code to support future work on improving zero-shot generalization by recycling specialized experts.

We propose VideoRFSplat, a direct text-to-3D model leveraging a video generation model to generate realistic 3D Gaussian Splatting (3DGS) for unbounded real-world scenes. To generate diverse camera poses and unbounded spatial extent of real-world scenes, while ensuring generalization to arbitrary text prompts, previous methods fine-tune 2D generative models to jointly model camera poses and multi-view images. However, these methods suffer from instability when extending 2D generative models to joint modeling due to the modality gap, which necessitates additional models to stabilize training and inference. In this work, we propose an architecture and a sampling strategy to jointly model multi-view images and camera poses when fine-tuning a video generation model. Our core idea is a dual-stream architecture that attaches a dedicated pose generation model alongside a pre-trained video generation model via communication blocks, generating multi-view images and camera poses through separate streams. This design reduces interference between the pose and image modalities. Additionally, we propose an asynchronous sampling strategy that denoises camera poses faster than multi-view images, allowing rapidly denoised poses to condition multi-view generation, reducing mutual ambiguity and enhancing cross-modal consistency. Trained on multiple large-scale real-world datasets (RealEstate10K, MVImgNet, DL3DV-10K, ACID), VideoRFSplat outperforms existing text-to-3D direct generation methods that heavily depend on post-hoc refinement via score distillation sampling, achieving superior results without such refinement.

Prior research on out-of-distribution detection (OoDD) has primarily focused on single-modality models. Recently, with the advent of large-scale pretrained vision-language models such as CLIP, OoDD methods utilizing such multi-modal representations through zero-shot and prompt learning strategies have emerged. However, these methods typically involve either freezing the pretrained weights or only partially tuning them, which can be suboptimal for downstream datasets. In this paper, we highlight that multi-modal fine-tuning (MMFT) can achieve notable OoDD performance. Despite some recent works demonstrating the impact of fine-tuning methods for OoDD, there remains significant potential for performance improvement. We investigate the limitation of na\"ive fine-tuning methods, examining why they fail to fully leverage the pretrained knowledge. Our empirical analysis suggests that this issue could stem from the modality gap within in-distribution (ID) embeddings. To address this, we propose a training objective that enhances cross-modal alignment by regularizing the distances between image and text embeddings of ID data. This adjustment helps in better utilizing pretrained textual information by aligning similar semantics from different modalities (i.e., text and image) more closely in the hyperspherical representation space. We theoretically demonstrate that the proposed regularization corresponds to the maximum likelihood estimation of an energy-based model on a hypersphere. Utilizing ImageNet-1k OoD benchmark datasets, we show that our method, combined with post-hoc OoDD approaches leveraging pretrained knowledge (e.g., NegLabel), significantly outperforms existing methods, achieving state-of-the-art OoDD performance and leading ID accuracy.

The Combined Algorithm Selection and Hyperparameters optimization (CASH) problem is one of the fundamental problems in Automated Machine Learning (AutoML). Motivated by the success of ensemble learning, recent AutoML systems build post-hoc ensembles to output the final predictions instead of using the best single learner. However, while most CASH methods focus on searching for a single learner with the best performance, they neglect the diversity among base learners (i.e., they may suggest similar configurations to previously evaluated ones), which is also a crucial consideration when building an ensemble. To tackle this issue and further enhance the ensemble performance, we propose DivBO, a diversity-aware framework to inject explicit search of diversity into the CASH problems. In the framework, we propose to use a diversity surrogate to predict the pair-wise diversity of two unseen configurations. Furthermore, we introduce a temporary pool and a weighted acquisition function to guide the search of both performance and diversity based on Bayesian optimization. Empirical results on 15 public datasets show that DivBO achieves the best average ranks (1.82 and 1.73) on both validation and test errors among 10 compared methods, including post-hoc designs in recent AutoML systems and state-of-the-art baselines for ensemble learning on CASH problems.

