Daily Papers

AI-generated image detectors achieve high accuracy on in-distribution data but often fail on unseen generators. A key obstacle to understanding this failure is the black-box nature of current detectors: they do not reveal which evidence drives their decisions. We propose ForensicConcept, a framework that extracts explicit forensic concepts from detectors and enables their transfer across backbones. Our method localizes decision-critical patches via Transformer attribution, clusters them into a compact concept codebook, and uses a concept-aligned projection to produce auditable evidence readouts. Motivated by prior studies showing that DINO representations can guide diffusion generation and exhibit concept-level correspondence with diffusion features, we introduce a generation-trace reference based on CleanDIFT diffusion features and quantify backbone-trace alignment via neighborhood-structure consistency (CKNNA). We further propose concept codebook injection to transfer diffusion-derived concepts into target backbones. Experiments on GenImage, GAN-family, and Chameleon benchmarks show consistent improvements over prior methods. We also find that CKNNA alignment predicts transfer effectiveness, providing a principled explanation for why some backbones yield more transferable forensic evidence than others.

This paper introduces Generalized Attention Flow (GAF), a novel feature attribution method for Transformer-based models to address the limitations of current approaches. By extending Attention Flow and replacing attention weights with the generalized Information Tensor, GAF integrates attention weights, their gradients, the maximum flow problem, and the barrier method to enhance the performance of feature attributions. The proposed method exhibits key theoretical properties and mitigates the shortcomings of prior techniques that rely solely on simple aggregation of attention weights. Our comprehensive benchmarking on sequence classification tasks demonstrates that a specific variant of GAF consistently outperforms state-of-the-art feature attribution methods in most evaluation settings, providing a more reliable interpretation of Transformer model outputs.

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

This work examines whether activating latent subspaces in language models (LLMs) can steer scientific code generation toward a specific programming language. Five causal LLMs were first evaluated on scientific coding prompts to quantify their baseline bias among four programming languages. A static neuron-attribution method, perturbing the highest activated MLP weight for a C++ or CPP token, proved brittle and exhibited limited generalization across prompt styles and model scales. To address these limitations, a gradient-refined adaptive activation steering framework (G-ACT) was developed: per-prompt activation differences are clustered into a small set of steering directions, and lightweight per-layer probes are trained and refined online to select the appropriate steering vector. In LLaMA-3.2 3B, this approach reliably biases generation towards the CPP language by increasing the average probe classification accuracy by 15% and the early layers (0-6) improving the probe classification accuracy by 61.5% compared to the standard ACT framework. For LLaMA-3.3 70B, where attention-head signals become more diffuse, targeted injections at key layers still improve language selection. Although per-layer probing introduces a modest inference overhead, it remains practical by steering only a subset of layers and enables reproducible model behavior. These results demonstrate a scalable, interpretable and efficient mechanism for concept-level control for practical agentic systems.

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.

Multi-head self-attention (MHSA) is a key component of Transformers, a widely popular architecture in both language and vision. Multiple heads intuitively enable different parallel processes over the same input. Yet, they also obscure the attribution of each input patch to the output of a model. We propose a novel 1-head Transformer Attention Bottleneck (TAB) layer, inserted after the traditional MHSA architecture, to serve as an attention bottleneck for interpretability and intervention. Unlike standard self-attention, TAB constrains the total attention over all patches to in [0, 1]. That is, when the total attention is 0, no visual information is propagated further into the network and the vision-language model (VLM) would default to a generic, image-independent response. To demonstrate the advantages of TAB, we train VLMs with TAB to perform image difference captioning. Over three datasets, our models perform similarly to baseline VLMs in captioning but the bottleneck is superior in localizing changes and in identifying when no changes occur. TAB is the first architecture to enable users to intervene by editing attention, which often produces expected outputs by VLMs.

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.

