Daily Papers

Mechanistic interpretability aims to understand the internal mechanisms learned by neural networks. Despite recent progress toward this goal, it remains unclear how best to decompose neural network parameters into mechanistic components. We introduce Attribution-based Parameter Decomposition (APD), a method that directly decomposes a neural network's parameters into components that (i) are faithful to the parameters of the original network, (ii) require a minimal number of components to process any input, and (iii) are maximally simple. Our approach thus optimizes for a minimal length description of the network's mechanisms. We demonstrate APD's effectiveness by successfully identifying ground truth mechanisms in multiple toy experimental settings: Recovering features from superposition; separating compressed computations; and identifying cross-layer distributed representations. While challenges remain to scaling APD to non-toy models, our results suggest solutions to several open problems in mechanistic interpretability, including identifying minimal circuits in superposition, offering a conceptual foundation for 'features', and providing an architecture-agnostic framework for neural network decomposition.

A key step in reverse engineering neural networks is to decompose them into simpler parts that can be studied in relative isolation. Linear parameter decomposition -- a framework that has been proposed to resolve several issues with current decomposition methods -- decomposes neural network parameters into a sum of sparsely used vectors in parameter space. However, the current main method in this framework, Attribution-based Parameter Decomposition (APD), is impractical on account of its computational cost and sensitivity to hyperparameters. In this work, we introduce Stochastic Parameter Decomposition (SPD), a method that is more scalable and robust to hyperparameters than APD, which we demonstrate by decomposing models that are slightly larger and more complex than was possible to decompose with APD. We also show that SPD avoids other issues, such as shrinkage of the learned parameters, and better identifies ground truth mechanisms in toy models. By bridging causal mediation analysis and network decomposition methods, this demonstration opens up new research possibilities in mechanistic interpretability by removing barriers to scaling linear parameter decomposition methods to larger models. We release a library for running SPD and reproducing our experiments at https://github.com/goodfire-ai/spd.

The problem of attribution is concerned with identifying the parts of an input that are responsible for a model's output. An important family of attribution methods is based on measuring the effect of perturbations applied to the input. In this paper, we discuss some of the shortcomings of existing approaches to perturbation analysis and address them by introducing the concept of extremal perturbations, which are theoretically grounded and interpretable. We also introduce a number of technical innovations to compute extremal perturbations, including a new area constraint and a parametric family of smooth perturbations, which allow us to remove all tunable hyper-parameters from the optimization problem. We analyze the effect of perturbations as a function of their area, demonstrating excellent sensitivity to the spatial properties of the deep neural network under stimulation. We also extend perturbation analysis to the intermediate layers of a network. This application allows us to identify the salient channels necessary for classification, which, when visualized using feature inversion, can be used to elucidate model behavior. Lastly, we introduce TorchRay, an interpretability library built on PyTorch.

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}.

To develop a trustworthy AI system, which aim to identify the input regions that most influence the models decisions. The primary task of existing attribution methods lies in efficiently and accurately identifying the relationships among input-prediction interactions. Particularly when the input data is discrete, such as images, analyzing the relationship between inputs and outputs poses a significant challenge due to the combinatorial explosion. In this paper, we propose a novel and efficient black-box attribution mechanism, LiMA (Less input is More faithful for Attribution), which reformulates the attribution of important regions as an optimization problem for submodular subset selection. First, to accurately assess interactions, we design a submodular function that quantifies subset importance and effectively captures their impact on decision outcomes. Then, efficiently ranking input sub-regions by their importance for attribution, we improve optimization efficiency through a novel bidirectional greedy search algorithm. LiMA identifies both the most and least important samples while ensuring an optimal attribution boundary that minimizes errors. Extensive experiments on eight foundation models demonstrate that our method provides faithful interpretations with fewer regions and exhibits strong generalization, shows an average improvement of 36.3% in Insertion and 39.6% in Deletion. Our method also outperforms the naive greedy search in attribution efficiency, being 1.6 times faster. Furthermore, when explaining the reasons behind model prediction errors, the average highest confidence achieved by our method is, on average, 86.1% higher than that of state-of-the-art attribution algorithms. The code is available at https://github.com/RuoyuChen10/LIMA.

Data attribution seeks to trace model outputs back to training data. With the recent development of diffusion models, data attribution has become a desired module to properly assign valuations for high-quality or copyrighted training samples, ensuring that data contributors are fairly compensated or credited. Several theoretically motivated methods have been proposed to implement data attribution, in an effort to improve the trade-off between computational scalability and effectiveness. In this work, we conduct extensive experiments and ablation studies on attributing diffusion models, specifically focusing on DDPMs trained on CIFAR-10 and CelebA, as well as a Stable Diffusion model LoRA-finetuned on ArtBench. Intriguingly, we report counter-intuitive observations that theoretically unjustified design choices for attribution empirically outperform previous baselines by a large margin, in terms of both linear datamodeling score and counterfactual evaluation. Our work presents a significantly more efficient approach for attributing diffusion models, while the unexpected findings suggest that at least in non-convex settings, constructions guided by theoretical assumptions may lead to inferior attribution performance. The code is available at https://github.com/sail-sg/D-TRAK.

Mechanistic interpretability seeks to reverse-engineer neural network computations into human-understandable algorithms, yet extracting sparse computational circuits from billion-parameter language models remains challenging due to exponential search complexity and pervasive polysemanticity. The proposed Hierarchical Attribution Graph Decomposition (HAGD) framework reduces circuit discovery complexity from O(2^n) exhaustive enumeration to O(n^2 log n) through multi-resolution abstraction hierarchies and differentiable circuit search. The methodology integrates cross-layer transcoders for monosemantic feature extraction, graph neural network meta-learning for topology prediction, and causal intervention protocols for validation. Empirical evaluation spans GPT-2 variants, Llama-7B through Llama-70B, and Pythia suite models across algorithmic tasks and natural language benchmarks. On modular arithmetic tasks, the framework achieves up to 91% behavioral preservation (pm2.3\% across runs) while maintaining interpretable subgraph sizes. Cross-architecture transfer experiments suggest that discovered circuits exhibit moderate structural similarity (averaging 67%) across model families, indicating potential shared computational patterns. These results provide preliminary foundations for interpretability at larger model scales while identifying significant limitations in current attribution methodologies that require future advances.

Model attribution is a popular tool to explain the rationales behind model predictions. However, recent work suggests that the attributions are vulnerable to minute perturbations, which can be added to input samples to fool the attributions while maintaining the prediction outputs. Although empirical studies have shown positive performance via adversarial training, an effective certified defense method is eminently needed to understand the robustness of attributions. In this work, we propose to use uniform smoothing technique that augments the vanilla attributions by noises uniformly sampled from a certain space. It is proved that, for all perturbations within the attack region, the cosine similarity between uniformly smoothed attribution of perturbed sample and the unperturbed sample is guaranteed to be lower bounded. We also derive alternative formulations of the certification that is equivalent to the original one and provides the maximum size of perturbation or the minimum smoothing radius such that the attribution can not be perturbed. We evaluate the proposed method on three datasets and show that the proposed method can effectively protect the attributions from attacks, regardless of the architecture of networks, training schemes and the size of the datasets.

Despite a sea of interpretability methods that can produce plausible explanations, the field has also empirically seen many failure cases of such methods. In light of these results, it remains unclear for practitioners how to use these methods and choose between them in a principled way. In this paper, we show that for moderately rich model classes (easily satisfied by neural networks), any feature attribution method that is complete and linear -- for example, Integrated Gradients and SHAP -- can provably fail to improve on random guessing for inferring model behaviour. Our results apply to common end-tasks such as characterizing local model behaviour, identifying spurious features, and algorithmic recourse. One takeaway from our work is the importance of concretely defining end-tasks: once such an end-task is defined, a simple and direct approach of repeated model evaluations can outperform many other complex feature attribution methods.

Model attribution is a critical component of deep neural networks (DNNs) for its interpretability to complex models. Recent studies bring up attention to the security of attribution methods as they are vulnerable to attribution attacks that generate similar images with dramatically different attributions. Existing works have been investigating empirically improving the robustness of DNNs against those attacks; however, none of them explicitly quantifies the actual deviations of attributions. In this work, for the first time, a constrained optimization problem is formulated to derive an upper bound that measures the largest dissimilarity of attributions after the samples are perturbed by any noises within a certain region while the classification results remain the same. Based on the formulation, different practical approaches are introduced to bound the attributions above using Euclidean distance and cosine similarity under both ell_2 and ell_infty-norm perturbations constraints. The bounds developed by our theoretical study are validated on various datasets and two different types of attacks (PGD attack and IFIA attribution attack). Over 10 million attacks in the experiments indicate that the proposed upper bounds effectively quantify the robustness of models based on the worst-case attribution dissimilarities.

The increasing complexity of AI systems has made understanding their behavior a critical challenge. Numerous methods have been developed to attribute model behavior to three key aspects: input features, training data, and internal model components. However, these attribution methods are studied and applied rather independently, resulting in a fragmented landscape of approaches and terminology. This position paper argues that feature, data, and component attribution methods share fundamental similarities, and bridging them can benefit interpretability research. We conduct a detailed analysis of successful methods across three domains and present a unified view to demonstrate that these seemingly distinct methods employ similar approaches, such as perturbations, gradients, and linear approximations, differing primarily in their perspectives rather than core techniques. Our unified perspective enhances understanding of existing attribution methods, identifies shared concepts and challenges, makes this field more accessible to newcomers, and highlights new directions not only for attribution and interpretability but also for broader AI research, including model editing, steering, and regulation.

Recent research has demonstrated that feature attribution methods for deep networks can themselves be incorporated into training; these attribution priors optimize for a model whose attributions have certain desirable properties -- most frequently, that particular features are important or unimportant. These attribution priors are often based on attribution methods that are not guaranteed to satisfy desirable interpretability axioms, such as completeness and implementation invariance. Here, we introduce attribution priors to optimize for higher-level properties of explanations, such as smoothness and sparsity, enabled by a fast new attribution method formulation called expected gradients that satisfies many important interpretability axioms. This improves model performance on many real-world tasks where previous attribution priors fail. Our experiments show that the gains from combining higher-level attribution priors with expected gradients attributions are consistent across image, gene expression, and health care data sets. We believe this work motivates and provides the necessary tools to support the widespread adoption of axiomatic attribution priors in many areas of applied machine learning. The implementations and our results have been made freely available to academic communities.

Learning decompositions of expensive-to-evaluate black-box functions promises to scale Bayesian optimisation (BO) to high-dimensional problems. However, the success of these techniques depends on finding proper decompositions that accurately represent the black-box. While previous works learn those decompositions based on data, we investigate data-independent decomposition sampling rules in this paper. We find that data-driven learners of decompositions can be easily misled towards local decompositions that do not hold globally across the search space. Then, we formally show that a random tree-based decomposition sampler exhibits favourable theoretical guarantees that effectively trade off maximal information gain and functional mismatch between the actual black-box and its surrogate as provided by the decomposition. Those results motivate the development of the random decomposition upper-confidence bound algorithm (RDUCB) that is straightforward to implement - (almost) plug-and-play - and, surprisingly, yields significant empirical gains compared to the previous state-of-the-art on a comprehensive set of benchmarks. We also confirm the plug-and-play nature of our modelling component by integrating our method with HEBO, showing improved practical gains in the highest dimensional tasks from Bayesmark.

Training data attribution (TDA) methods aim to measure how training data impacts a model's predictions. While gradient-based attribution methods, such as influence functions, offer theoretical grounding, their computational costs make them impractical for large-scale applications. Representation-based approaches are far more scalable, but typically rely on heuristic embeddings that are not optimized for attribution, limiting their fidelity. To address these challenges, we propose AirRep, a scalable, representation-based approach that closes this gap by learning task-specific and model-aligned representations optimized explicitly for TDA. AirRep introduces two key innovations: a trainable encoder tuned for attribution quality, and an attention-based pooling mechanism that enables accurate estimation of group-wise influence. We train AirRep using a ranking objective over automatically constructed training subsets labeled by their empirical effect on target predictions. Experiments on instruction-tuned LLMs demonstrate that AirRep achieves performance on par with state-of-the-art gradient-based approaches while being nearly two orders of magnitude more efficient at inference time. Further analysis highlights its robustness and generalization across tasks and models. Our code is available at https://github.com/sunnweiwei/AirRep.

The goal of predictive data attribution is to estimate how adding or removing a given set of training datapoints will affect model predictions. In convex settings, this goal is straightforward (i.e., via the infinitesimal jackknife). In large-scale (non-convex) settings, however, existing methods are far less successful -- current methods' estimates often only weakly correlate with ground truth. In this work, we present a new data attribution method (MAGIC) that combines classical methods and recent advances in metadifferentiation to (nearly) optimally estimate the effect of adding or removing training data on model predictions.

Attribution methods can provide powerful insights into the reasons for a classifier's decision. We argue that a key desideratum of an explanation method is its robustness to input hyperparameters which are often randomly set or empirically tuned. High sensitivity to arbitrary hyperparameter choices does not only impede reproducibility but also questions the correctness of an explanation and impairs the trust of end-users. In this paper, we provide a thorough empirical study on the sensitivity of existing attribution methods. We found an alarming trend that many methods are highly sensitive to changes in their common hyperparameters e.g. even changing a random seed can yield a different explanation! Interestingly, such sensitivity is not reflected in the average explanation accuracy scores over the dataset as commonly reported in the literature. In addition, explanations generated for robust classifiers (i.e. which are trained to be invariant to pixel-wise perturbations) are surprisingly more robust than those generated for regular classifiers.