Conversational search has been regarded as the next-generation search paradigm. Constrained by data scarcity, most existing methods distill the well-trained ad-hoc retriever to the conversational retriever. However, these methods, which usually initialize parameters by query reformulation to discover contextualized dependency, have trouble in understanding the dialogue structure information and struggle with contextual semantic vanishing. In this paper, we propose \fullmodel (\model) which is a new post-training paradigm with three self-supervised tasks to efficiently initialize the conversational search model to enhance the dialogue structure and contextual semantic understanding. Furthermore, the \model can be plugged into most of the existing conversational models to boost their performance. To verify the effectiveness of our proposed method, we apply the conversational encoder post-trained by \model on the conversational search task using two benchmark datasets: CAsT-19 and CAsT-20. Extensive experiments that our \model can boost the performance of several existing conversational search methods. Our source code is available at https://github.com/morecry/SSP.

Multilingual large language models (LLMs) often exhibit language confusion, a tendency to generate responses in a dominant language irrespective of the prompt's language. To address this, we propose Smoothie-Qwen, a lightweight, post-hoc method that mitigates language bias without retraining. This technique selectively adjusts token-level output probabilities to effectively suppress undesired language generation. Applied to the Qwen model, our method reduces unintended Chinese output by over 95% while preserving task accuracy on multilingual benchmarks. This work provides a practical and efficient solution for enhancing the language controllability of LLMs, making them more reliable for global applications.

In critical applications, it is vital for classifiers to defer decision-making to humans. We propose a post-hoc method that makes existing classifiers selectively abstain from predicting certain samples. Our abstaining classifier is incentivized to maintain the original accuracy for each sub-population (i.e. no harm) while achieving a set of group fairness definitions to a user specified degree. To this end, we design an Integer Programming (IP) procedure that assigns abstention decisions for each training sample to satisfy a set of constraints. To generalize the abstaining decisions to test samples, we then train a surrogate model to learn the abstaining decisions based on the IP solutions in an end-to-end manner. We analyze the feasibility of the IP procedure to determine the possible abstention rate for different levels of unfairness tolerance and accuracy constraint for achieving no harm. To the best of our knowledge, this work is the first to identify the theoretical relationships between the constraint parameters and the required abstention rate. Our theoretical results are important since a high abstention rate is often infeasible in practice due to a lack of human resources. Our framework outperforms existing methods in terms of fairness disparity without sacrificing accuracy at similar abstention rates.

In monocular depth estimation, uncertainty estimation approaches mainly target the data uncertainty introduced by image noise. In contrast to prior work, we address the uncertainty due to lack of knowledge, which is relevant for the detection of data not represented by the training distribution, the so-called out-of-distribution (OOD) data. Motivated by anomaly detection, we propose to detect OOD images from an encoder-decoder depth estimation model based on the reconstruction error. Given the features extracted with the fixed depth encoder, we train an image decoder for image reconstruction using only in-distribution data. Consequently, OOD images result in a high reconstruction error, which we use to distinguish between in- and out-of-distribution samples. We built our experiments on the standard NYU Depth V2 and KITTI benchmarks as in-distribution data. Our post hoc method performs astonishingly well on different models and outperforms existing uncertainty estimation approaches without modifying the trained encoder-decoder depth estimation model.

Label errors have been found to be prevalent in popular text, vision, and audio datasets, which heavily influence the safe development and evaluation of machine learning algorithms. Despite increasing efforts towards improving the quality of generic data types, such as images and texts, the problem of mislabel detection in graph data remains underexplored. To bridge the gap, we explore mislabelling issues in popular real-world graph datasets and propose GraphCleaner, a post-hoc method to detect and correct these mislabelled nodes in graph datasets. GraphCleaner combines the novel ideas of 1) Synthetic Mislabel Dataset Generation, which seeks to generate realistic mislabels; and 2) Neighborhood-Aware Mislabel Detection, where neighborhood dependency is exploited in both labels and base classifier predictions. Empirical evaluations on 6 datasets and 6 experimental settings demonstrate that GraphCleaner outperforms the closest baseline, with an average improvement of 0.14 in F1 score, and 0.16 in MCC. On real-data case studies, GraphCleaner detects real and previously unknown mislabels in popular graph benchmarks: PubMed, Cora, CiteSeer and OGB-arxiv; we find that at least 6.91% of PubMed data is mislabelled or ambiguous, and simply removing these mislabelled data can boost evaluation performance from 86.71% to 89.11%.