The proliferation of artificial intelligence (AI) in financial services has prompted growing demand for tools that can systematically detect AI-related disclosures in corporate filings. While prior approaches often rely on keyword expansion or document-level classification, they fall short in granularity, interpretability, and robustness. This study introduces FinAI-BERT, a domain-adapted transformer-based language model designed to classify AI-related content at the sentence level within financial texts. The model was fine-tuned on a manually curated and balanced dataset of 1,586 sentences drawn from 669 annual reports of U.S. banks (2015 to 2023). FinAI-BERT achieved near-perfect classification performance (accuracy of 99.37 percent, F1 score of 0.993), outperforming traditional baselines such as Logistic Regression, Naive Bayes, Random Forest, and XGBoost. Interpretability was ensured through SHAP-based token attribution, while bias analysis and robustness checks confirmed the model's stability across sentence lengths, adversarial inputs, and temporal samples. Theoretically, the study advances financial NLP by operationalizing fine-grained, theme-specific classification using transformer architectures. Practically, it offers a scalable, transparent solution for analysts, regulators, and scholars seeking to monitor the diffusion and framing of AI across financial institutions.

The usage of generative artificial intelligence (AI) tools based on large language models, including ChatGPT, Bard, and Claude, for text generation has many exciting applications with the potential for phenomenal productivity gains. One issue is authorship attribution when using AI tools. This is especially important in an academic setting where the inappropriate use of generative AI tools may hinder student learning or stifle research by creating a large amount of automatically generated derivative work. Existing plagiarism detection systems can trace the source of submitted text but are not yet equipped with methods to accurately detect AI-generated text. This paper introduces the idea of direct origin detection and evaluates whether generative AI systems can recognize their output and distinguish it from human-written texts. We argue why current transformer-based models may be able to self-detect their own generated text and perform a small empirical study using zero-shot learning to investigate if that is the case. Results reveal varying capabilities of AI systems to identify their generated text. Google's Bard model exhibits the largest capability of self-detection with an accuracy of 94\%, followed by OpenAI's ChatGPT with 83\%. On the other hand, Anthropic's Claude model seems to be not able to self-detect.

Analysis of 3D segmentation models, especially in the context of medical imaging, is often limited to segmentation performance metrics that overlook the crucial aspect of explainability and bias. Currently, effectively explaining these models with saliency maps is challenging due to the high dimensions of input images multiplied by the ever-growing number of segmented class labels. To this end, we introduce Agg^2Exp, a methodology for aggregating fine-grained voxel attributions of the segmentation model's predictions. Unlike classical explanation methods that primarily focus on the local feature attribution, Agg^2Exp enables a more comprehensive global view on the importance of predicted segments in 3D images. Our benchmarking experiments show that gradient-based voxel attributions are more faithful to the model's predictions than perturbation-based explanations. As a concrete use-case, we apply Agg^2Exp to discover knowledge acquired by the Swin UNEt TRansformer model trained on the TotalSegmentator v2 dataset for segmenting anatomical structures in computed tomography medical images. Agg^2Exp facilitates the explanatory analysis of large segmentation models beyond their predictive performance.

Large Language Models (LLMs) require efficient knowledge editing (KE) to update factual information, yet existing methods exhibit significant performance decay in multi-hop factual recall. This failure is particularly acute when edits involve intermediate implicit subjects within reasoning chains. Through causal analysis, we reveal that this limitation stems from an oversight of how chained knowledge is dynamically represented and utilized at the neuron level. We discover that during multi hop reasoning, implicit subjects function as query neurons, which sequentially activate corresponding value neurons across transformer layers to accumulate information toward the final answer, a dynamic prior KE work has overlooked. Guided by this insight, we propose ACE: Attribution-Controlled Knowledge Editing for Multi-hop Factual Recall, a framework that leverages neuron-level attribution to identify and edit these critical query-value (Q-V) pathways. ACE provides a mechanistically grounded solution for multi-hop KE, empirically outperforming state-of-the-art methods by 9.44% on GPT-J and 37.46% on Qwen3-8B. Our analysis further reveals more fine-grained activation patterns in Qwen3 and demonstrates that the semantic interpretability of value neurons is orchestrated by query-driven accumulation. These findings establish a new pathway for advancing KE capabilities based on the principled understanding of internal reasoning mechanisms.