Attribution methods, which employ heatmaps to identify the most influential regions of an image that impact model decisions, have gained widespread popularity as a type of explainability method. However, recent research has exposed the limited practical value of these methods, attributed in part to their narrow focus on the most prominent regions of an image -- revealing "where" the model looks, but failing to elucidate "what" the model sees in those areas. In this work, we try to fill in this gap with CRAFT -- a novel approach to identify both "what" and "where" by generating concept-based explanations. We introduce 3 new ingredients to the automatic concept extraction literature: (i) a recursive strategy to detect and decompose concepts across layers, (ii) a novel method for a more faithful estimation of concept importance using Sobol indices, and (iii) the use of implicit differentiation to unlock Concept Attribution Maps. We conduct both human and computer vision experiments to demonstrate the benefits of the proposed approach. We show that the proposed concept importance estimation technique is more faithful to the model than previous methods. When evaluating the usefulness of the method for human experimenters on a human-centered utility benchmark, we find that our approach significantly improves on two of the three test scenarios. Our code is freely available at github.com/deel-ai/Craft.

Training Data Attribution (TDA) seeks to trace a model's predictions back to its training data. The gold standard for TDA relies on causal interventions, observing how a model changes when data is added or removed, but repeated retraining is computationally challenging for Large Language Models (LLMs). Consequently, most approaches approximate this effect in the parameter space using gradients. However, tracking gradients across billions of parameters is not only prohibitively expensive but relies on local approximations. In this work, we propose a shift: rather than estimating parameter changes, we model the functional effect of training data in the activation space. We introduce STRIDE (Steering-based Training Data Influence Decomposition), a framework that formulates TDA as a sparse recovery problem in the spirit of compressive sensing. STRIDE learns lightweight "steering operators" that mimic the behavioral shift caused by training on data subsets. By measuring how these operators perturb test predictions, we recover individual training example influences via sparse linear decomposition. STRIDE achieves state-of-the-art for LLM pre-training attribution while being an order of magnitude (13times) faster than previous art. We further validate its practical utility through downstream applications including data selection, data contamination, and qualitative analysis.

Image attribution algorithms aim to identify important regions that are highly relevant to model decisions. Although existing attribution solutions can effectively assign importance to target elements, they still face the following challenges: 1) existing attribution methods generate inaccurate small regions thus misleading the direction of correct attribution, and 2) the model cannot produce good attribution results for samples with wrong predictions. To address the above challenges, this paper re-models the above image attribution problem as a submodular subset selection problem, aiming to enhance model interpretability using fewer regions. To address the lack of attention to local regions, we construct a novel submodular function to discover more accurate small interpretation regions. To enhance the attribution effect for all samples, we also impose four different constraints on the selection of sub-regions, i.e., confidence, effectiveness, consistency, and collaboration scores, to assess the importance of various subsets. Moreover, our theoretical analysis substantiates that the proposed function is in fact submodular. Extensive experiments show that the proposed method outperforms SOTA methods on two face datasets (Celeb-A and VGG-Face2) and one fine-grained dataset (CUB-200-2011). For correctly predicted samples, the proposed method improves the Deletion and Insertion scores with an average of 4.9% and 2.5% gain relative to HSIC-Attribution. For incorrectly predicted samples, our method achieves gains of 81.0% and 18.4% compared to the HSIC-Attribution algorithm in the average highest confidence and Insertion score respectively. The code is released at https://github.com/RuoyuChen10/SMDL-Attribution.

Multi-agent systems (MAS) are critical for automating complex tasks, yet their practical deployment is severely hampered by the challenge of failure attribution. Current diagnostic tools, which rely on statistical correlations, are fundamentally inadequate; on challenging benchmarks like Who\&When, state-of-the-art methods achieve less than 15\% accuracy in locating the root-cause step of a failure. To address this critical gap, we introduce the first failure attribution framework for MAS grounded in multi-granularity causal inference. Our approach makes two key technical contributions: (1) a performance causal inversion principle, which correctly models performance dependencies by reversing the data flow in execution logs, combined with Shapley values to accurately assign agent-level blame; (2) a novel causal discovery algorithm, CDC-MAS, that robustly identifies critical failure steps by tackling the non-stationary nature of MAS interaction data. The framework's attribution results directly fuel an automated optimization loop, generating targeted suggestions whose efficacy is validated via counterfactual simulations. Evaluations on the Who\&When and TRAIL benchmarks demonstrate a significant leap in performance. Our method achieves up to 36.2\% step-level accuracy. Crucially, the generated optimizations boost overall task success rates by an average of 22.4\%. This work provides a principled and effective solution for debugging complex agent interactions, paving the way for more reliable and interpretable multi-agent systems.

Causal representation learning aims to unveil latent high-level causal representations from observed low-level data. One of its primary tasks is to provide reliable assurance of identifying these latent causal models, known as identifiability. A recent breakthrough explores identifiability by leveraging the change of causal influences among latent causal variables across multiple environments liu2022identifying. However, this progress rests on the assumption that the causal relationships among latent causal variables adhere strictly to linear Gaussian models. In this paper, we extend the scope of latent causal models to involve nonlinear causal relationships, represented by polynomial models, and general noise distributions conforming to the exponential family. Additionally, we investigate the necessity of imposing changes on all causal parameters and present partial identifiability results when part of them remains unchanged. Further, we propose a novel empirical estimation method, grounded in our theoretical finding, that enables learning consistent latent causal representations. Our experimental results, obtained from both synthetic and real-world data, validate our theoretical contributions concerning identifiability and consistency.

Trajectory-based data attribution methods estimate the influence of training samples on model predictions by unrolling the training trajectory. They are widely used in applications such as data selection, data valuation, and model diagnosis, but there is a lack of comprehensive error analysis of these methods, raising concerns about method faithfulness and hindering reliable deployment. In this work, we provide the first systematic analysis of error sources in trajectory-based data attribution, together with concrete remedies to mitigate them and practical guidelines for downstream use. We organize the total error into three categories, config-level, algorithm-level, and system-level. We make three contributions. First, we identify optimizer mismatch as the dominant config-level error: existing methods derive their attribution under the assumption of SGD, even for models trained with the modern de facto optimizer AdamW. We propose AdamW-influence to fully account for AdamW's optimization dynamics, yielding improvements from 10% to over 300% in Spearman correlation between estimated and ground-truth influence across four settings spanning MLP, CNN, GPT-2, and Llama 3.2-1B. Second, we isolate the remaining algorithm-level error arising from the first-order Taylor approximation, identify the learning rate and trajectory length as factors governing the error magnitude, and derive a closed-form error proxy that can be evaluated along the original trajectory without retraining. Third, we translate these insights into practical guidelines for data selection by unifying offline and online strategies under a K-step look-ahead framework. Under this framework, online selection with a short horizon often matches or exceeds offline, and the optimal horizon can be tuned jointly with the learning rate. Together, these results turn the framework into an actionable selection recipe for practitioners.

Recent advancements in long-context modeling have enhanced language models (LMs) for complex tasks across multiple NLP applications. Despite this progress, we find that these models struggle with multi-hop reasoning and exhibit decreased performance in the presence of noisy contexts. In this paper, we introduce Reasoning with Attributions, a novel approach that prompts LMs to supply attributions for each assertion during their reasoning. We validate our approach through experiments on three multi-hop datasets, employing both proprietary and open-source models, and demonstrate its efficacy and resilience. Furthermore, we explore methods to augment reasoning capabilities via fine-tuning and offer an attribution-annotated dataset and a specialized training strategy. Our fine-tuned model achieves competitive performance on multi-hop reasoning benchmarks, closely paralleling proprietary LMs such as ChatGPT and Claude-instant.

We describe a novel attribution method which is grounded in Sensitivity Analysis and uses Sobol indices. Beyond modeling the individual contributions of image regions, Sobol indices provide an efficient way to capture higher-order interactions between image regions and their contributions to a neural network's prediction through the lens of variance. We describe an approach that makes the computation of these indices efficient for high-dimensional problems by using perturbation masks coupled with efficient estimators to handle the high dimensionality of images. Importantly, we show that the proposed method leads to favorable scores on standard benchmarks for vision (and language models) while drastically reducing the computing time compared to other black-box methods -- even surpassing the accuracy of state-of-the-art white-box methods which require access to internal representations. Our code is freely available: https://github.com/fel-thomas/Sobol-Attribution-Method

Interpretability tools are increasingly used to analyze failures of Large Language Models (LLMs), yet prior work largely focuses on short prompts or toy settings, leaving their behavior on commonly used benchmarks underexplored. To address this gap, we study contrastive, LRP-based attribution as a practical tool for analyzing LLM failures in realistic settings. We formulate failure analysis as contrastive attribution, attributing the logit difference between an incorrect output token and a correct alternative to input tokens and internal model states, and introduce an efficient extension that enables construction of cross-layer attribution graphs for long-context inputs. Using this framework, we conduct a systematic empirical study across benchmarks, comparing attribution patterns across datasets, model sizes, and training checkpoints. Our results show that this token-level contrastive attribution can yield informative signals in some failure cases, but is not universally applicable, highlighting both its utility and its limitations for realistic LLM failure analysis. Our code is available at: https://aka.ms/Debug-XAI.

Post-hoc attribution methods aim to explain deep learning predictions by highlighting influential input pixels. However, these explanations are highly non-robust: small, imperceptible input perturbations can drastically alter the attribution map while maintaining the same prediction. This vulnerability undermines their trustworthiness and calls for rigorous robustness guarantees of pixel-level attribution scores. We introduce the first certification framework that guarantees pixel-level robustness for any black-box attribution method using randomized smoothing. By sparsifying and smoothing attribution maps, we reformulate the task as a segmentation problem and certify each pixel's importance against ell_2-bounded perturbations. We further propose three evaluation metrics to assess certified robustness, localization, and faithfulness. An extensive evaluation of 12 attribution methods across 5 ImageNet models shows that our certified attributions are robust, interpretable, and faithful, enabling reliable use in downstream tasks. Our code is at https://github.com/AlaaAnani/certified-attributions.

While the evaluation of explanations is an important step towards trustworthy models, it needs to be done carefully, and the employed metrics need to be well-understood. Specifically model randomization testing is often overestimated and regarded as a sole criterion for selecting or discarding certain explanation methods. To address shortcomings of this test, we start by observing an experimental gap in the ranking of explanation methods between randomization-based sanity checks [1] and model output faithfulness measures (e.g. [25]). We identify limitations of model-randomization-based sanity checks for the purpose of evaluating explanations. Firstly, we show that uninformative attribution maps created with zero pixel-wise covariance easily achieve high scores in this type of checks. Secondly, we show that top-down model randomization preserves scales of forward pass activations with high probability. That is, channels with large activations have a high probility to contribute strongly to the output, even after randomization of the network on top of them. Hence, explanations after randomization can only be expected to differ to a certain extent. This explains the observed experimental gap. In summary, these results demonstrate the inadequacy of model-randomization-based sanity checks as a criterion to rank attribution methods.

We study the problem of attributing the prediction of a deep network to its input features, a problem previously studied by several other works. We identify two fundamental axioms---Sensitivity and Implementation Invariance that attribution methods ought to satisfy. We show that they are not satisfied by most known attribution methods, which we consider to be a fundamental weakness of those methods. We use the axioms to guide the design of a new attribution method called Integrated Gradients. Our method requires no modification to the original network and is extremely simple to implement; it just needs a few calls to the standard gradient operator. We apply this method to a couple of image models, a couple of text models and a chemistry model, demonstrating its ability to debug networks, to extract rules from a network, and to enable users to engage with models better.

Interpreting the inner function of neural networks is crucial for the trustworthy development and deployment of these black-box models. Prior interpretability methods focus on correlation-based measures to attribute model decisions to individual examples. However, these measures are susceptible to noise and spurious correlations encoded in the model during the training phase (e.g., biased inputs, model overfitting, or misspecification). Moreover, this process has proven to result in noisy and unstable attributions that prevent any transparent understanding of the model's behavior. In this paper, we develop a robust interventional-based method grounded by causal analysis to capture cause-effect mechanisms in pre-trained neural networks and their relation to the prediction. Our novel approach relies on path interventions to infer the causal mechanisms within hidden layers and isolate relevant and necessary information (to model prediction), avoiding noisy ones. The result is task-specific causal explanatory graphs that can audit model behavior and express the actual causes underlying its performance. We apply our method to vision models trained on classification tasks. On image classification tasks, we provide extensive quantitative experiments to show that our approach can capture more stable and faithful explanations than standard attribution-based methods. Furthermore, the underlying causal graphs reveal the neural interactions in the model, making it a valuable tool in other applications (e.g., model repair).