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

Detecting out-of-distribution (OOD) data is a critical challenge in machine learning due to model overconfidence, often without awareness of their epistemological limits. We hypothesize that ``neural collapse'', a phenomenon affecting in-distribution data for models trained beyond loss convergence, also influences OOD data. To benefit from this interplay, we introduce NECO, a novel post-hoc method for OOD detection, which leverages the geometric properties of ``neural collapse'' and of principal component spaces to identify OOD data. Our extensive experiments demonstrate that NECO achieves state-of-the-art results on both small and large-scale OOD detection tasks while exhibiting strong generalization capabilities across different network architectures. Furthermore, we provide a theoretical explanation for the effectiveness of our method in OOD detection. Code is available at https://gitlab.com/drti/neco

Understanding natural language requires common sense, one aspect of which is the ability to discern the plausibility of events. While distributional models -- most recently pre-trained, Transformer language models -- have demonstrated improvements in modeling event plausibility, their performance still falls short of humans'. In this work, we show that Transformer-based plausibility models are markedly inconsistent across the conceptual classes of a lexical hierarchy, inferring that "a person breathing" is plausible while "a dentist breathing" is not, for example. We find this inconsistency persists even when models are softly injected with lexical knowledge, and we present a simple post-hoc method of forcing model consistency that improves correlation with human plausibility judgements.

The lack of interpretability of the Vision Transformer may hinder its use in critical real-world applications despite its effectiveness. To overcome this issue, we propose a post-hoc interpretability method called VISION DIFFMASK, which uses the activations of the model's hidden layers to predict the relevant parts of the input that contribute to its final predictions. Our approach uses a gating mechanism to identify the minimal subset of the original input that preserves the predicted distribution over classes. We demonstrate the faithfulness of our method, by introducing a faithfulness task, and comparing it to other state-of-the-art attribution methods on CIFAR-10 and ImageNet-1K, achieving compelling results. To aid reproducibility and further extension of our work, we open source our implementation: https://github.com/AngelosNal/Vision-DiffMask

Deep neural networks are increasingly utilized in various machine learning tasks. However, as these models grow in complexity, they often face calibration issues, despite enhanced prediction accuracy. Many studies have endeavored to improve calibration performance through the use of specific loss functions, data preprocessing and training frameworks. Yet, investigations into calibration properties have been somewhat overlooked. Our study leverages the Neural Architecture Search (NAS) search space, offering an exhaustive model architecture space for thorough calibration properties exploration. We specifically create a model calibration dataset. This dataset evaluates 90 bin-based and 12 additional calibration measurements across 117,702 unique neural networks within the widely employed NATS-Bench search space. Our analysis aims to answer several longstanding questions in the field, using our proposed dataset: (i) Can model calibration be generalized across different datasets? (ii) Can robustness be used as a calibration measurement? (iii) How reliable are calibration metrics? (iv) Does a post-hoc calibration method affect all models uniformly? (v) How does calibration interact with accuracy? (vi) What is the impact of bin size on calibration measurement? (vii) Which architectural designs are beneficial for calibration? Additionally, our study bridges an existing gap by exploring calibration within NAS. By providing this dataset, we enable further research into NAS calibration. As far as we are aware, our research represents the first large-scale investigation into calibration properties and the premier study of calibration issues within NAS. The project page can be found at https://www.taolinwei.com/calibration-study

We present an online post-hoc calibration method, called Online Platt Scaling (OPS), which combines the Platt scaling technique with online logistic regression. We demonstrate that OPS smoothly adapts between i.i.d. and non-i.i.d. settings with distribution drift. Further, in scenarios where the best Platt scaling model is itself miscalibrated, we enhance OPS by incorporating a recently developed technique called calibeating to make it more robust. Theoretically, our resulting OPS+calibeating method is guaranteed to be calibrated for adversarial outcome sequences. Empirically, it is effective on a range of synthetic and real-world datasets, with and without distribution drifts, achieving superior performance without hyperparameter tuning. Finally, we extend all OPS ideas to the beta scaling method.