Inference-time steering methods offer a lightweight alternative to fine-tuning large language models (LLMs) and vision-language models (VLMs) by modifying internal activations at test time without updating model weights. However, most existing approaches rely on fixed, global intervention vectors, overlook the causal influence of individual input tokens, and fail to leverage informative gradients from the model's logits, particularly in multimodal settings where visual and textual inputs contribute unevenly. To address these limitations, we introduce GrAInS, an inference-time steering approach that operates across both language-only and vision-language models and tasks. GrAInS uses contrastive, gradient-based attribution via Integrated Gradients to identify the top-k most influential tokens, both positively and negatively attributed based on their contribution to preferred versus dispreferred outputs. These tokens are then used to construct directional steering vectors that capture semantic shifts from undesirable to desirable behavior. During inference, GrAInS adjusts hidden activations at transformer layers guided by token-level attribution signals, and normalizes activations to preserve representational scale. This enables fine-grained, interpretable, and modular control over model behavior, without retraining or auxiliary supervision. Empirically, GrAInS consistently outperforms both fine-tuning and existing steering baselines: it achieves a 13.22% accuracy gain on TruthfulQA using Llama-3.1-8B, reduces hallucination rates on MMHal-Bench from 0.624 to 0.514 with LLaVA-1.6-7B, and improves alignment win rates on SPA-VL by 8.11%, all while preserving the model's fluency and general capabilities.

We propose a new approach for the authorship attribution task that leverages the various linguistic representations learned at different layers of pre-trained transformer-based models. We evaluate our approach on three datasets, comparing it to a state-of-the-art baseline in in-domain and out-of-domain scenarios. We found that utilizing various transformer layers improves the robustness of authorship attribution models when tested on out-of-domain data, resulting in new state-of-the-art results. Our analysis gives further insights into how our model's different layers get specialized in representing certain stylistic features that benefit the model when tested out of the domain.

Large-scale language models show promising text generation capabilities, but users cannot easily control particular aspects of the generated text. We release CTRL, a 1.63 billion-parameter conditional transformer language model, trained to condition on control codes that govern style, content, and task-specific behavior. Control codes were derived from structure that naturally co-occurs with raw text, preserving the advantages of unsupervised learning while providing more explicit control over text generation. These codes also allow CTRL to predict which parts of the training data are most likely given a sequence. This provides a potential method for analyzing large amounts of data via model-based source attribution. We have released multiple full-sized, pretrained versions of CTRL at https://github.com/salesforce/ctrl.

To interpret Vision Transformers, post-hoc explanations assign salience scores to input pixels, providing human-understandable heatmaps. However, whether these interpretations reflect true rationales behind the model's output is still underexplored. To address this gap, we study the faithfulness criterion of explanations: the assigned salience scores should represent the influence of the corresponding input pixels on the model's predictions. To evaluate faithfulness, we introduce Salience-guided Faithfulness Coefficient (SaCo), a novel evaluation metric leveraging essential information of salience distribution. Specifically, we conduct pair-wise comparisons among distinct pixel groups and then aggregate the differences in their salience scores, resulting in a coefficient that indicates the explanation's degree of faithfulness. Our explorations reveal that current metrics struggle to differentiate between advanced explanation methods and Random Attribution, thereby failing to capture the faithfulness property. In contrast, our proposed SaCo offers a reliable faithfulness measurement, establishing a robust metric for interpretations. Furthermore, our SaCo demonstrates that the use of gradient and multi-layer aggregation can markedly enhance the faithfulness of attention-based explanation, shedding light on potential paths for advancing Vision Transformer explainability.