Various XAI attribution methods have been recently proposed for the transformer architecture, allowing for insights into the decision-making process of large language models by assigning importance scores to input tokens and intermediate representations. One class of methods that seems very promising in this direction includes decomposition-based approaches, i.e., XAI-methods that redistribute the model's prediction logit through the network, as this value is directly related to the prediction. In the previous literature we note though that two prominent methods of this category, namely ALTI-Logit and LRP, have not yet been analyzed in juxtaposition and hence we propose to close this gap by conducting a careful quantitative evaluation w.r.t. ground truth annotations on a subject-verb agreement task, as well as various qualitative inspections, using BERT, GPT-2 and LLaMA-3 as a testbed. Along the way we compare and extend the ALTI-Logit and LRP methods, including the recently proposed AttnLRP variant, from an algorithmic and implementation perspective. We further incorporate in our benchmark two widely-used gradient-based attribution techniques. Finally, we make our carefullly constructed benchmark dataset for evaluating attributions on language models, as well as our code, publicly available in order to foster evaluation of XAI-methods on a well-defined common ground.

Interpretability is an important area of research for safe deployment of machine learning systems. One particular type of interpretability method attributes model decisions to input features. Despite active development, quantitative evaluation of feature attribution methods remains difficult due to the lack of ground truth: we do not know which input features are in fact important to a model. In this work, we propose a framework for Benchmarking Attribution Methods (BAM) with a priori knowledge of relative feature importance. BAM includes 1) a carefully crafted dataset and models trained with known relative feature importance and 2) three complementary metrics to quantitatively evaluate attribution methods by comparing feature attributions between pairs of models and pairs of inputs. Our evaluation on several widely-used attribution methods suggests that certain methods are more likely to produce false positive explanations---features that are incorrectly attributed as more important to model prediction. We open source our dataset, models, and metrics.

The study of the attribution of input features to the output of neural network models is an active area of research. While numerous Explainable AI (XAI) techniques have been proposed to interpret these models, the systematic and automated evaluation of these methods in sequence-to-sequence (seq2seq) models is less explored. This paper introduces a new approach for evaluating explainability methods in transformer-based seq2seq models. We use teacher-derived attribution maps as a structured side signal to guide a student model, and quantify the utility of different attribution methods through the student's ability to simulate targets. Using the Inseq library, we extract attribution scores over source-target sequence pairs and inject these scores into the attention mechanism of a student transformer model under four composition operators (addition, multiplication, averaging, and replacement). Across three language pairs (de-en, fr-en, ar-en) and attributions from Marian-MT and mBART models, Attention, Value Zeroing, and Layer Gradient times Activation consistently yield the largest gains in BLEU (and corresponding improvements in chrF) relative to baselines. In contrast, other gradient-based methods (Saliency, Integrated Gradients, DeepLIFT, Input times Gradient, GradientShap) lead to smaller and less consistent improvements. These results suggest that different attribution methods capture distinct signals and that attention-derived attributions better capture alignment between source and target representations in seq2seq models. Finally, we introduce an Attributor transformer that, given a source-target pair, learns to reconstruct the teacher's attribution map. Our findings demonstrate that the more accurately the Attributor can reproduce attribution maps, the more useful an injection of those maps is for the downstream task. The source code can be found on GitHub.

Small language models (SLMs) are widely used in tasks that require low latency and lightweight deployment, particularly classification. As interpretability and robustness gain increasing importance, explanation-guided learning has emerged as an effective framework by introducing attribution-based supervision during training; however, deriving general and reliable attribution priors remains a significant challenge. Through an analysis of representative attribution methods in classification settings, we find that although these methods can reliably highlight class-relevant tokens, they often focus on common keywords shared by semantically similar classes. Because such classes are already difficult to distinguish under standard training, these attributions provide insufficient discriminative cues, limiting their ability to improve model differentiation. To overcome this limitation, we propose Class-Aware Attribution Prior (CAP), a novel attribution prior extraction framework that guides language models toward capturing fine-grained class distinctions and producing more salient, discriminative attribution priors. Building on this idea, we further introduce CAP Hybrid, which combines priors from CAP with those from existing attribution techniques to form a more comprehensive and balanced supervisory signal. By aligning a model's self-attribution with these enriched priors, our approach encourages the learning of diverse, decision-relevant features. Extensive experiments in full-data, few-shot, and adversarial scenarios demonstrate that our method consistently enhances both interpretability and robustness.

Model attributions are important in deep neural networks as they aid practitioners in understanding the models, but recent studies reveal that attributions can be easily perturbed by adding imperceptible noise to the input. The non-differentiable Kendall's rank correlation is a key performance index for attribution protection. In this paper, we first show that the expected Kendall's rank correlation is positively correlated to cosine similarity and then indicate that the direction of attribution is the key to attribution robustness. Based on these findings, we explore the vector space of attribution to explain the shortcomings of attribution defense methods using ell_p norm and propose integrated gradient regularizer (IGR), which maximizes the cosine similarity between natural and perturbed attributions. Our analysis further exposes that IGR encourages neurons with the same activation states for natural samples and the corresponding perturbed samples, which is shown to induce robustness to gradient-based attribution methods. Our experiments on different models and datasets confirm our analysis on attribution protection and demonstrate a decent improvement in adversarial robustness.

Activation Patching is a method of directly computing causal attributions of behavior to model components. However, applying it exhaustively requires a sweep with cost scaling linearly in the number of model components, which can be prohibitively expensive for SoTA Large Language Models (LLMs). We investigate Attribution Patching (AtP), a fast gradient-based approximation to Activation Patching and find two classes of failure modes of AtP which lead to significant false negatives. We propose a variant of AtP called AtP*, with two changes to address these failure modes while retaining scalability. We present the first systematic study of AtP and alternative methods for faster activation patching and show that AtP significantly outperforms all other investigated methods, with AtP* providing further significant improvement. Finally, we provide a method to bound the probability of remaining false negatives of AtP* estimates.

Large vision-language models (LVLMs) achieve impressive performance, yet their internal decision-making processes remain opaque, making it difficult to determine if the success stems from true multimodal fusion or from reliance on unimodal priors. To address this attribution gap, we introduce a novel framework using partial information decomposition (PID) to quantitatively measure the "information spectrum" of LVLMs -- decomposing a model's decision-relevant information into redundant, unique, and synergistic components. By adapting a scalable estimator to modern LVLM outputs, our model-agnostic pipeline profiles 26 LVLMs on four datasets across three dimensions -- breadth (cross-model & cross-task), depth (layer-wise information dynamics), and time (learning dynamics across training). Our analysis reveals two key results: (i) two task regimes (synergy-driven vs. knowledge-driven) and (ii) two stable, contrasting family-level strategies (fusion-centric vs. language-centric). We also uncover a consistent three-phase pattern in layer-wise processing and identify visual instruction tuning as the key stage where fusion is learned. Together, these contributions provide a quantitative lens beyond accuracy-only evaluation and offer insights for analyzing and designing the next generation of LVLMs. Code and data are available at https://github.com/RiiShin/pid-lvlm-analysis .

We present ACAR (Adaptive Complexity and Attribution Routing), a measurement framework for studying multi-model orchestration under auditable conditions. ACAR uses self-consistency variance (sigma) computed from N=3 probe samples to route tasks across single-model, two-model, and three-model execution modes. The system is implemented on top of TEAMLLM, a deterministic execution substrate with immutable artifacts and complete decision traces. We evaluate ACAR on 1,510 tasks spanning four benchmarks: MathArena, Reasoning Gym, LiveCodeBench, and SuperGPQA, using Claude Sonnet 4, GPT-4o, and Gemini 2.0 Flash, producing more than 7,550 auditable runs. Results show that sigma-based routing achieves 55.6 percent accuracy, exceeding the two-model baseline of 54.4 percent while avoiding full ensembling on 54.2 percent of tasks. The routing mechanism is model-agnostic and requires no learned components. We also document negative results. First, retrieval augmentation reduced accuracy by 3.4 percentage points, as median retrieval similarity was only 0.167, demonstrating that experience injection without semantic alignment introduces noise rather than grounding. Second, when models agree on incorrect answers (sigma equals zero), no downstream ensemble can recover; this agreement-but-wrong failure mode is intrinsic to self-consistency and bounds achievable accuracy at approximately eight percentage points below full ensembling. Third, attribution estimates based on proxy signals such as response similarity and entropy showed weak correlation with ground-truth leave-one-out values, indicating that practical attribution requires explicit counterfactual computation. This work documents which assumptions fail in practice and provides falsifiable baselines for future research on routing, retrieval, and multi-model attribution.

Multi-attribution learning (MAL), which enhances model performance by learning from conversion labels yielded by multiple attribution mechanisms, has emerged as a promising learning paradigm for conversion rate (CVR) prediction. However, the conversion labels in public CVR datasets are generated by a single attribution mechanism, hindering the development of MAL approaches. To address this data gap, we establish the Multi-Attribution Benchmark (MAC), the first public CVR dataset featuring labels from multiple attribution mechanisms. Besides, to promote reproducible research on MAL, we develop PyMAL, an open-source library covering a wide array of baseline methods. We conduct comprehensive experimental analyses on MAC and reveal three key insights: (1) MAL brings consistent performance gains across different attribution settings, especially for users featuring long conversion paths. (2) The performance growth scales up with objective complexity in most settings; however, when predicting first-click conversion targets, simply adding auxiliary objectives is counterproductive, underscoring the necessity of careful selection of auxiliary objectives. (3) Two architectural design principles are paramount: first, to fully learn the multi-attribution knowledge, and second, to fully leverage this knowledge to serve the main task. Motivated by these findings, we propose Mixture of Asymmetric Experts (MoAE), an effective MAL approach incorporating multi-attribution knowledge learning and main task-centric knowledge utilization. Experiments on MAC show that MoAE substantially surpasses the existing state-of-the-art MAL method. We believe that our benchmark and insights will foster future research in the MAL field. Our MAC benchmark and the PyMAL algorithm library are publicly available at https://github.com/alimama-tech/PyMAL.

Self-supervised learning (SSL) pipelines differ in many design choices such as the architecture, augmentations, or pretraining data. Yet SSL is typically evaluated using a single metric: linear probing on ImageNet. This does not provide much insight into why or when a model is better, now how to improve it. To address this, we propose an SSL risk decomposition, which generalizes the classical supervised approximation-estimation decomposition by considering errors arising from the representation learning step. Our decomposition consists of four error components: approximation, representation usability, probe generalization, and encoder generalization. We provide efficient estimators for each component and use them to analyze the effect of 30 design choices on 169 SSL vision models evaluated on ImageNet. Our analysis gives valuable insights for designing and using SSL models. For example, it highlights the main sources of error and shows how to improve SSL in specific settings (full- vs few-shot) by trading off error components. All results and pretrained models are at https://github.com/YannDubs/SSL-Risk-Decomposition.

Perturbation-based post-hoc image explanation methods are commonly used to explain image prediction models. These methods perturb parts of the input to measure how those parts affect the output. Since the methods only require the input and output, they can be applied to any model, making them a popular choice to explain black-box models. While many different methods exist and have been compared with one another, it remains poorly understood which parameters of the different methods are responsible for their varying performance. This work uses the Randomized Input Sampling for Explanations (RISE) method as a baseline to evaluate many combinations of mask sampling, segmentation techniques, smoothing, attribution calculation, and per-segment or per-pixel attribution, using a proxy metric. The results show that attribution calculation, which is frequently the focus of other works, has little impact on the results. Conversely, segmentation and per-pixel attribution, rarely examined parameters, have a significant impact. The implementation of and data gathered in this work are available online: https://github.com/guspih/post-hoc-image-perturbation and https://bit.ly/smooth-mask-perturbation.

Neural networks have shown remarkable performance in computer vision, but their deployment in numerous scientific and technical fields is challenging due to their black-box nature. Scientists and practitioners need to evaluate the reliability of a decision, i.e., to know simultaneously if a model relies on the relevant features and whether these features are robust to image corruptions. Existing attribution methods aim to provide human-understandable explanations by highlighting important regions in the image domain, but fail to fully characterize a decision process's reliability. To bridge this gap, we introduce the Wavelet sCale Attribution Method (WCAM), a generalization of attribution from the pixel domain to the space-scale domain using wavelet transforms. Attribution in the wavelet domain reveals where {\it and} on what scales the model focuses, thus enabling us to assess whether a decision is reliable.

Amid a discussion about Green AI in which we see explainability neglected, we explore the possibility to efficiently approximate computationally expensive explainers. To this end, we propose feature attribution modelling with Empirical Explainers. Empirical Explainers learn from data to predict the attribution maps of expensive explainers. We train and test Empirical Explainers in the language domain and find that they model their expensive counterparts surprisingly well, at a fraction of the cost. They could thus mitigate the computational burden of neural explanations significantly, in applications that tolerate an approximation error.

Practical identifiability is a critical concern in data-driven modeling of mathematical systems. In this paper, we propose a novel framework for practical identifiability analysis to evaluate parameter identifiability in mathematical models of biological systems. Starting with a rigorous mathematical definition of practical identifiability, we demonstrate its equivalence to the invertibility of the Fisher Information Matrix. Our framework establishes the relationship between practical identifiability and coordinate identifiability, introducing a novel metric that simplifies and accelerates the evaluation of parameter identifiability compared to the profile likelihood method. Additionally, we introduce new regularization terms to address non-identifiable parameters, enabling uncertainty quantification and improving model reliability. To guide experimental design, we present an optimal data collection algorithm that ensures all model parameters are practically identifiable. Applications to Hill functions, neural networks, and dynamic biological models demonstrate the feasibility and efficiency of the proposed computational framework in uncovering critical biological processes and identifying key observable variables.