The most effective techniques to detect LLM-generated text rely on inserting a detectable signature -- or watermark -- during the model's decoding process. Most existing watermarking methods require access to the underlying LLM's logits, which LLM API providers are loath to share due to fears of model distillation. As such, these watermarks must be implemented independently by each LLM provider. In this paper, we develop PostMark, a modular post-hoc watermarking procedure in which an input-dependent set of words (determined via a semantic embedding) is inserted into the text after the decoding process has completed. Critically, PostMark does not require logit access, which means it can be implemented by a third party. We also show that PostMark is more robust to paraphrasing attacks than existing watermarking methods: our experiments cover eight baseline algorithms, five base LLMs, and three datasets. Finally, we evaluate the impact of PostMark on text quality using both automated and human assessments, highlighting the trade-off between quality and robustness to paraphrasing. We release our code, outputs, and annotations at https://github.com/lilakk/PostMark.

Mixed modality search -- retrieving information across a heterogeneous corpus composed of images, texts, and multimodal documents -- is an important yet underexplored real-world application. In this work, we investigate how contrastive vision-language models, such as CLIP, perform on the mixed modality search task. Our analysis reveals a critical limitation: these models exhibit a pronounced modality gap in the embedding space, where image and text embeddings form distinct clusters, leading to intra-modal ranking bias and inter-modal fusion failure. To address this issue, we propose GR-CLIP, a lightweight post-hoc calibration method that removes the modality gap in CLIP's embedding space. Evaluated on MixBench -- the first benchmark specifically designed for mixed modality search -- GR-CLIP improves NDCG@10 by up to 26 percentage points over CLIP, surpasses recent vision-language generative embedding models by 4 percentage points, while using 75x less compute.

While Code Language Models (CLMs) have demonstrated superior performance in software engineering tasks such as code generation and summarization, recent empirical studies reveal a critical privacy vulnerability: these models exhibit unintended memorization of sensitive training data, enabling verbatim reproduction of confidential information when specifically prompted. To address this issue, several approaches, including training data de-duplication and differential privacy augmentation, have been proposed. However, these methods require full-model retraining for deployed CLMs, which incurs substantial computational costs. In this paper, we aim to answer the following research question: Can sensitive information memorized by CLMs be erased effectively and efficiently? We conduct a pioneering investigation into erasing sensitive memorization in CLMs through machine unlearning - a post-hoc modification method that removes specific information from trained models without requiring full retraining. Specifically, we first quantify the memorization risks of sensitive data within CLM training datasets and curate a high-risk dataset of 50,000 sensitive memorized samples as unlearning targets. We study two widely used gradient ascent-based unlearning approaches: the vanilla and constraint-based methods, and introduce CodeEraser, an advanced variant that selectively unlearns sensitive memorized segments in code while preserving the structural integrity and functional correctness of the surrounding code. Extensive experiments on three families of CLMs, i.e., CodeParrot, CodeGen-Mono, and Qwen2.5-Coder, validate the effectiveness and efficiency of CodeEraser in erasing targeted sensitive memorization while maintaining model utility.

Out-of-distribution (OOD) detection aims at identifying samples from unknown classes, playing a crucial role in trustworthy models against errors on unexpected inputs. Extensive research has been dedicated to exploring OOD detection in the vision modality. Vision-language models (VLMs) can leverage both textual and visual information for various multi-modal applications, whereas few OOD detection methods take into account information from the text modality. In this paper, we propose a novel post hoc OOD detection method, called NegLabel, which takes a vast number of negative labels from extensive corpus databases. We design a novel scheme for the OOD score collaborated with negative labels. Theoretical analysis helps to understand the mechanism of negative labels. Extensive experiments demonstrate that our method NegLabel achieves state-of-the-art performance on various OOD detection benchmarks and generalizes well on multiple VLM architectures. Furthermore, our method NegLabel exhibits remarkable robustness against diverse domain shifts. The codes are available at https://github.com/tmlr-group/NegLabel.

Out-of-distribution (OOD) detection is a critical requirement for the deployment of deep neural networks. This paper introduces the HEAT model, a new post-hoc OOD detection method estimating the density of in-distribution (ID) samples using hybrid energy-based models (EBM) in the feature space of a pre-trained backbone. HEAT complements prior density estimators of the ID density, e.g. parametric models like the Gaussian Mixture Model (GMM), to provide an accurate yet robust density estimation. A second contribution is to leverage the EBM framework to provide a unified density estimation and to compose several energy terms. Extensive experiments demonstrate the significance of the two contributions. HEAT sets new state-of-the-art OOD detection results on the CIFAR-10 / CIFAR-100 benchmark as well as on the large-scale Imagenet benchmark. The code is available at: https://github.com/MarcLafon/heatood.