Transformer-based methods have shown impressive performance in image restoration tasks, such as image super-resolution and denoising. However, we find that these networks can only utilize a limited spatial range of input information through attribution analysis. This implies that the potential of Transformer is still not fully exploited in existing networks. In order to activate more input pixels for better restoration, we propose a new Hybrid Attention Transformer (HAT). It combines both channel attention and window-based self-attention schemes, thus making use of their complementary advantages. Moreover, to better aggregate the cross-window information, we introduce an overlapping cross-attention module to enhance the interaction between neighboring window features. In the training stage, we additionally adopt a same-task pre-training strategy to further exploit the potential of the model for further improvement. Extensive experiments have demonstrated the effectiveness of the proposed modules. We further scale up the model to show that the performance of the SR task can be greatly improved. Besides, we extend HAT to more image restoration applications, including real-world image super-resolution, Gaussian image denoising and image compression artifacts reduction. Experiments on benchmark and real-world datasets demonstrate that our HAT achieves state-of-the-art performance both quantitatively and qualitatively. Codes and models are publicly available at https://github.com/XPixelGroup/HAT.

Online Social Networks serve as fertile ground for harmful behavior, ranging from hate speech to the dissemination of disinformation. Malicious actors now have unprecedented freedom to misbehave, leading to severe societal unrest and dire consequences, as exemplified by events such as the Capitol assault during the US presidential election and the Antivaxx movement during the COVID-19 pandemic. Understanding online language has become more pressing than ever. While existing works predominantly focus on content analysis, we aim to shift the focus towards understanding harmful behaviors by relating content to their respective authors. Numerous novel approaches attempt to learn the stylistic features of authors in texts, but many of these approaches are constrained by small datasets or sub-optimal training losses. To overcome these limitations, we introduce the Style Transformer for Authorship Representations (STAR), trained on a large corpus derived from public sources of 4.5 x 10^6 authored texts involving 70k heterogeneous authors. Our model leverages Supervised Contrastive Loss to teach the model to minimize the distance between texts authored by the same individual. This author pretext pre-training task yields competitive performance at zero-shot with PAN challenges on attribution and clustering. Additionally, we attain promising results on PAN verification challenges using a single dense layer, with our model serving as an embedding encoder. Finally, we present results from our test partition on Reddit. Using a support base of 8 documents of 512 tokens, we can discern authors from sets of up to 1616 authors with at least 80\% accuracy. We share our pre-trained model at huggingface (https://huggingface.co/AIDA-UPM/star) and our code is available at (https://github.com/jahuerta92/star)

The development of powerful natural language models have increased the ability to learn meaningful representations of protein sequences. In addition, advances in high-throughput mutagenesis, directed evolution, and next-generation sequencing have allowed for the accumulation of large amounts of labeled fitness data. Leveraging these two trends, we introduce Regularized Latent Space Optimization (ReLSO), a deep transformer-based autoencoder which features a highly structured latent space that is trained to jointly generate sequences as well as predict fitness. Through regularized prediction heads, ReLSO introduces a powerful protein sequence encoder and novel approach for efficient fitness landscape traversal. Using ReLSO, we explicitly model the sequence-function landscape of large labeled datasets and generate new molecules by optimizing within the latent space using gradient-based methods. We evaluate this approach on several publicly-available protein datasets, including variant sets of anti-ranibizumab and GFP. We observe a greater sequence optimization efficiency (increase in fitness per optimization step) by ReLSO compared to other approaches, where ReLSO more robustly generates high-fitness sequences. Furthermore, the attention-based relationships learned by the jointly-trained ReLSO models provides a potential avenue towards sequence-level fitness attribution information.