As deep vision models' popularity rapidly increases, there is a growing emphasis on explanations for model predictions. The inherently explainable attribution method aims to enhance the understanding of model behavior by identifying the important regions in images that significantly contribute to predictions. It is achieved by cooperatively training a selector (generating an attribution map to identify important features) and a predictor (making predictions using the identified features). Despite many advancements, existing methods suffer from the incompleteness problem, where discriminative features are masked out, and the interlocking problem, where the non-optimized selector initially selects noise, causing the predictor to fit on this noise and perpetuate the cycle. To address these problems, we introduce a new objective that discourages the presence of discriminative features in the masked-out regions thus enhancing the comprehensiveness of feature selection. A pre-trained detector is introduced to detect discriminative features in the masked-out region. If the selector selects noise instead of discriminative features, the detector can observe and break the interlocking situation by penalizing the selector. Extensive experiments show that our model makes accurate predictions with higher accuracy than the regular black-box model, and produces attribution maps with high feature coverage, localization ability, fidelity and robustness. Our code will be available at https://github.com/Zood123/COMET{https://github.com/Zood123/COMET}.

We present IXAM, an Interactive eXplainability framework for Authorship Attribution Models. Given an authorship attribution (AA) task and an embedding-based AA model, our tool enables users to interactively explore the model's embedding space and construct an explanation of the model's prediction as a set of writing style features at different levels of granularity. Through a user evaluation, we demonstrate the value of our framework compared to predefined stylistic explanations.

We study the class of location-scale or heteroscedastic noise models (LSNMs), in which the effect Y can be written as a function of the cause X and a noise source N independent of X, which may be scaled by a positive function g over the cause, i.e., Y = f(X) + g(X)N. Despite the generality of the model class, we show the causal direction is identifiable up to some pathological cases. To empirically validate these theoretical findings, we propose two estimators for LSNMs: an estimator based on (non-linear) feature maps, and one based on neural networks. Both model the conditional distribution of Y given X as a Gaussian parameterized by its natural parameters. When the feature maps are correctly specified, we prove that our estimator is jointly concave, and a consistent estimator for the cause-effect identification task. Although the the neural network does not inherit those guarantees, it can fit functions of arbitrary complexity, and reaches state-of-the-art performance across benchmarks.

How does the internal computation of a machine learning model transform inputs into predictions? In this paper, we introduce a task called component modeling that aims to address this question. The goal of component modeling is to decompose an ML model's prediction in terms of its components -- simple functions (e.g., convolution filters, attention heads) that are the "building blocks" of model computation. We focus on a special case of this task, component attribution, where the goal is to estimate the counterfactual impact of individual components on a given prediction. We then present COAR, a scalable algorithm for estimating component attributions; we demonstrate its effectiveness across models, datasets, and modalities. Finally, we show that component attributions estimated with COAR directly enable model editing across five tasks, namely: fixing model errors, ``forgetting'' specific classes, boosting subpopulation robustness, localizing backdoor attacks, and improving robustness to typographic attacks. We provide code for COAR at https://github.com/MadryLab/modelcomponents .

Rigorousness and clarity are both essential for interpretations of DNNs to engender human trust. Path methods are commonly employed to generate rigorous attributions that satisfy three axioms. However, the meaning of attributions remains ambiguous due to distinct path choices. To address the ambiguity, we introduce Concentration Principle, which centrally allocates high attributions to indispensable features, thereby endowing aesthetic and sparsity. We then present SAMP, a model-agnostic interpreter, which efficiently searches the near-optimal path from a pre-defined set of manipulation paths. Moreover, we propose the infinitesimal constraint (IC) and momentum strategy (MS) to improve the rigorousness and optimality. Visualizations show that SAMP can precisely reveal DNNs by pinpointing salient image pixels. We also perform quantitative experiments and observe that our method significantly outperforms the counterparts. Code: https://github.com/zbr17/SAMP.

Low-rank decomposition has emerged as a vital tool for enhancing parameter efficiency in neural network architectures, gaining traction across diverse applications in machine learning. These techniques significantly lower the number of parameters, striking a balance between compactness and performance. However, a common challenge has been the compromise between parameter efficiency and the accuracy of the model, where reduced parameters often lead to diminished accuracy compared to their full-rank counterparts. In this work, we propose a novel theoretical framework that integrates a sinusoidal function within the low-rank decomposition process. This approach not only preserves the benefits of the parameter efficiency characteristic of low-rank methods but also increases the decomposition's rank, thereby enhancing model performance. Our method proves to be a plug in enhancement for existing low-rank models, as evidenced by its successful application in Vision Transformers (ViT), Large Language Models (LLMs), Neural Radiance Fields (NeRF) and 3D shape modelling.

AI generative models leave implicit traces in their generated images, which are commonly referred to as model fingerprints and are exploited for source attribution. Prior methods rely on model-specific cues or synthesis artifacts, yielding limited fingerprints that may generalize poorly across different generative models. We argue that a complete model fingerprint should reflect the causality between image provenance and model traces, a direction largely unexplored. To this end, we conceptualize the causal fingerprint of generative models, and propose a causality-decoupling framework that disentangles it from image-specific content and style in a semantic-invariant latent space derived from pre-trained diffusion reconstruction residual. We further enhance fingerprint granularity with diverse feature representations. We validate causality by assessing attribution performance across representative GANs and diffusion models and by achieving source anonymization using counterfactual examples generated from causal fingerprints. Experiments show our approach outperforms existing methods in model attribution, indicating strong potential for forgery detection, model copyright tracing, and identity protection.

Over the last decade, explainable AI has primarily focused on interpreting individual model predictions, producing post-hoc explanations that relate inputs to outputs under a fixed decision structure. Recent advances in large language models (LLMs) have enabled agentic AI systems whose behaviour unfolds over multi-step trajectories. In these settings, success and failure are determined by sequences of decisions rather than a single output. While useful, it remains unclear how explanation approaches designed for static predictions translate to agentic settings where behaviour emerges over time. In this work, we bridge the gap between static and agentic explainability by comparing attribution-based explanations with trace-based diagnostics across both settings. To make this distinction explicit, we empirically compare attribution-based explanations used in static classification tasks with trace-based diagnostics used in agentic benchmarks (TAU-bench Airline and AssistantBench). Our results show that while attribution methods achieve stable feature rankings in static settings (Spearman ρ= 0.86), they cannot be applied reliably to diagnose execution-level failures in agentic trajectories. In contrast, trace-grounded rubric evaluation for agentic settings consistently localizes behaviour breakdowns and reveals that state tracking inconsistency is 2.7times more prevalent in failed runs and reduces success probability by 49\%. These findings motivate a shift towards trajectory-level explainability for agentic systems when evaluating and diagnosing autonomous AI behaviour. Resources: https://github.com/VectorInstitute/unified-xai-evaluation-framework https://vectorinstitute.github.io/unified-xai-evaluation-framework

Tucker decomposition is a powerful tensor model to handle multi-aspect data. It demonstrates the low-rank property by decomposing the grid-structured data as interactions between a core tensor and a set of object representations (factors). A fundamental assumption of such decomposition is that there are finite objects in each aspect or mode, corresponding to discrete indexes of data entries. However, real-world data is often not naturally posed in this setting. For example, geographic data is represented as continuous indexes of latitude and longitude coordinates, and cannot fit tensor models directly. To generalize Tucker decomposition to such scenarios, we propose Functional Bayesian Tucker Decomposition (FunBaT). We treat the continuous-indexed data as the interaction between the Tucker core and a group of latent functions. We use Gaussian processes (GP) as functional priors to model the latent functions. Then, we convert each GP into a state-space prior by constructing an equivalent stochastic differential equation (SDE) to reduce computational cost. An efficient inference algorithm is developed for scalable posterior approximation based on advanced message-passing techniques. The advantage of our method is shown in both synthetic data and several real-world applications. We release the code of FunBaT at https://github.com/xuangu-fang/Functional-Bayesian-Tucker-Decomposition.

State-of-the-art performance in QA tasks is currently achieved by systems employing Large Language Models (LLMs), however these models tend to hallucinate information in their responses. One approach focuses on enhancing the generation process by incorporating attribution from the given input to the output. However, the challenge of identifying appropriate attributions and verifying their accuracy against a source is a complex task that requires significant improvements in assessing such systems. We introduce an attribution-oriented Chain-of-Thought reasoning method to enhance the accuracy of attributions. This approach focuses the reasoning process on generating an attribution-centric output. Evaluations on two context-enhanced question-answering datasets using GPT-4 demonstrate improved accuracy and correctness of attributions. In addition, the combination of our method with finetuning enhances the response and attribution accuracy of two smaller LLMs, showing their potential to outperform GPT-4 in some cases.

Advanced Persistent Threat (APT) attribution is a critical challenge in cybersecurity and implies the process of accurately identifying the perpetrators behind sophisticated cyber attacks. It can significantly enhance defense mechanisms and inform strategic responses. With the growing prominence of artificial intelligence (AI) and machine learning (ML) techniques, researchers are increasingly focused on developing automated solutions to link cyber threats to responsible actors, moving away from traditional manual methods. Previous literature on automated threat attribution lacks a systematic review of automated methods and relevant artifacts that can aid in the attribution process. To address these gaps and provide context on the current state of threat attribution, we present a comprehensive survey of automated APT attribution. The presented survey starts with understanding the dispersed artifacts and provides a comprehensive taxonomy of the artifacts that aid in attribution. We comprehensively review and present the classification of the available attribution datasets and current automated APT attribution methods. Further, we raise critical comments on current literature methods, discuss challenges in automated attribution, and direct toward open research problems. This survey reveals significant opportunities for future research in APT attribution to address current gaps and challenges. By identifying strengths and limitations in current practices, this survey provides a foundation for future research and development in automated, reliable, and actionable APT attribution methods.

In a striking neuroscience study, the authors placed a dead salmon in an MRI scanner and showed it images of humans in social situations. Astonishingly, standard analyses of the time reported brain regions predictive of social emotions. The explanation, of course, was not supernatural cognition but a cautionary tale about misapplied statistical inference. In AI interpretability, reports of similar ''dead salmon'' artifacts abound: feature attribution, probing, sparse auto-encoding, and even causal analyses can produce plausible-looking explanations for randomly initialized neural networks. In this work, we examine this phenomenon and argue for a pragmatic statistical-causal reframing: explanations of computational systems should be treated as parameters of a (statistical) model, inferred from computational traces. This perspective goes beyond simply measuring statistical variability of explanations due to finite sampling of input data; interpretability methods become statistical estimators, and findings should be tested against explicit and meaningful alternative computational hypotheses, with uncertainty quantified with respect to the postulated statistical model. It also highlights important theoretical issues, such as the identifiability of common interpretability queries, which we argue is critical to understand the field's susceptibility to false discoveries, poor generalizability, and high variance. More broadly, situating interpretability within the standard toolkit of statistical inference opens promising avenues for future work aimed at turning AI interpretability into a pragmatic and rigorous science.

Modern generative search engines enhance the reliability of large language model (LLM) responses by providing cited evidence. However, evaluating the answer's attribution, i.e., whether every claim within the generated responses is fully supported by its cited evidence, remains an open problem. This verification, traditionally dependent on costly human evaluation, underscores the urgent need for automatic attribution evaluation methods. To bridge the gap in the absence of standardized benchmarks for these methods, we present AttributionBench, a comprehensive benchmark compiled from various existing attribution datasets. Our extensive experiments on AttributionBench reveal the challenges of automatic attribution evaluation, even for state-of-the-art LLMs. Specifically, our findings show that even a fine-tuned GPT-3.5 only achieves around 80% macro-F1 under a binary classification formulation. A detailed analysis of more than 300 error cases indicates that a majority of failures stem from the model's inability to process nuanced information, and the discrepancy between the information the model has access to and that human annotators do.

Causal discovery, the process of recovering underlying causal structures from observational data, is a fundamental pursuit across scientific disciplines. Over the past decades, numerous algorithms have been developed to tackle this challenge through workflows tailored to the specific causal mechanisms underlying each type of dataset, demonstrating effectiveness across a wide range of applications. However, as the volume and heterogeneity of real-world data continue to grow, this dataset-specific approach inevitably leads to a fragmented, test-driven paradigm that struggles to scale to the demands of modern scientific discovery. To address this, we formulate the Causal Discovery Foundation Model (CDFM) as a unified, general-purpose framework for zero-shot structural inference. To ensure reliable generalization across unknown domains, we first investigate the theoretical boundaries of causal identifiability, revealing the indispensable role of causal prior mechanisms in this process. Building on these insights, we formulate a principled variational framework that treats unknown causal mechanisms as latent variables and mathematically decomposes the intractable marginal likelihood into distinct, tractable learning modules. The variational decomposition provides a conceptual design principle for the architecture design of CDFM, while comprehensive causal knowledge guides the large-scale synthesis of our pretraining data. By pretraining on a massive, highly diverse space of synthetic structural causal models, CDFM successfully internalizes complex statistical asymmetries. Extensive experiments demonstrate that CDFM consistently outperforms traditional algorithms, driving a paradigm shift toward a general-purpose causal discovery foundation model.