Recently, increasing attention has been drawn to the internal mechanisms of convolutional neural networks, and the reason why the network makes specific decisions. In this paper, we develop a novel post-hoc visual explanation method called Score-CAM based on class activation mapping. Unlike previous class activation mapping based approaches, Score-CAM gets rid of the dependence on gradients by obtaining the weight of each activation map through its forward passing score on target class, the final result is obtained by a linear combination of weights and activation maps. We demonstrate that Score-CAM achieves better visual performance and fairness for interpreting the decision making process. Our approach outperforms previous methods on both recognition and localization tasks, it also passes the sanity check. We also indicate its application as debugging tools. Official code has been released.

The performance of large language models (LLMs) on existing reasoning benchmarks has significantly improved over the past years. In response, we present JEEBench, a considerably more challenging benchmark dataset for evaluating the problem solving abilities of LLMs. We curate 515 challenging pre-engineering mathematics, physics and chemistry problems from the highly competitive IIT JEE-Advanced exam. Long-horizon reasoning on top of deep in-domain knowledge is essential for solving problems in this benchmark. Our evaluation on various open-source and proprietary models reveals that the highest performance, even after using techniques like self-consistency, self-refinement and chain-of-thought prompting, is less than 40%. The typical failure modes of GPT-4, the best model, are errors in algebraic manipulation, difficulty in grounding abstract concepts into mathematical equations accurately and failure in retrieving relevant domain-specific concepts. We also observe that by mere prompting, GPT-4 is unable to assess risk introduced by negative marking for incorrect answers. For this, we develop a post-hoc confidence-thresholding method over self-consistency, which enables effective response selection. We hope that our challenging benchmark will guide future re-search in problem-solving using LLMs.

Aligning large language models with human preferences is critical for creating reliable and controllable AI systems. A human preference can be visualized as a high-dimensional vector where different directions represent trade-offs between desired attributes (e.g., helpfulness vs. verbosity). Yet, because the training data often reflects dominant, average preferences, LLMs tend to perform well on common requests but fall short in specific, individual needs. This mismatch creates a preference coverage gap. Existing methods often address this through costly retraining, which may not be generalized to the full spectrum of diverse preferences. This brittleness means that when a user's request reflects a nuanced preference deviating from the training data's central tendency, model performance can degrade unpredictably. To address this challenge, we introduce Robust Preference Selection (RPS), a post-hoc, training-free method by leveraging directional neighborhood consensus. Instead of forcing a model to generate a response from a single, highly specific preference, RPS samples multiple responses from a local neighborhood of related preferences to create a superior candidate pool. It then selects the response that best aligns with the user's original intent. We provide a theoretical framework showing our neighborhood generation strategy is provably superior to a strong baseline that also samples multiple candidates. Comprehensive experiments across three distinct alignment paradigms (DPA, DPO, and SFT) demonstrate that RPS consistently improves robustness against this baseline, achieving win rates of up to 69% on challenging preferences from under-represented regions of the space without any model retraining. Our work presents a practical, theoretically-grounded solution for enhancing the reliability of preference-aligned models.

Vision-language models (VLMs), such as CLIP and SigLIP, have found remarkable success in classification, retrieval, and generative tasks. For this, VLMs deterministically map images and text descriptions to a joint latent space in which their similarity is assessed using the cosine similarity. However, a deterministic mapping of inputs fails to capture uncertainties over concepts arising from domain shifts when used in downstream tasks. In this work, we propose post-hoc uncertainty estimation in VLMs that does not require additional training. Our method leverages a Bayesian posterior approximation over the last layers in VLMs and analytically quantifies uncertainties over cosine similarities. We demonstrate its effectiveness for uncertainty quantification and support set selection in active learning. Compared to baselines, we obtain improved and well-calibrated predictive uncertainties, interpretable uncertainty estimates, and sample-efficient active learning. Our results show promise for safety-critical applications of large-scale models.