Detecting AI-generated code, deepfakes, and other synthetic content is an emerging research challenge. As code generated by Large Language Models (LLMs) becomes more common, identifying the specific model behind each sample is increasingly important. This paper presents the first systematic study of LLM authorship attribution for C programs. We released CodeT5-Authorship, a novel model that uses only the encoder layers from the original CodeT5 encoder-decoder architecture, discarding the decoder to focus on classification. Our model's encoder output (first token) is passed through a two-layer classification head with GELU activation and dropout, producing a probability distribution over possible authors. To evaluate our approach, we introduce LLM-AuthorBench, a benchmark of 32,000 compilable C programs generated by eight state-of-the-art LLMs across diverse tasks. We compare our model to seven traditional ML classifiers and eight fine-tuned transformer models, including BERT, RoBERTa, CodeBERT, ModernBERT, DistilBERT, DeBERTa-V3, Longformer, and LoRA-fine-tuned Qwen2-1.5B. In binary classification, our model achieves 97.56% accuracy in distinguishing C programs generated by closely related models such as GPT-4.1 and GPT-4o, and 95.40% accuracy for multi-class attribution among five leading LLMs (Gemini 2.5 Flash, Claude 3.5 Haiku, GPT-4.1, Llama 3.3, and DeepSeek-V3). To support open science, we release the CodeT5-Authorship architecture, the LLM-AuthorBench benchmark, and all relevant Google Colab scripts on GitHub: https://github.com/LLMauthorbench/.

Transformer-based methods have shown impressive performance in low-level vision tasks, such as image super-resolution. However, we find that these networks can only utilize a limited spatial range of input information through attribution analysis. This implies that the potential of Transformer is still not fully exploited in existing networks. In order to activate more input pixels for better reconstruction, we propose a novel Hybrid Attention Transformer (HAT). It combines both channel attention and window-based self-attention schemes, thus making use of their complementary advantages of being able to utilize global statistics and strong local fitting capability. Moreover, to better aggregate the cross-window information, we introduce an overlapping cross-attention module to enhance the interaction between neighboring window features. In the training stage, we additionally adopt a same-task pre-training strategy to exploit the potential of the model for further improvement. Extensive experiments show the effectiveness of the proposed modules, and we further scale up the model to demonstrate that the performance of this task can be greatly improved. Our overall method significantly outperforms the state-of-the-art methods by more than 1dB. Codes and models are available at https://github.com/XPixelGroup/HAT.

In this paper, we present the first large-scale study exploring whether JavaScript code generated by Large Language Models (LLMs) can reveal which model produced it, enabling reliable authorship attribution and model fingerprinting. With the rapid rise of AI-generated code, attribution is playing a critical role in detecting vulnerabilities, flagging malicious content, and ensuring accountability. While AI-vs-human detection usually treats AI as a single category we show that individual LLMs leave unique stylistic signatures, even among models belonging to the same family or parameter size. To this end, we introduce LLM-NodeJS, a dataset of 50,000 Node.js back-end programs from 20 large language models. Each has four transformed variants, yielding 250,000 unique JavaScript samples and two additional representations (JSIR and AST) for diverse research applications. Using this dataset, we benchmark traditional machine learning classifiers against fine-tuned Transformer encoders and introduce CodeT5-JSA, a custom architecture derived from the 770M-parameter CodeT5 model with its decoder removed and a modified classification head. It achieves 95.8% accuracy on five-class attribution, 94.6% on ten-class, and 88.5% on twenty-class tasks, surpassing other tested models such as BERT, CodeBERT, and Longformer. We demonstrate that classifiers capture deeper stylistic regularities in program dataflow and structure, rather than relying on surface-level features. As a result, attribution remains effective even after mangling, comment removal, and heavy code transformations. To support open science and reproducibility, we release the LLM-NodeJS dataset, Google Colab training scripts, and all related materials on GitHub: https://github.com/LLM-NodeJS-dataset.

We present NNN, an experimental Transformer-based neural network approach to marketing measurement. Unlike Marketing Mix Models (MMMs) which rely on scalar inputs and parametric decay functions, NNN uses rich embeddings to capture both quantitative and qualitative aspects of marketing and organic channels (e.g., search queries, ad creatives). This, combined with its attention mechanism, potentially enables NNN to model complex interactions, capture long-term effects, and improve sales attribution accuracy. We show that L1 regularization permits the use of such expressive models in typical data-constrained settings. Evaluating NNN on simulated and real-world data demonstrates its efficacy, particularly through considerable improvement in predictive power. In addition to marketing measurement, the NNN framework can provide valuable, complementary insights through model probing, such as evaluating keyword or creative effectiveness.