We investigate statistical properties of a likelihood approach to nonparametric estimation of a singular distribution using deep generative models. More specifically, a deep generative model is used to model high-dimensional data that are assumed to concentrate around some low-dimensional structure. Estimating the distribution supported on this low-dimensional structure, such as a low-dimensional manifold, is challenging due to its singularity with respect to the Lebesgue measure in the ambient space. In the considered model, a usual likelihood approach can fail to estimate the target distribution consistently due to the singularity. We prove that a novel and effective solution exists by perturbing the data with an instance noise, which leads to consistent estimation of the underlying distribution with desirable convergence rates. We also characterize the class of distributions that can be efficiently estimated via deep generative models. This class is sufficiently general to contain various structured distributions such as product distributions, classically smooth distributions and distributions supported on a low-dimensional manifold. Our analysis provides some insights on how deep generative models can avoid the curse of dimensionality for nonparametric distribution estimation. We conduct a thorough simulation study and real data analysis to empirically demonstrate that the proposed data perturbation technique improves the estimation performance significantly.

Large Language Model (LLM)-based agents are widely used in real-world applications such as customer service, web navigation, and software engineering. As these systems become more autonomous and are deployed at scale, understanding why an agent takes a particular action becomes increasingly important for accountability and governance. However, existing research predominantly focuses on failure attribution to localize explicit errors in unsuccessful trajectories, which is insufficient for explaining the reason behind agent behaviors. To bridge this gap, we propose a novel framework for general agentic attribution, designed to identify the internal factors driving agent actions regardless of the task outcome. Our framework operates hierarchically to manage the complexity of agent interactions. Specifically, at the component level, we employ temporal likelihood dynamics to identify critical interaction steps; then at the sentence level, we refine this localization using perturbation-based analysis to isolate the specific textual evidence. We validate our framework across a diverse suite of agentic scenarios, including standard tool use and subtle reliability risks like memory-induced bias. Experimental results demonstrate that the proposed framework reliably pinpoints pivotal historical events and sentences behind the agent behavior, offering a critical step toward safer and more accountable agentic systems. Codes are available at https://github.com/AI45Lab/AgentDoG.

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.

Training data attribution (TDA) techniques find influential training data for the model's prediction on the test data of interest. They approximate the impact of down- or up-weighting a particular training sample. While conceptually useful, they are hardly applicable to deep models in practice, particularly because of their sensitivity to different model initialisation. In this paper, we introduce a Bayesian perspective on the TDA task, where the learned model is treated as a Bayesian posterior and the TDA estimates as random variables. From this novel viewpoint, we observe that the influence of an individual training sample is often overshadowed by the noise stemming from model initialisation and SGD batch composition. Based on this observation, we argue that TDA can only be reliably used for explaining deep model predictions that are consistently influenced by certain training data, independent of other noise factors. Our experiments demonstrate the rarity of such noise-independent training-test data pairs but confirm their existence. We recommend that future researchers and practitioners trust TDA estimates only in such cases. Further, we find a disagreement between ground truth and estimated TDA distributions and encourage future work to study this gap. Code is provided at https://github.com/ElisaNguyen/bayesian-tda.

Data attribution methods trace model behavior back to its training dataset, offering an effective approach to better understand ''black-box'' neural networks. While prior research has established quantifiable links between model output and training data in diverse settings, interpreting diffusion model outputs in relation to training samples remains underexplored. In particular, diffusion models operate over a sequence of timesteps instead of instantaneous input-output relationships in previous contexts, posing a significant challenge to extend existing frameworks to diffusion models directly. Notably, we present Diffusion-TracIn that incorporates this temporal dynamics and observe that samples' loss gradient norms are highly dependent on timestep. This trend leads to a prominent bias in influence estimation, and is particularly noticeable for samples trained on large-norm-inducing timesteps, causing them to be generally influential. To mitigate this effect, we introduce Diffusion-ReTrac as a re-normalized adaptation that enables the retrieval of training samples more targeted to the test sample of interest, facilitating a localized measurement of influence and considerably more intuitive visualization. We demonstrate the efficacy of our approach through various evaluation metrics and auxiliary tasks, reducing the amount of generally influential samples to 1{3} of its original quantity.

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.

While Mechanistic Interpretability has identified interpretable circuits in LLMs, their causal origins in training data remain elusive. We introduce Mechanistic Data Attribution (MDA), a scalable framework that employs Influence Functions to trace interpretable units back to specific training samples. Through extensive experiments on the Pythia family, we causally validate that targeted intervention--removing or augmenting a small fraction of high-influence samples--significantly modulates the emergence of interpretable heads, whereas random interventions show no effect. Our analysis reveals that repetitive structural data (e.g., LaTeX, XML) acts as a mechanistic catalyst. Furthermore, we observe that interventions targeting induction head formation induce a concurrent change in the model's in-context learning (ICL) capability. This provides direct causal evidence for the long-standing hypothesis regarding the functional link between induction heads and ICL. Finally, we propose a mechanistic data augmentation pipeline that consistently accelerates circuit convergence across model scales, providing a principled methodology for steering the developmental trajectories of LLMs.

With unified model-generated images now widespread online, attributing their model of origin offers a path toward transparency and deeper insight into the characteristic behaviors of individual models. Prior work has explored provenance in LLM-generated text, diffusion model images, and datasets, but the separability of unified model-generated images remains an underexplored area. We address this gap by examining separability across corruption, domains, and prompt languages using images generated by seven unified models. We show that model attribution is highly feasible as our model achieves near-perfect accuracy with around 20K images per model. Corruptions and structural perturbations have only a modest effect on attribution performance, and cross-domain generalization reveals that semantic content contributes to separability but is not the dominant signal. Finally, we observe that for most models, prompt language attribution is around chance levels, suggesting minimal language-specific visual signatures. These findings highlight consistent model-specific visual characteristics in unified models outputs and open new directions for tracing and auditing generative image pipelines.

In this paper we introduce a novel, unified, open-source model interpretability library for PyTorch [12]. The library contains generic implementations of a number of gradient and perturbation-based attribution algorithms, also known as feature, neuron and layer importance algorithms, as well as a set of evaluation metrics for these algorithms. It can be used for both classification and non-classification models including graph-structured models built on Neural Networks (NN). In this paper we give a high-level overview of supported attribution algorithms and show how to perform memory-efficient and scalable computations. We emphasize that the three main characteristics of the library are multimodality, extensibility and ease of use. Multimodality supports different modality of inputs such as image, text, audio or video. Extensibility allows adding new algorithms and features. The library is also designed for easy understanding and use. Besides, we also introduce an interactive visualization tool called Captum Insights that is built on top of Captum library and allows sample-based model debugging and visualization using feature importance metrics.

Multi-agent systems powered by Large Language Models excel at complex tasks through coordinated collaboration, yet they face high failure rates in multi-turn deep search scenarios. Existing temporal attribution methods struggle to accurately diagnose root causes, particularly when errors propagate across multiple agents. Attempts to automate failure attribution by analyzing action sequences remain ineffective due to their inability to account for information dependencies that span agents. This paper identifies two core challenges: (i) distinguishing symptoms from root causes in multi-agent error propagation, and (ii) tracing information dependencies beyond temporal order. To address these issues, we introduce GraphTracer, a framework that redefines failure attribution through information flow analysis. GraphTracer constructs Information Dependency Graphs (IDGs) to explicitly capture how agents reference and build on prior outputs. It localizes root causes by tracing through these dependency structures instead of relying on temporal sequences. GraphTracer also uses graph-aware synthetic data generation to target critical nodes, creating realistic failure scenarios. Evaluations on the Who\&When benchmark and integration into production systems demonstrate that GraphTracer-8B achieves up to 18.18\% higher attribution accuracy compared to state-of-the-art models and enables 4.8\% to 14.2\% performance improvements in deployed multi-agent frameworks, establishing a robust solution for multi-agent system debugging.

Large language model-driven multi-agent systems (LLM-MAS) excel at complex tasks, yet unreliable agents remain a key bottleneck to system-level reliability. Automatic failure attribution is therefore critical, but existing approaches, such as direct prediction of agent-error pairs and agent-first failure attribution, rely on local logs of agents and miss global failures that only manifest over full interaction trajectories, such as cross-step inconsistencies and inter-agent coordination errors. Moreover, directly predicting failures induces a large combinatorial search space, hindering fine-grained attribution. To address these challenges, we propose VerifyMAS, a hypothesis verification framework for agent failure attribution. Instead of directly predicting faulty agents and error types, VerifyMAS formulates and verifies failure hypotheses against full trajectories. This verification-based approach decomposes attribution into trajectory-level error validation and fine-grained agent localization, providing an error-first attribution approach that captures global failure patterns while substantially reducing the search space. We further introduce a hypothesis-based data construction strategy grounded in a structured error taxonomy and fine-tune a specialized LLM verifier model for trajectory-level failure verification and agent attribution. Experiments on Aegis-Bench and Who&When show that VerifyMAS consistently improves diverse backbone models, including open-source Qwen and API-based GPT models, outperforming prior methods without sacrificing inference efficiency for long multi-agent trajectories.

Causal representation learning (CRL) seeks to recover latent variables with identifiability guarantees, typically up to permutation and component-wise reparameterization under appropriate assumptions. However, identifiability does not imply interpretability: latent semantics are typically assigned post hoc by alignment with known ground-truth factors. This limitation is particularly acute in scientific time series, where underlying mechanisms are unknown and discovering interpretable structure is a primary goal. In contrast, scientific observations (such as residue-pair distances, climate indices, or process sensors) are inherently semantic, as they correspond to named physical quantities. This raises a key question: can the interpretability of observations be transferred to the identifiable latent space? We propose MOSAIC (Module discovery via Sparse Additive Identifiable Causal learning), a sparse temporal VAE that integrates temporal CRL identifiability with support recovery over observed variables. MOSAIC identifies latent variables via regime-conditioned temporal variation, and recovers for each latent a sparse set of associated observations through an additive decoder, yielding module-level interpretability. We show that ANOVA main-effect supports are identifiable under general smooth mixing functions, and provide finite-sample recovery guarantees for a tractable sparse-additive variant. Empirically, MOSAIC recovers domain-consistent variable groups across RNA molecular dynamics, solar wind, ENSO climate, the Tennessee Eastman process, and a synthetic tokamak benchmark, enabling interpretable discovery of latent mechanisms in scientific time series.

Mechanistic interpretability (MI) requires full access to model internals, yet the APIs for most widely deployed language models at best expose log-probabilities over output tokens. This creates a surrogate problem: when do measurements made on open models allow us to make claims about a closed model? We evaluate surrogate fidelity at the prediction, attribution, and representation levels. For binary classification tasks, log-odds provide an API-compatible scalar readout of the model's representation space, and leave-one-out attributions provide insight into model behavior. Across eleven models spanning four families (Llama, Qwen, GPT, and Gemini), we find that prediction fidelity substantially overstates attribution fidelity: models that agree on what the answer is often disagree on why. We document an access-validity inversion: white-box signals like attention patterns and perturbation magnitudes are highly stable across models but only weakly predictive of causal attributions, which black-box input ablations capture by design. Mechanistic insight does not automatically transfer to closed targets, and prediction-level agreement is insufficient to warrant such transfer. Code and results are available at https://github.com/facebookresearch/surrogate.

Automated failure attribution uses LLMs to identify where and why agentic systems fail. As agents become more capable, their failures become subtler, making automated attribution increasingly important. We introduce Who&When Pro, a large-scale benchmark for automated failure attribution in agentic systems. Using a strictly controlled pipeline that injects a failure only after exactly replaying a successful prefix, we construct 12,326 failed trajectories with golden labels across 3 modalities and 26 benchmarks covering various scenarios. Beyond benchmarking, we conduct extensive experiments and analyses, revealing systematic patterns in how models attribute failures across modalities, protocols, and model families, and providing empirical guidance for future automated failure attribution systems.

Combining discrete probability distributions and combinatorial optimization problems with neural network components has numerous applications but poses several challenges. We propose Implicit Maximum Likelihood Estimation (I-MLE), a framework for end-to-end learning of models combining discrete exponential family distributions and differentiable neural components. I-MLE is widely applicable as it only requires the ability to compute the most probable states and does not rely on smooth relaxations. The framework encompasses several approaches such as perturbation-based implicit differentiation and recent methods to differentiate through black-box combinatorial solvers. We introduce a novel class of noise distributions for approximating marginals via perturb-and-MAP. Moreover, we show that I-MLE simplifies to maximum likelihood estimation when used in some recently studied learning settings that involve combinatorial solvers. Experiments on several datasets suggest that I-MLE is competitive with and often outperforms existing approaches which rely on problem-specific relaxations.

Mechanistic interpretability aims to understand neural networks by identifying which learned features mediate specific behaviors. Attribution graphs reveal these feature pathways, but interpreting them requires extensive manual analysis -- a single prompt can take approximately 2 hours for an experienced circuit tracer. We present probe prompting, an automated pipeline that transforms attribution graphs into compact, interpretable subgraphs built from concept-aligned supernodes. Starting from a seed prompt and target logit, we select high-influence features, generate concept-targeted yet context-varying probes, and group features by cross-prompt activation signatures into Semantic, Relationship, and Say-X categories using transparent decision rules. Across five prompts including classic "capitals" circuits, probe-prompted subgraphs preserve high explanatory coverage while compressing complexity (Completeness 0.83, mean across circuits; Replacement 0.54). Compared to geometric clustering baselines, concept-aligned groups exhibit higher behavioral coherence: 2.3x higher peak-token consistency (0.425 vs 0.183) and 5.8x higher activation-pattern similarity (0.762 vs 0.130), despite lower geometric compactness. Entity-swap tests reveal a layerwise hierarchy: early-layer features transfer robustly (64% transfer rate, mean layer 6.3), while late-layer Say-X features specialize for output promotion (mean layer 16.4), supporting a backbone-and-specialization view of transformer computation. We release code (https://github.com/peppinob-ol/attribution-graph-probing), an interactive demo (https://huggingface.co/spaces/Peppinob/attribution-graph-probing), and minimal artifacts enabling immediate reproduction and community adoption.