We consider a binary classification problem under group fairness constraints, which can be one of Demographic Parity (DP), Equalized Opportunity (EOp), or Equalized Odds (EO). We propose an explicit characterization of Bayes optimal classifier under the fairness constraints, which turns out to be a simple modification rule of the unconstrained classifier. Namely, we introduce a novel instance-level measure of bias, which we call bias score, and the modification rule is a simple linear rule on top of the finite amount of bias scores.Based on this characterization, we develop a post-hoc approach that allows us to adapt to fairness constraints while maintaining high accuracy. In the case of DP and EOp constraints, the modification rule is thresholding a single bias score, while in the case of EO constraints we are required to fit a linear modification rule with 2 parameters. The method can also be applied for composite group-fairness criteria, such as ones involving several sensitive attributes.

We introduce PHLoRA (Pronounced "flora"). (Post-hoc LoRA), a simple yet powerful method to extract low-rank adaptation adapters from full-rank fine-tuned models without requiring access to training data or gradients. By computing the low-rank decomposition of weight differences between a base model and its fine-tuned counterpart, our method reconstructs adapter modules that can be merged or dynamically routed at inference time via S-LoRA, or served in scalable, industry settings using platforms like NVIDIA NIM. This approach amortizes latency overhead across requests and yields substantial cost savings. Unlike prior work that trains each adapter explicitly, our approach decouples fine-tuning from adapter generation, allowing adapter extraction from existing full-rank models or third-party checkpoints. Experiments on text, image, and video benchmarks using the Amazon Nova model family demonstrate that extracted adapters preserve high energy from the full weight delta, can be pruned safely, and yield negligible degradation in downstream task performance when re-merged. Overall, PHLoRA provides a practical path for making all existing full-rank checkpoints adapter-ready, democratizing scalable inference for all models.

We develop a method for generating causal post-hoc explanations of black-box classifiers based on a learned low-dimensional representation of the data. The explanation is causal in the sense that changing learned latent factors produces a change in the classifier output statistics. To construct these explanations, we design a learning framework that leverages a generative model and information-theoretic measures of causal influence. Our objective function encourages both the generative model to faithfully represent the data distribution and the latent factors to have a large causal influence on the classifier output. Our method learns both global and local explanations, is compatible with any classifier that admits class probabilities and a gradient, and does not require labeled attributes or knowledge of causal structure. Using carefully controlled test cases, we provide intuition that illuminates the function of our objective. We then demonstrate the practical utility of our method on image recognition tasks.

We present a training-free method to transplant tokenizers in pretrained large language models (LLMs) by reconstructing unseen token embeddings via Orthogonal Matching Pursuit (OMP). Specifically, we approximate each out-of-vocabulary token as a sparse linear combination of shared tokens, in two phases: first, compute each new token's representation in the donor embedding space with a small dictionary of shared anchor tokens, then transfer these same sparse coefficients back into the base model's embedding space. On two challenging cross-tokenizer tasks--LlamatoMistral NeMo (12B) and QwentoLlama (1B)--we show that OMP achieves best zero-shot preservation of the base model's performance across multiple benchmarks, while other zero-shot approaches degrade significantly. Compared to baselines (zero-init, mean-init, and existing approaches like WECHSEL, FOCUS, ZETT), OMP consistently achieves the best overall performance, effectively bridging large tokenizer discrepancies without gradient updates. Our analysis further identifies mismatched numerical tokenization schemes as a critical challenge for preserving mathematical reasoning capabilities. This technique enables direct reuse of pretrained model weights with new tokenizers, facilitating cross-tokenizer knowledge distillation, speculative decoding, ensembling, merging, and domain-specific vocabulary adaptations. We integrate our method into the open-source mergekit-tokensurgeon tool for post hoc vocabulary realignment.

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

Out-of-distribution (OOD) detection is critical to building reliable machine learning systems in the open world. Researchers have proposed various strategies to reduce model overconfidence on OOD data. Among them, ReAct is a typical and effective technique to deal with model overconfidence, which truncates high activations to increase the gap between in-distribution and OOD. Despite its promising results, is this technique the best choice for widening the gap? To answer this question, we leverage the variational method to find the optimal operation and verify the necessity of suppressing abnormally low and high activations and amplifying intermediate activations in OOD detection, rather than focusing only on high activations like ReAct. This motivates us to propose a novel technique called ``Variational Rectified Activation (VRA)'', which simulates these suppression and amplification operations using piecewise functions. Experimental results on multiple benchmark datasets demonstrate that our method outperforms existing post-hoc strategies. Meanwhile, VRA is compatible with different scoring functions and network architectures. \textcolor[rgb]{0.93,0.0,0.47}{Our code can be found in Supplementary Material}.