How do transformer-based large language models (LLMs) store and retrieve knowledge? We focus on the most basic form of this task -- factual recall, where the model is tasked with explicitly surfacing stored facts in prompts of form `Fact: The Colosseum is in the country of'. We find that the mechanistic story behind factual recall is more complex than previously thought. It comprises several distinct, independent, and qualitatively different mechanisms that additively combine, constructively interfering on the correct attribute. We term this generic phenomena the additive motif: models compute through summing up multiple independent contributions. Each mechanism's contribution may be insufficient alone, but summing results in constructive interfere on the correct answer. In addition, we extend the method of direct logit attribution to attribute an attention head's output to individual source tokens. We use this technique to unpack what we call `mixed heads' -- which are themselves a pair of two separate additive updates from different source tokens.

Retrieval-Augmented Generation (RAG) has become a powerful and widely used approach for improving large language models by grounding generation in retrieved evidence. However, RAG systems still produce incorrect answers in many cases. Why RAG fails despite having access to external information remains poorly understood. We present a model-internal study of retrieval-augmented generation that examines how retrieved evidence influences answer generation. Using circuit tracing, we construct attribution graphs that model the flow of information through transformer layers during decoding. These graphs represent interactions among retrieved context, intermediate model activations, and generated tokens, providing a graph, circuit-level view of how external evidence is integrated into the model's reasoning process across multiple question answering benchmarks, we observe consistent structural differences: correct predictions exhibit deeper reasoning paths, more distributed evidence flow, and a more structured pattern of local connectivity, while failed predictions show shallower, fragmented, and overly concentrated evidence flow. Building on these findings, we develop a graph-based error detection framework that uses attribution-graph topology features. Furthermore, we show that attribution graphs enable targeted interventions. By reinforcing question-constrained evidence grounding, we reshape internal routing so that answer generation remains guided by the question, leading to more effective integration of retrieved information and fewer errors.

Large Language Models are prone to biased predictions and hallucinations, underlining the paramount importance of understanding their model-internal reasoning process. However, achieving faithful attributions for the entirety of a black-box transformer model and maintaining computational efficiency is an unsolved challenge. By extending the Layer-wise Relevance Propagation attribution method to handle attention layers, we address these challenges effectively. While partial solutions exist, our method is the first to faithfully and holistically attribute not only input but also latent representations of transformer models with the computational efficiency similar to a singular backward pass. Through extensive evaluations against existing methods on Llama 2, Flan-T5 and the Vision Transformer architecture, we demonstrate that our proposed approach surpasses alternative methods in terms of faithfulness and enables the understanding of latent representations, opening up the door for concept-based explanations. We provide an open-source implementation on GitHub https://github.com/rachtibat/LRP-for-Transformers.

Optimization-based latent reasoning improves large language model outputs by optimizing instance-specific continuous states at test time while keeping model parameters frozen. Existing methods, however, typically connect these states to the reasoning trajectory through decoded tokens, making sequence-level credit assignment indirect and obscuring how latent updates shape subsequent reasoning. We introduce GradCuit (gradient through circuit), which inserts optimizable latent states at a selected Transformer layer between the hidden representations of the prompt and the generated continuation. Causal self-attention provides every continuation-token log-probability with a differentiable path to every preceding latent state through the remaining Transformer blocks, enabling reward-weighted gradients from the entire continuation to be assigned directly to the latents. Across five instruction-tuned backbones, three reasoning benchmarks, and two answer formats, GradCuit achieves an average accuracy of 64.5%, outperforming chain-of-thought prompting by 6.6 percentage points and the strongest competing method by 2.4 points. GradCuit also demonstrates greater robustness: across seven learning-rate settings, it consistently outperforms LatentSeek while reducing the standard deviation of accuracy from 1.53 to 0.82, and even its random-walk variant remains competitive with LatentSeek. For interpretability, token-level gradient attribution reveals that latent influence concentrates on reasoning-connector tokens, while layer analysis identifies early-to-middle Transformer layers as the most effective optimization space. By directly optimizing internal reasoning from outcome feedback, GradCuit opens a new axis of robust and interpretable test-time scaling, where LLMs adapt how they reason rather than merely regenerate, sample, or rerank outputs.