Feature attribution methods identify which features of an input most influence a model's output. Most widely-used feature attribution methods (such as SHAP, LIME, and Grad-CAM) are "class-dependent" methods in that they generate a feature attribution vector as a function of class. In this work, we demonstrate that class-dependent methods can "leak" information about the selected class, making that class appear more likely than it is. Thus, an end user runs the risk of drawing false conclusions when interpreting an explanation generated by a class-dependent method. In contrast, we introduce "distribution-aware" methods, which favor explanations that keep the label's distribution close to its distribution given all features of the input. We introduce SHAP-KL and FastSHAP-KL, two baseline distribution-aware methods that compute Shapley values. Finally, we perform a comprehensive evaluation of seven class-dependent and three distribution-aware methods on three clinical datasets of different high-dimensional data types: images, biosignals, and text.

Large deep learning models have achieved remarkable success but are resource-intensive, posing challenges such as memory usage. We introduce CURing, a novel model compression method based on CUR matrix decomposition, which approximates weight matrices as the product of selected columns (C) and rows (R), and a small linking matrix (U). We apply this decomposition to weights chosen based on the combined influence of their magnitudes and activations. By identifying and retaining informative rows and columns, CURing significantly reduces model size with minimal performance loss. For example, it reduces Llama3.1-8B's parameters to 7.32B (-9%) in just 129 seconds, over 20 times faster than prior compression methods.

In this paper, we introduce the idea of decomposing the residuals of regression with respect to the data instances instead of features. This allows us to determine the effects of each individual instance on the model and each other, and in doing so makes for a model-agnostic method of identifying instances of interest. In doing so, we can also determine the appropriateness of the model and data in the wider context of a given study. The paper focuses on the possible applications that such a framework brings to the relatively unexplored field of instance analysis in the context of Explainable AI tasks.

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.

Parameter inference, i.e. inferring the posterior distribution of the parameters of a statistical model given some data, is a central problem to many scientific disciplines. Generative models can be used as an alternative to Markov Chain Monte Carlo methods for conducting posterior inference, both in likelihood-based and simulation-based problems. However, assessing the accuracy of posteriors encoded in generative models is not straightforward. In this paper, we introduce `Tests of Accuracy with Random Points' (TARP) coverage testing as a method to estimate coverage probabilities of generative posterior estimators. Our method differs from previously-existing coverage-based methods, which require posterior evaluations. We prove that our approach is necessary and sufficient to show that a posterior estimator is accurate. We demonstrate the method on a variety of synthetic examples, and show that TARP can be used to test the results of posterior inference analyses in high-dimensional spaces. We also show that our method can detect inaccurate inferences in cases where existing methods fail.

Large Vision Language Models (LVLMs) show promise in medical applications, but their inability to faithfully ground responses in visual evidence raises serious concerns about clinical trustworthiness. While visual attribution methods are widely used to explain LVLM predictions, whether these explanations actually reflect the visual evidence underlying the model's decision is largely unverified, since ground-truth annotations for internal model reasoning are typically unavailable. We address this question for chest X-ray (CXR) reasoning by developing a causal evaluation framework that retains only CXR-VQA samples for which the expert-annotated region is verified, via counterfactual editing, to be causally responsible for the model's prediction. Using this framework across 11 attribution methods, six open-source LVLMs, and two output modes (direct answer and step-by-step reasoning), we find that existing attribution methods often fail to identify the evidence used by LVLMs. To address this failure, we propose MedFocus, a concept-based attribution method that localizes clinically meaningful anatomical regions via unbalanced optimal transport and measures their causal effect on model outputs through targeted interventions. MedFocus produces spatial, concept-level, and token-level attributions and substantially outperforms prior methods, taking a step toward more trustworthy attribution for medical LVLMs. Our data and code are available at https://github.com/gzxiong/medfocus/.

Originally inspired by game-theory, path attribution framework stands out among the post-hoc model interpretation tools due to its axiomatic nature. However, recent developments show that this framework can still suffer from counter-intuitive results. Moreover, specifically for deep visual models, the existing path-based methods also fall short on conforming to the original intuitions that are the basis of the claimed axiomatic properties of this framework. We address these problems with a systematic investigation, and pinpoint the conditions in which the counter-intuitive results can be avoided for deep visual model interpretation with the path attribution strategy. We also devise a scheme to preclude the conditions in which visual model interpretation can invalidate the axiomatic properties of path attribution. These insights are combined into a method that enables reliable visual model interpretation. Our findings are establish empirically with multiple datasets, models and evaluation metrics. Extensive experiments show a consistent performance gain of our method over the baselines.

The class activation mapping, or CAM, has been the cornerstone of feature attribution methods for multiple vision tasks. Its simplicity and effectiveness have led to wide applications in the explanation of visual predictions and weakly-supervised localization tasks. However, CAM has its own shortcomings. The computation of attribution maps relies on ad-hoc calibration steps that are not part of the training computational graph, making it difficult for us to understand the real meaning of the attribution values. In this paper, we improve CAM by explicitly incorporating a latent variable encoding the location of the cue for recognition in the formulation, thereby subsuming the attribution map into the training computational graph. The resulting model, class activation latent mapping, or CALM, is trained with the expectation-maximization algorithm. Our experiments show that CALM identifies discriminative attributes for image classifiers more accurately than CAM and other visual attribution baselines. CALM also shows performance improvements over prior arts on the weakly-supervised object localization benchmarks. Our code is available at https://github.com/naver-ai/calm.

Probabilistic models are typically trained using task-agnostic objectives like log-loss, which can lead to significant errors in downstream estimation. This disconnect is especially critical in Inverse Probability Weighting (IPW) for causal inference, where propensity score errors near 0 and 1 often lead to high bias and variance. We propose a principled framework for deriving task-specific strictly proper scoring rules by matching the local curvature of the downstream error metric. We apply this to the Average Treatment Effect (ATE) estimation, deriving a closed-form loss and its corresponding canonical probability mapping that can be readily integrated with any model like a neural network or a gradient boosting algorithm. Extensive evaluations on causal inference benchmarks demonstrate that our tailored objective consistently outperforms standard likelihood-based and covariate-balancing approaches.

The premise of identifiable and causal representation learning is to improve the current representation learning paradigm in terms of generalizability or robustness. Despite recent progress in questions of identifiability, more theoretical results demonstrating concrete advantages of these methods for downstream tasks are needed. In this paper, we consider the task of intervention extrapolation: predicting how interventions affect an outcome, even when those interventions are not observed at training time, and show that identifiable representations can provide an effective solution to this task even if the interventions affect the outcome non-linearly. Our setup includes an outcome Y, observed features X, which are generated as a non-linear transformation of latent features Z, and exogenous action variables A, which influence Z. The objective of intervention extrapolation is to predict how interventions on A that lie outside the training support of A affect Y. Here, extrapolation becomes possible if the effect of A on Z is linear and the residual when regressing Z on A has full support. As Z is latent, we combine the task of intervention extrapolation with identifiable representation learning, which we call Rep4Ex: we aim to map the observed features X into a subspace that allows for non-linear extrapolation in A. We show that the hidden representation is identifiable up to an affine transformation in Z-space, which is sufficient for intervention extrapolation. The identifiability is characterized by a novel constraint describing the linearity assumption of A on Z. Based on this insight, we propose a method that enforces the linear invariance constraint and can be combined with any type of autoencoder. We validate our theoretical findings through synthetic experiments and show that our approach succeeds in predicting the effects of unseen interventions.

Predicting click and conversion probabilities when bidding on ad exchanges is at the core of the programmatic advertising industry. Two separated lines of previous works respectively address i) the prediction of user conversion probability and ii) the attribution of these conversions to advertising events (such as clicks) after the fact. We argue that attribution modeling improves the efficiency of the bidding policy in the context of performance advertising. Firstly we explain the inefficiency of the standard bidding policy with respect to attribution. Secondly we learn and utilize an attribution model in the bidder itself and show how it modifies the average bid after a click. Finally we produce evidence of the effectiveness of the proposed method on both offline and online experiments with data spanning several weeks of real traffic from Criteo, a leader in performance advertising.

A recent trend in explainable AI research has focused on surrogate modeling, where neural networks are approximated as simpler ML algorithms such as kernel machines. A second trend has been to utilize kernel functions in various explain-by-example or data attribution tasks. In this work, we combine these two trends to analyze approximate empirical neural tangent kernels (eNTK) for data attribution. Approximation is critical for eNTK analysis due to the high computational cost to compute the eNTK. We define new approximate eNTK and perform novel analysis on how well the resulting kernel machine surrogate models correlate with the underlying neural network. We introduce two new random projection variants of approximate eNTK which allow users to tune the time and memory complexity of their calculation. We conclude that kernel machines using approximate neural tangent kernel as the kernel function are effective surrogate models, with the introduced trace NTK the most consistent performer. Open source software allowing users to efficiently calculate kernel functions in the PyTorch framework is available (https://github.com/pnnl/projection\_ntk).

Large Language Models (LLMs) have demonstrated remarkable performance across diverse domains. However, effectively leveraging their vast knowledge for training smaller downstream models remains an open challenge, especially in domains like tabular data learning, where simpler models are often preferred due to interpretability and efficiency. In this paper, we introduce a novel yet straightforward method for incorporating LLM-generated global task feature attributions into the training process of smaller networks. Specifically, we propose an attribution-matching regularization term that aligns the training dynamics of the smaller model with the insights provided by the LLM. By doing so, our approach yields superior performance in few-shot learning scenarios. Notably, our method requires only black-box API access to the LLM, making it easy to integrate into existing training pipelines with minimal computational overhead. Furthermore, we demonstrate how this method can be used to address common issues in real-world datasets, such as skewness and bias. By integrating high-level knowledge from LLMs, our approach improves generalization, even when training data is limited or imbalanced. We validate its effectiveness through extensive experiments across multiple tasks, demonstrating improved learning efficiency and model robustness.

Some security-development settings require local models that map an objective to an ordered, checkable plan. We present a low-rank decomposition adapter and release a case-disjoint corpus with 24 authored decompositions and 83 derived next-step examples across 24 satellite-security cases. To prevent reference-plan leakage, prompts contain one objective and eight shuffled SPARTA candidates. The evaluation candidate sets are constructed with oracle inclusion of every reference technique, so this study measures selection from a controlled set, not retrieval. On six fixed cases and five decoding seeds, mean scores vary across adapters and prompted Qwen2.5 baselines; a separate greedy check over three adapter training seeds shows non-negligible training variance. A 24-fold greedy leave-one-case-out control at the two compact sizes likewise shows tradeoffs: at 1.5B, adapter precision is 0.583 against 0.480 for two-shot prompting, while recall is 0.586 against 0.660. Case-resampling intervals for adapter precision relative to the strongest prompted baseline cross zero at 1.5B and 7B. The adapter is also substantially more format-compliant, which prevents attributing all score differences to selection. Autoregressive next-step accuracy is 0.08, 0.06, and 0.29 at 0.5B, 1.5B, and 7B. We therefore offer the formulation, leakage-controlled dataset, reproducibility package, and descriptive analysis as a proof of concept, not evidence of a reliable stand-alone decomposition system or a general adapter advantage. A separate diagnostic tests contract reuse.

Normalizing flows (NFs) have become a prominent method for deep generative models that allow for an analytic probability density estimation and efficient synthesis. However, a flow-based network is considered to be inefficient in parameter complexity because of reduced expressiveness of bijective mapping, which renders the models unfeasibly expensive in terms of parameters. We present an alternative parameterization scheme called NanoFlow, which uses a single neural density estimator to model multiple transformation stages. Hence, we propose an efficient parameter decomposition method and the concept of flow indication embedding, which are key missing components that enable density estimation from a single neural network. Experiments performed on audio and image models confirm that our method provides a new parameter-efficient solution for scalable NFs with significant sublinear parameter complexity.

Given a generalist model, learning a task-relevant specialist representation is fundamental for downstream applications. Identifiability, the asymptotic guarantee of recovering the ground-truth representation, is critical because it sets the ultimate limit of any model, even with infinite data and computation. We study this problem in a completely nonparametric setting, without relying on interventions, parametric forms, or structural constraints. We first prove that the structure between time steps and tasks is identifiable in a fully unsupervised manner, even when sequences lack strict temporal dependence and may exhibit disconnections, and task assignments can follow arbitrarily complex and interleaving structures. We then prove that, within each time step, the task-relevant latent representation can be disentangled from the irrelevant part under a simple sparsity regularization, without any additional information or parametric constraints. Together, these results establish a hierarchical foundation: task structure is identifiable across time steps, and task-relevant latent representations are identifiable within each step. To our knowledge, each result provides a first general nonparametric identifiability guarantee, and together they mark a step toward provably moving from generalist to specialist models.