Vision Transformers (ViTs) have emerged as the dominant architecture for visual processing tasks, demonstrating excellent scalability with increased training data and model size. However, recent work has identified the emergence of artifact tokens in ViTs that are incongruous with the local semantics. These anomalous tokens degrade ViT performance in tasks that require fine-grained localization or structural coherence. An effective mitigation of this issue is to the addition of register tokens to ViTs, which implicitly "absorb" the artifact term during training. Given the availability of various large-scale pre-trained ViTs, in this paper we aim at equipping them with such register tokens without the need of re-training them from scratch, which is infeasible considering their size. Specifically, we propose Post Hoc Registers (PH-Reg), an efficient self-distillation method that integrates registers into an existing ViT without requiring additional labeled data and full retraining. PH-Reg initializes both teacher and student networks from the same pre-trained ViT. The teacher remains frozen and unmodified, while the student is augmented with randomly initialized register tokens. By applying test-time augmentation to the teacher's inputs, we generate denoised dense embeddings free of artifacts, which are then used to optimize only a small subset of unlocked student weights. We show that our approach can effectively reduce the number of artifact tokens, improving the segmentation and depth prediction of the student ViT under zero-shot and linear probing.

Zero-shot learning models achieve remarkable results on image classification for samples from classes that were not seen during training. However, such models must be trained from scratch with specialised methods: therefore, access to a training dataset is required when the need for zero-shot classification arises. In this paper, we aim to equip pre-trained models with zero-shot classification capabilities without the use of image data. We achieve this with our proposed Image-free Classifier Injection with Semantics (ICIS) that injects classifiers for new, unseen classes into pre-trained classification models in a post-hoc fashion without relying on image data. Instead, the existing classifier weights and simple class-wise descriptors, such as class names or attributes, are used. ICIS has two encoder-decoder networks that learn to reconstruct classifier weights from descriptors (and vice versa), exploiting (cross-)reconstruction and cosine losses to regularise the decoding process. Notably, ICIS can be cheaply trained and applied directly on top of pre-trained classification models. Experiments on benchmark ZSL datasets show that ICIS produces unseen classifier weights that achieve strong (generalised) zero-shot classification performance. Code is available at https://github.com/ExplainableML/ImageFreeZSL .

Modern large language models often encode sensitive, harmful, or copyrighted knowledge, raising the need for post-hoc unlearning-the ability to remove specific domains of knowledge from a model without full retraining. A major bottleneck in current unlearning pipelines is constructing effective forget sets-datasets that approximate the target domain and guide the model to forget it. In this work, we introduce a scalable, automated approach to generate high-quality forget sets using language models themselves. Our method synthesizes textbook-style data through a structured prompting pipeline, requiring only a domain name as input. Through experiments on unlearning biosecurity, cybersecurity, and Harry Potter novels, we show that our synthetic datasets consistently outperform the baseline synthetic alternatives and are comparable to the expert-curated ones. Additionally, ablation studies reveal that the multi-step generation pipeline significantly boosts data diversity, which in turn improves unlearning utility. Overall, our findings suggest that synthetic datasets offer a promising path toward practical, scalable unlearning for a wide range of emerging domains without the need for manual intervention. We release our code and dataset at https://github.com/xyzhu123/Synthetic_Textbook.

Anchors (Ribeiro et al., 2018) is a post-hoc, rule-based interpretability method. For text data, it proposes to explain a decision by highlighting a small set of words (an anchor) such that the model to explain has similar outputs when they are present in a document. In this paper, we present the first theoretical analysis of Anchors, considering that the search for the best anchor is exhaustive. After formalizing the algorithm for text classification, we present explicit results on different classes of models when the vectorization step is TF-IDF, and words are replaced by a fixed out-of-dictionary token when removed. Our inquiry covers models such as elementary if-then rules and linear classifiers. We then leverage this analysis to gain insights on the behavior of Anchors for any differentiable classifiers. For neural networks, we empirically show that the words corresponding to the highest partial derivatives of the model with respect to the input, reweighted by the inverse document frequencies, are selected by Anchors.