Adapting foundation models for specific purposes has become a standard approach to build machine learning systems for downstream applications. Yet, it is an open question which mechanisms take place during adaptation. Here we develop a new Sparse Autoencoder (SAE) for the CLIP vision transformer, named PatchSAE, to extract interpretable concepts at granular levels (e.g., shape, color, or semantics of an object) and their patch-wise spatial attributions. We explore how these concepts influence the model output in downstream image classification tasks and investigate how recent state-of-the-art prompt-based adaptation techniques change the association of model inputs to these concepts. While activations of concepts slightly change between adapted and non-adapted models, we find that the majority of gains on common adaptation tasks can be explained with the existing concepts already present in the non-adapted foundation model. This work provides a concrete framework to train and use SAEs for Vision Transformers and provides insights into explaining adaptation mechanisms.

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

Post-hoc explainability methods typically associate each output score of a deep neural network with an input-space direction, most commonly instantiated as the gradient and visualized as a saliency map. However, these approaches often yield explanations that are noisy, lack perceptual alignment and, thus, offer limited interpretability. While many explanation methods attempt to address this issue via modified backward rules or additional heuristics, such approaches are often difficult to justify theoretically and frequently fail basic sanity checks. We introduce Semantic Pullbacks (SP), a faithful and effective post-hoc explanation method for deep neural networks. Semantic Pullbacks address the limitations above by isolating the network's effective linear action via a principled pullback formulation and refining it to recover coherent local structures learned by the target neuron. As a result, SP produces perceptually aligned, class-conditional explanations that highlight meaningful features, support compelling counterfactual perturbations, and admit a clear theoretical motivation. Across standard faithfulness benchmarks, Semantic Pullbacks significantly outperform established attribution methods on both classical convolutional architectures (ResNet50, VGG) and transformer-based models (PVT), while remaining general and computationally efficient. Our method can be easily plugged into existing deep learning pipelines and extended to other modalities.

There has been significant debate in the NLP community about whether or not attention weights can be used as an explanation - a mechanism for interpreting how important each input token is for a particular prediction. The validity of "attention as explanation" has so far been evaluated by computing the rank correlation between attention-based explanations and existing feature attribution explanations using LSTM-based models. In our work, we (i) compare the rank correlation between five more recent feature attribution methods and two attention-based methods, on two types of NLP tasks, and (ii) extend this analysis to also include transformer-based models. We find that attention-based explanations do not correlate strongly with any recent feature attribution methods, regardless of the model or task. Furthermore, we find that none of the tested explanations correlate strongly with one another for the transformer-based model, leading us to question the underlying assumption that we should measure the validity of attention-based explanations based on how well they correlate with existing feature attribution explanation methods. After conducting experiments on five datasets using two different models, we argue that the community should stop using rank correlation as an evaluation metric for attention-based explanations. We suggest that researchers and practitioners should instead test various explanation methods and employ a human-in-the-loop process to determine if the explanations align with human intuition for the particular use case at hand.