Causal generative models provide a principled framework for answering observational, interventional, and counterfactual queries from observational data. However, many deep causal models rely on highly expressive architectures with opaque mechanisms, limiting auditability in high-stakes domains. We propose KaCGM, a causal generative model for mixed-type tabular data where each structural equation is parameterized by a Kolmogorov--Arnold Network (KAN). This decomposition enables direct inspection of learned causal mechanisms, including symbolic approximations and visualization of parent--child relationships, while preserving query-agnostic generative semantics. We introduce a validation pipeline based on distributional matching and independence diagnostics of inferred exogenous variables, allowing assessment using observational data alone. Experiments on synthetic and semi-synthetic benchmarks show competitive performance against state-of-the-art methods. A real-world cardiovascular case study further demonstrates the extraction of simplified structural equations and interpretable causal effects. These results suggest that expressive causal generative modeling and functional transparency can be achieved jointly, supporting trustworthy deployment in tabular decision-making settings. Code: https://github.com/aalmodovares/kacgm

Neural Posterior Estimation methods for simulation-based inference can be ill-suited for dealing with posterior distributions obtained by conditioning on multiple observations, as they tend to require a large number of simulator calls to learn accurate approximations. In contrast, Neural Likelihood Estimation methods can handle multiple observations at inference time after learning from individual observations, but they rely on standard inference methods, such as MCMC or variational inference, which come with certain performance drawbacks. We introduce a new method based on conditional score modeling that enjoys the benefits of both approaches. We model the scores of the (diffused) posterior distributions induced by individual observations, and introduce a way of combining the learned scores to approximately sample from the target posterior distribution. Our approach is sample-efficient, can naturally aggregate multiple observations at inference time, and avoids the drawbacks of standard inference methods.

Multi-agent systems (MAS) built on large language models (LLMs) provide a promising framework for solving complex tasks through role specialization and structured interaction. However, their performance is often limited by miscoordination and, more fundamentally, the lack of fine-grained credit assignment across agents. Existing approaches typically rely on coarse-grained feedback, making it difficult to identify which agents or interaction steps are responsible for errors. We propose Gradient-Based Connections (GBC), an approach for fine-grained attribution and optimization of multi-agent systems. GBC models a MAS as a computational graph and introduces gradient-based connection weights to quantify the influence of each agent's output on downstream agents at the token level. By constructing an attribution graph and propagating task-specific loss signals backward, our method enables precise identification of error sources and targeted prompt optimization. We further develop AgentChord, an efficient implementation that leverages prefix-based gradient computation. Experiments on MultiWOZ and τ-bench show that GBC improves multi-agent performance and outperforms strong single-agent and multi-agent baselines, and higher attribution quality is associated with greater optimization effectiveness. Code is available at: https://github.com/yxc-cyber/AgentChord.

When considering a model architecture, there are several ways to reduce its memory footprint. Historically, popular approaches included selecting smaller architectures and creating sparse networks through pruning. More recently, randomized parameter-sharing (RPS) methods have gained traction for model compression at start of training. In this paper, we comprehensively assess the trade-off between memory and accuracy across RPS, pruning techniques, and building smaller models. Our findings demonstrate that RPS, which is both data and model-agnostic, consistently outperforms/matches smaller models and all moderately informed pruning strategies, such as MAG, SNIP, SYNFLOW, and GRASP, across the entire compression range. This advantage becomes particularly pronounced in higher compression scenarios. Notably, even when compared to highly informed pruning techniques like Lottery Ticket Rewinding (LTR), RPS exhibits superior performance in high compression settings. This points out inherent capacity advantage that RPS enjoys over sparse models. Theoretically, we establish RPS as a superior technique in terms of memory-efficient representation when compared to pruning for linear models. This paper argues in favor of paradigm shift towards RPS based models. During our rigorous evaluation of RPS, we identified issues in the state-of-the-art RPS technique ROAST, specifically regarding stability (ROAST's sensitivity to initialization hyperparameters, often leading to divergence) and Pareto-continuity (ROAST's inability to recover the accuracy of the original model at zero compression). We provably address both of these issues. We refer to the modified RPS, which incorporates our improvements, as STABLE-RPS.

A variety of recent papers discuss the application of Shapley values, a concept for explaining coalitional games, for feature attribution in machine learning. However, the correct way to connect a machine learning model to a coalitional game has been a source of controversy. The two main approaches that have been proposed differ in the way that they condition on known features, using either (1) an interventional or (2) an observational conditional expectation. While previous work has argued that one of the two approaches is preferable in general, we argue that the choice is application dependent. Furthermore, we argue that the choice comes down to whether it is desirable to be true to the model or true to the data. We use linear models to investigate this choice. After deriving an efficient method for calculating observational conditional expectation Shapley values for linear models, we investigate how correlation in simulated data impacts the convergence of observational conditional expectation Shapley values. Finally, we present two real data examples that we consider to be representative of possible use cases for feature attribution -- (1) credit risk modeling and (2) biological discovery. We show how a different choice of value function performs better in each scenario, and how possible attributions are impacted by modeling choices.

We develop a data-driven information-theoretic framework for sharp partial identification of causal effects under unmeasured confounding. Existing approaches often rely on restrictive assumptions, such as bounded or discrete outcomes; require external inputs (for example, instrumental variables, proxies, or user-specified sensitivity parameters); necessitate full structural causal model specifications; or focus solely on population-level averages while neglecting covariate-conditional effects. We overcome all four limitations simultaneously by establishing novel information-theoretic, data-driven divergence bounds. Our key theoretical contribution shows that the f-divergence between the observational distribution P(Y | A = a, X = x) and the interventional distribution P(Y | do(A = a), X = x) is upper bounded by a function of the propensity score alone. This result enables sharp partial identification of conditional causal effects directly from observational data, without requiring external sensitivity parameters, auxiliary variables, full structural specifications, or outcome boundedness assumptions. For practical implementation, we develop a semiparametric estimator satisfying Neyman orthogonality (Chernozhukov et al., 2018), which ensures root-n consistent inference even when nuisance functions are estimated via flexible machine learning methods. Simulation studies and real-world data applications, implemented in the GitHub repository (https://github.com/yonghanjung/Information-Theretic-Bounds), demonstrate that our framework provides tight and valid causal bounds across a wide range of data-generating processes.

While large text-to-image models are able to synthesize "novel" images, these images are necessarily a reflection of the training data. The problem of data attribution in such models -- which of the images in the training set are most responsible for the appearance of a given generated image -- is a difficult yet important one. As an initial step toward this problem, we evaluate attribution through "customization" methods, which tune an existing large-scale model toward a given exemplar object or style. Our key insight is that this allows us to efficiently create synthetic images that are computationally influenced by the exemplar by construction. With our new dataset of such exemplar-influenced images, we are able to evaluate various data attribution algorithms and different possible feature spaces. Furthermore, by training on our dataset, we can tune standard models, such as DINO, CLIP, and ViT, toward the attribution problem. Even though the procedure is tuned towards small exemplar sets, we show generalization to larger sets. Finally, by taking into account the inherent uncertainty of the problem, we can assign soft attribution scores over a set of training images.

Fair machine learning seeks to identify and mitigate biases in predictions against unfavorable populations characterized by demographic attributes, such as race and gender. Recently, a few works have extended fairness to graph data, such as social networks, but most of them neglect the causal relationships among data instances. This paper addresses the prevalent challenge in fairness-aware ML algorithms, which typically assume Independent and Identically Distributed (IID) data. We tackle the overlooked domain of non-IID, graph-based settings where data instances are interconnected, influencing the outcomes of fairness interventions. We base our research on the Network Structural Causal Model (NSCM) framework and posit two main assumptions: Decomposability and Graph Independence, which enable the computation of interventional distributions in non-IID settings using the do-calculus. Based on that, we develop the Message Passing Variational Autoencoder for Causal Inference (MPVA) to compute interventional distributions and facilitate causally fair node classification through estimated interventional distributions. Empirical evaluations on semi-synthetic and real-world datasets demonstrate that MPVA outperforms conventional methods by effectively approximating interventional distributions and mitigating bias. The implications of our findings underscore the potential of causality-based fairness in complex ML applications, setting the stage for further research into relaxing the initial assumptions to enhance model fairness.

The increasing complexity of foundational models underscores the necessity for explainability, particularly for fine-tuning, the most widely used training method for adapting models to downstream tasks. Instance attribution, one type of explanation, attributes the model prediction to each training example by an instance score. However, the robustness of instance scores, specifically towards dataset resampling, has been overlooked. To bridge this gap, we propose a notion of robustness on the sign of the instance score. We theoretically and empirically demonstrate that the popular leave-one-out-based methods lack robustness, while the Shapley value behaves significantly better, but at a higher computational cost. Accordingly, we introduce an efficient fine-tuning-free approximation of the Shapley value (FreeShap) for instance attribution based on the neural tangent kernel. We empirically demonstrate that FreeShap outperforms other methods for instance attribution and other data-centric applications such as data removal, data selection, and wrong label detection, and further generalize our scale to large language models (LLMs). Our code is available at https://github.com/JTWang2000/FreeShap.

Claim verification splits between end-to-end classifiers that are accurate but yields no inspectable traces, and decomposition-based methods produce inspectable traces but lag performance on benchmark datasets. We propose DecomposeRL an accurate claim-verifier that produce inspectable traces. DecomposeRL frames decomposition as an RL policy trained with GRPO and a multi-faceted reward ensemble, enabling both fully supervised and semi-supervised learning from unlabeled claims. DecomposeRL addresses the prohibitive training cost of GRPO with a data-curation funnel that distills 115K fact-verification claims into a compact, learning-signal-dense subset of 5K claims. We show that a DecomposeRL-7B policy trained with full supervision on only ~5K curated claims achieves 86.3 in-domain and 69.8 out-of-domain balanced accuracy across 11 claim-verification benchmarks containing biomedical, political, scientific, and general-domain claims. Despite being 4x smaller, it matches 32B baselines and GPT-4.1-mini, and it further outperforms baselines in a semi-supervised setting with only 10% labeled claims data. Code, data, and models are available at https://dipta007.github.io/DecomposeRL

We introduce Iterated Integrated Attributions (IIA) - a generic method for explaining the predictions of vision models. IIA employs iterative integration across the input image, the internal representations generated by the model, and their gradients, yielding precise and focused explanation maps. We demonstrate the effectiveness of IIA through comprehensive evaluations across various tasks, datasets, and network architectures. Our results showcase that IIA produces accurate explanation maps, outperforming other state-of-the-art explanation techniques.

Large-scale diffusion neural networks represent a substantial milestone in text-to-image generation, but they remain poorly understood, lacking interpretability analyses. In this paper, we perform a text-image attribution analysis on Stable Diffusion, a recently open-sourced model. To produce pixel-level attribution maps, we upscale and aggregate cross-attention word-pixel scores in the denoising subnetwork, naming our method DAAM. We evaluate its correctness by testing its semantic segmentation ability on nouns, as well as its generalized attribution quality on all parts of speech, rated by humans. We then apply DAAM to study the role of syntax in the pixel space, characterizing head--dependent heat map interaction patterns for ten common dependency relations. Finally, we study several semantic phenomena using DAAM, with a focus on feature entanglement, where we find that cohyponyms worsen generation quality and descriptive adjectives attend too broadly. To our knowledge, we are the first to interpret large diffusion models from a visuolinguistic perspective, which enables future lines of research. Our code is at https://github.com/castorini/daam.

Current research on the Decompose-Then-Verify paradigm for evaluating the factuality of long-form text typically treats decomposition and verification in isolation, overlooking their interactions and potential misalignment. We find that existing decomposition policies, typically hand-crafted demonstrations, do not align well with downstream verifiers in terms of atomicity -- a novel metric quantifying information density -- leading to suboptimal verification results. We formulate finding the optimal decomposition policy for optimal verification as a bilevel optimization problem. To approximate a solution for this strongly NP-hard problem, we propose dynamic decomposition, a reinforcement learning framework that leverages verifier feedback to learn a policy for dynamically decomposing claims to verifier-preferred atomicity. Experimental results show that dynamic decomposition outperforms existing decomposition policies, improving verification confidence by 0.07 and accuracy by 0.12 (on a 0-1 scale) on average across varying verifiers, datasets, and atomcities of input claims.

Feature engineering is required to obtain better results for time series forecasting, and decomposition is a crucial one. One decomposition approach often cannot be used for numerous forecasting tasks since the standard time series decomposition lacks flexibility and robustness. Traditional feature selection relies heavily on preexisting domain knowledge, has no generic methodology, and requires a lot of labor. However, most time series prediction models based on deep learning typically suffer from interpretability issue, so the "black box" results lead to a lack of confidence. To deal with the above issues forms the motivation of the thesis. In the paper we propose TSDFNet as a neural network with self-decomposition mechanism and an attentive feature fusion mechanism, It abandons feature engineering as a preprocessing convention and creatively integrates it as an internal module with the deep model. The self-decomposition mechanism empowers TSDFNet with extensible and adaptive decomposition capabilities for any time series, users can choose their own basis functions to decompose the sequence into temporal and generalized spatial dimensions. Attentive feature fusion mechanism has the ability to capture the importance of external variables and the causality with target variables. It can automatically suppress the unimportant features while enhancing the effective ones, so that users do not have to struggle with feature selection. Moreover, TSDFNet is easy to look into the "black box" of the deep neural network by feature visualization and analyze the prediction results. We demonstrate performance improvements over existing widely accepted models on more than a dozen datasets, and three experiments showcase the interpretability of TSDFNet.