While large pre-trained models have enabled impressive results on a variety of downstream tasks, the largest existing models still make errors, and even accurate predictions may become outdated over time. Because detecting all such failures at training time is impossible, enabling both developers and end users of such models to correct inaccurate outputs while leaving the model otherwise intact is desirable. However, the distributed, black-box nature of the representations learned by large neural networks makes producing such targeted edits difficult. If presented with only a single problematic input and new desired output, fine-tuning approaches tend to overfit; other editing algorithms are either computationally infeasible or simply ineffective when applied to very large models. To enable easy post-hoc editing at scale, we propose Model Editor Networks using Gradient Decomposition (MEND), a collection of small auxiliary editing networks that use a single desired input-output pair to make fast, local edits to a pre-trained model's behavior. MEND learns to transform the gradient obtained by standard fine-tuning, using a low-rank decomposition of the gradient to make the parameterization of this transformation tractable. MEND can be trained on a single GPU in less than a day even for 10 billion+ parameter models; once trained MEND enables rapid application of new edits to the pre-trained model. Our experiments with T5, GPT, BERT, and BART models show that MEND is the only approach to model editing that effectively edits the behavior of models with more than 10 billion parameters. Code and data available at https://sites.google.com/view/mend-editing.

Diffusion models currently dominate the field of data-driven image synthesis with their unparalleled scaling to large datasets. In this paper, we identify and rectify several causes for uneven and ineffective training in the popular ADM diffusion model architecture, without altering its high-level structure. Observing uncontrolled magnitude changes and imbalances in both the network activations and weights over the course of training, we redesign the network layers to preserve activation, weight, and update magnitudes on expectation. We find that systematic application of this philosophy eliminates the observed drifts and imbalances, resulting in considerably better networks at equal computational complexity. Our modifications improve the previous record FID of 2.41 in ImageNet-512 synthesis to 1.81, achieved using fast deterministic sampling. As an independent contribution, we present a method for setting the exponential moving average (EMA) parameters post-hoc, i.e., after completing the training run. This allows precise tuning of EMA length without the cost of performing several training runs, and reveals its surprising interactions with network architecture, training time, and guidance.

Chess provides an ideal testbed for evaluating the reasoning, modeling, and abstraction capabilities of large language models (LLMs), as it has well-defined structure and objective ground truth while admitting a wide spectrum of skill levels. However, existing evaluations of LLM ability in chess are ad hoc and narrow in scope, making it difficult to accurately measure LLM chess understanding and how it varies with scale, post-training methodologies, or architecture choices. We present ChessQA, a comprehensive benchmark that assesses LLM chess understanding across five task categories (Structural, Motifs, Short Tactics, Position Judgment, and Semantic), which approximately correspond to the ascending abstractions that players master as they accumulate chess knowledge, from understanding basic rules and learning tactical motifs to correctly calculating tactics, evaluating positions, and semantically describing high-level concepts. In this way, ChessQA captures a more comprehensive picture of chess ability and understanding, going significantly beyond the simple move quality evaluations done previously, and offers a controlled, consistent setting for diagnosis and comparison. Furthermore, ChessQA is inherently dynamic, with prompts, answer keys, and construction scripts that can evolve as models improve. Evaluating a range of contemporary LLMs, we find persistent weaknesses across all five categories and provide results and error analyses by category. We will release the code, periodically refreshed datasets, and a public leaderboard to support further research.

In this paper, we introduce a new approach, called Posthoc Interpretation via Quantization (PIQ), for interpreting decisions made by trained classifiers. Our method utilizes vector quantization to transform the representations of a classifier into a discrete, class-specific latent space. The class-specific codebooks act as a bottleneck that forces the interpreter to focus on the parts of the input data deemed relevant by the classifier for making a prediction. Our model formulation also enables learning concepts by incorporating the supervision of pretrained annotation models such as state-of-the-art image segmentation models. We evaluated our method through quantitative and qualitative studies involving black-and-white images, color images, and audio. As a result of these studies we found that PIQ generates interpretations that are more easily understood by participants to our user studies when compared to several other interpretation methods in the literature.