A wide variety of model explanation approaches have been proposed in recent years, all guided by very different rationales and heuristics. In this paper, we take a new route and cast interpretability as a statistical inference problem. We propose a general deep probabilistic model designed to produce interpretable predictions. The model parameters can be learned via maximum likelihood, and the method can be adapted to any predictor network architecture and any type of prediction problem. Our method is a case of amortized interpretability models, where a neural network is used as a selector to allow for fast interpretation at inference time. Several popular interpretability methods are shown to be particular cases of regularised maximum likelihood for our general model. We propose new datasets with ground truth selection which allow for the evaluation of the features importance map. Using these datasets, we show experimentally that using multiple imputation provides more reasonable interpretations.

We study counterfactual identifiability in causal models with bijective generation mechanisms (BGM), a class that generalizes several widely-used causal models in the literature. We establish their counterfactual identifiability for three common causal structures with unobserved confounding, and propose a practical learning method that casts learning a BGM as structured generative modeling. Learned BGMs enable efficient counterfactual estimation and can be obtained using a variety of deep conditional generative models. We evaluate our techniques in a visual task and demonstrate its application in a real-world video streaming simulation task.

The goal of data attribution is to trace model predictions back to training data. Despite a long line of work towards this goal, existing approaches to data attribution tend to force users to choose between computational tractability and efficacy. That is, computationally tractable methods can struggle with accurately attributing model predictions in non-convex settings (e.g., in the context of deep neural networks), while methods that are effective in such regimes require training thousands of models, which makes them impractical for large models or datasets. In this work, we introduce TRAK (Tracing with the Randomly-projected After Kernel), a data attribution method that is both effective and computationally tractable for large-scale, differentiable models. In particular, by leveraging only a handful of trained models, TRAK can match the performance of attribution methods that require training thousands of models. We demonstrate the utility of TRAK across various modalities and scales: image classifiers trained on ImageNet, vision-language models (CLIP), and language models (BERT and mT5). We provide code for using TRAK (and reproducing our work) at https://github.com/MadryLab/trak .

We deployed an LLM agent with ReAct reasoning and full data access. It executed flawlessly, yet when asked "Why is completion rate 80%?", it returned metrics instead of causal explanation. The agent knew how to reason but we had not specified what to reason about. This reflects a gap: runtime reasoning frameworks (ReAct, Chain-of-Thought) have transformed LLM agents, but design-time specification--determining what domain knowledge agents need--remains under-explored. We propose 4D-ARE (4-Dimensional Attribution-Driven Agent Requirements Engineering), a preliminary methodology for specifying attribution-driven agents. The core insight: decision-makers seek attribution, not answers. Attribution concerns organize into four dimensions (Results -> Process -> Support -> Long-term), motivated by Pearl's causal hierarchy. The framework operationalizes through five layers producing artifacts that compile directly to system prompts. We demonstrate the methodology through an industrial pilot deployment in financial services. 4D-ARE addresses what agents should reason about, complementing runtime frameworks that address how. We hypothesize systematic specification amplifies the power of these foundational advances. This paper presents a methodological proposal with preliminary industrial validation; rigorous empirical evaluation is planned for future work.

Structural Causal Models (SCM) are a powerful framework for describing complicated dynamics across the natural sciences. A particularly elegant way of interpreting SCMs is do-Shapley, a game-theoretic method of quantifying the average effect of d variables across exponentially many interventions. Like Shapley values, computing do-Shapley values generally requires evaluating exponentially many terms. The foundation of our work is a reformulation of do-Shapley values in terms of the irreducible sets of the underlying SCM. Leveraging this insight, we can exactly compute do-Shapley values in time linear in the number of irreducible sets r, which itself can range from d to 2^d depending on the graph structure of the SCM. Since r is unknown a priori, we complement the exact algorithm with an estimator that, like general Shapley value estimators, can be run with any query budget. As the query budget approaches r, our estimators can produce more accurate estimates than prior methods by several orders of magnitude, and, when the budget reaches r, return the Shapley values up to machine precision. Beyond computational speed, we also reduce the identification burden: we prove that non-parametric identifiability of do-Shapley values requires only the identification of interventional effects for the d singleton coalitions, rather than all classes.

We describe nonparametric deconvolution models (NDMs), a family of Bayesian nonparametric models for collections of data in which each observation is the average over the features from heterogeneous particles. For example, these types of data are found in elections, where we observe precinct-level vote tallies (observations) of individual citizens' votes (particles) across each of the candidates or ballot measures (features), where each voter is part of a specific voter cohort or demographic (factor). Like the hierarchical Dirichlet process, NDMs rely on two tiers of Dirichlet processes to explain the data with an unknown number of latent factors; each observation is modeled as a weighted average of these latent factors. Unlike existing models, NDMs recover how factor distributions vary locally for each observation. This uniquely allows NDMs both to deconvolve each observation into its constituent factors, and also to describe how the factor distributions specific to each observation vary across observations and deviate from the corresponding global factors. We present variational inference techniques for this family of models and study its performance on simulated data and voting data from California. We show that including local factors improves estimates of global factors and provides a novel scaffold for exploring data.

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.

Failure attribution in multi-agent systems -- pinpointing the exact step where a decisive error occurs -- is a critical yet unsolved challenge. Current methods treat this as a pattern recognition task over long conversation logs, leading to critically low step-level accuracy (below 17\%), which renders them impractical for debugging complex systems. Their core weakness is a fundamental inability to perform robust counterfactual reasoning: to determine if correcting a single action would have actually averted the task failure. To bridge this counterfactual inference gap, we introduce Abduct-Act-Predict (A2P) Scaffolding, a novel agent framework that transforms failure attribution from pattern recognition into a structured causal inference task. A2P explicitly guides a large language model through a formal three-step reasoning process within a single inference pass: (1) Abduction, to infer the hidden root causes behind an agent's actions; (2) Action, to define a minimal corrective intervention; and (3) Prediction, to simulate the subsequent trajectory and verify if the intervention resolves the failure. This structured approach leverages the holistic context of the entire conversation while imposing a rigorous causal logic on the model's analysis. Our extensive experiments on the Who\&When benchmark demonstrate its efficacy. On the Algorithm-Generated dataset, A2P achieves 47.46\% step-level accuracy, a 2.85times improvement over the 16.67\% of the baseline. On the more complex Hand-Crafted dataset, it achieves 29.31\% step accuracy, a 2.43times improvement over the baseline's 12.07\%. By reframing the problem through a causal lens, A2P Scaffolding provides a robust, verifiable, and significantly more accurate solution for automated failure attribution. Ours code are released at https://github.com/ResearAI/A2P.

Failure attribution for LLM-based agentic systems, i.e., identifying which steps in a failure trajectory caused the task to fail, is critical for debugging and improving these systems. Existing approaches either rely on prompting-based pipelines, which are computationally expensive, or require post-training on failure trajectories with step-level error annotations, which are costly to collect and difficult to scale. We argue that a practical failure attribution model should be lightweight and trainable without step-level supervision on failure data. To this end, we address unsupervised failure attribution, i.e., training exclusively on successful trajectories and identifying error steps at inference time given a failure trajectory. We propose OAT, which casts this problem as one-class learning with neural controlled differential equations, modeling the dynamical pattern of successful trajectories in latent space. At inference time, each step in a failure trajectory is assigned an anomaly score based on its deviation from the dynamics learned on successful trajectories, which is then used to form a set of error steps. With training on only 100 successful trajectories, experiments show that OAT is 200--5000 times faster than prompting-based baselines, and, at the same time, consistently outperforms them in both in-domain and out-of-distribution datasets with +20% and +7% F1 scores, respectively, demonstrating that OAT is a promising and efficient direction for diagnosing agentic system failures.

Ensuring the reliability and availability of complex networked services demands effective root cause analysis (RCA) across cloud environments, data centers, and on-premises networks. Traditional RCA methods, which involve manual inspection of data sources such as logs and telemetry data, are often time-consuming and challenging for on-call engineers. While statistical inference methods have been employed to estimate the causality of network events, these approaches alone are similarly challenging and suffer from a lack of interpretability, making it difficult for engineers to understand the predictions made by black-box models. In this paper, we present RCACopilot, an advanced on-call system that combines statistical tests and large language model (LLM) reasoning to automate RCA across various network environments. RCACopilot gathers and synthesizes critical runtime diagnostic information, predicts the root cause of incidents, provides a clear explanatory narrative, and offers targeted action steps for engineers to resolve the issues. By utilizing LLM reasoning techniques and retrieval, RCACopilot delivers accurate and practical support for operators.

Factorizing a large matrix into small matrices is a popular strategy for model compression. Singular value decomposition (SVD) plays a vital role in this compression strategy, approximating a learned matrix with fewer parameters. However, SVD minimizes the squared error toward reconstructing the original matrix without gauging the importance of the parameters, potentially giving a larger reconstruction error for those who affect the task accuracy more. In other words, the optimization objective of SVD is not aligned with the trained model's task accuracy. We analyze this previously unexplored problem, make observations, and address it by introducing Fisher information to weigh the importance of parameters affecting the model prediction. This idea leads to our method: Fisher-Weighted SVD (FWSVD). Although the factorized matrices from our approach do not result in smaller reconstruction errors, we find that our resulting task accuracy is much closer to the original model's performance. We perform analysis with the transformer-based language models, showing our weighted SVD largely alleviates the mismatched optimization objectives and can maintain model performance with a higher compression rate. Our method can directly compress a task-specific model while achieving better performance than other compact model strategies requiring expensive model pre-training. Moreover, the evaluation of compressing an already compact model shows our method can further reduce 9% to 30% parameters with an insignificant impact on task accuracy.

Diffusion models achieve state-of-the-art performance in various generation tasks. However, their theoretical foundations fall far behind. This paper studies score approximation, estimation, and distribution recovery of diffusion models, when data are supported on an unknown low-dimensional linear subspace. Our result provides sample complexity bounds for distribution estimation using diffusion models. We show that with a properly chosen neural network architecture, the score function can be both accurately approximated and efficiently estimated. Furthermore, the generated distribution based on the estimated score function captures the data geometric structures and converges to a close vicinity of the data distribution. The convergence rate depends on the subspace dimension, indicating that diffusion models can circumvent the curse of data ambient dimensionality.

Discovering causal structures with latent variables from observational data is a fundamental challenge in causal discovery. Existing methods often rely on constraint-based, iterative discrete searches, limiting their scalability to large numbers of variables. Moreover, these methods frequently assume linearity or invertibility, restricting their applicability to real-world scenarios. We present new theoretical results on the identifiability of nonlinear latent hierarchical causal models, relaxing previous assumptions in literature about the deterministic nature of latent variables and exogenous noise. Building on these insights, we develop a novel differentiable causal discovery algorithm that efficiently estimates the structure of such models. To the best of our knowledge, this is the first work to propose a differentiable causal discovery method for nonlinear latent hierarchical models. Our approach outperforms existing methods in both accuracy and scalability. We demonstrate its practical utility by learning interpretable hierarchical latent structures from high-dimensional image data and demonstrate its effectiveness on downstream tasks.

Explaining the decisions of an Artificial Intelligence (AI) model is increasingly critical in many real-world, high-stake applications. Hundreds of papers have either proposed new feature attribution methods, discussed or harnessed these tools in their work. However, despite humans being the target end-users, most attribution methods were only evaluated on proxy automatic-evaluation metrics (Zhang et al. 2018; Zhou et al. 2016; Petsiuk et al. 2018). In this paper, we conduct the first user study to measure attribution map effectiveness in assisting humans in ImageNet classification and Stanford Dogs fine-grained classification, and when an image is natural or adversarial (i.e., contains adversarial perturbations). Overall, feature attribution is surprisingly not more effective than showing humans nearest training-set examples. On a harder task of fine-grained dog categorization, presenting attribution maps to humans does not help, but instead hurts the performance of human-AI teams compared to AI alone. Importantly, we found automatic attribution-map evaluation measures to correlate poorly with the actual human-AI team performance. Our findings encourage the community to rigorously test their methods on the downstream human-in-the-loop applications and to rethink the existing evaluation metrics.

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

We extend variational autoencoders (VAEs) to collaborative filtering for implicit feedback. This non-linear probabilistic model enables us to go beyond the limited modeling capacity of linear factor models which still largely dominate collaborative filtering research.We introduce a generative model with multinomial likelihood and use Bayesian inference for parameter estimation. Despite widespread use in language modeling and economics, the multinomial likelihood receives less attention in the recommender systems literature. We introduce a different regularization parameter for the learning objective, which proves to be crucial for achieving competitive performance. Remarkably, there is an efficient way to tune the parameter using annealing. The resulting model and learning algorithm has information-theoretic connections to maximum entropy discrimination and the information bottleneck principle. Empirically, we show that the proposed approach significantly outperforms several state-of-the-art baselines, including two recently-proposed neural network approaches, on several real-world datasets. We also provide extended experiments comparing the multinomial likelihood with other commonly used likelihood functions in the latent factor collaborative filtering literature and show favorable results. Finally, we identify the pros and cons of employing a principled Bayesian inference approach and characterize settings where it provides the most significant improvements.