Sparse autoencoders (SAEs) emerged as a promising tool for mechanistic interpretability of transformer-based foundation models. Very recently, SAEs were also adopted for the visual domain, enabling the discovery of visual concepts and their patch-wise attribution to tokens in the transformer model. While a growing number of foundation models emerged for medical imaging, tools for explaining their inferences are still lacking. In this work, we show the applicability of SAEs for hematology. We propose CytoSAE, a sparse autoencoder which is trained on over 40,000 peripheral blood single-cell images. CytoSAE generalizes to diverse and out-of-domain datasets, including bone marrow cytology, where it identifies morphologically relevant concepts which we validated with medical experts. Furthermore, we demonstrate scenarios in which CytoSAE can generate patient-specific and disease-specific concepts, enabling the detection of pathognomonic cells and localized cellular abnormalities at the patch level. We quantified the effect of concepts on a patient-level AML subtype classification task and show that CytoSAE concepts reach performance comparable to the state-of-the-art, while offering explainability on the sub-cellular level. Source code and model weights are available at https://github.com/dynamical-inference/cytosae.

There has been a growing interest in interpreting the underlying dynamics of Transformers. While self-attention patterns were initially deemed as the primary option, recent studies have shown that integrating other components can yield more accurate explanations. This paper introduces a novel token attribution analysis method that incorporates all the components in the encoder block and aggregates this throughout layers. Through extensive quantitative and qualitative experiments, we demonstrate that our method can produce faithful and meaningful global token attributions. Our experiments reveal that incorporating almost every encoder component results in increasingly more accurate analysis in both local (single layer) and global (the whole model) settings. Our global attribution analysis significantly outperforms previous methods on various tasks regarding correlation with gradient-based saliency scores. Our code is freely available at https://github.com/mohsenfayyaz/GlobEnc.

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.

Vision Transformers (ViTs) have become a dominant architecture in computer vision, yet producing stable and high-resolution attribution maps for these models remains challenging. Architectural components such as patch embeddings and attention routing often introduce structured artifacts in pixel-level explanations, causing many existing methods to rely on coarse patch-level attributions. We introduce DAVE (\underline{Distribution-aware Attribution via ViT Gradient DEcomposition)}, a mathematically grounded attribution method for ViTs based on a structured decomposition of the input gradient. By exploiting architectural properties of ViTs, DAVE isolates locally equivariant and stable components of the effective input--output mapping. It separates these from architecture-induced artifacts and other sources of instability.

Pretrained transformers achieve the state of the art across tasks in natural language processing, motivating researchers to investigate their inner mechanisms. One common direction is to understand what features are important for prediction. In this paper, we apply information bottlenecks to analyze the attribution of each feature for prediction on a black-box model. We use BERT as the example and evaluate our approach both quantitatively and qualitatively. We show the effectiveness of our method in terms of attribution and the ability to provide insight into how information flows through layers. We demonstrate that our technique outperforms two competitive methods in degradation tests on four datasets. Code is available at https://github.com/bazingagin/IBA.

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.

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.

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.

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.

Circuit analysis of any certain model behavior is a central task in mechanistic interpretability. We introduce our circuit discovery pipeline with Sparse Autoencoders (SAEs) and a variant called Transcoders. With these two modules inserted into the model, the model's computation graph with respect to OV and MLP circuits becomes strictly linear. Our methods do not require linear approximation to compute the causal effect of each node. This fine-grained graph identifies both end-to-end and local circuits accounting for either logits or intermediate features. We can scalably apply this pipeline with a technique called Hierarchical Attribution. We analyze three kinds of circuits in GPT-2 Small: bracket, induction, and Indirect Object Identification circuits. Our results reveal new findings underlying existing discoveries.

Through considerable effort and intuition, several recent works have reverse-engineered nontrivial behaviors of transformer models. This paper systematizes the mechanistic interpretability process they followed. First, researchers choose a metric and dataset that elicit the desired model behavior. Then, they apply activation patching to find which abstract neural network units are involved in the behavior. By varying the dataset, metric, and units under investigation, researchers can understand the functionality of each component. We automate one of the process' steps: to identify the circuit that implements the specified behavior in the model's computational graph. We propose several algorithms and reproduce previous interpretability results to validate them. For example, the ACDC algorithm rediscovered 5/5 of the component types in a circuit in GPT-2 Small that computes the Greater-Than operation. ACDC selected 68 of the 32,000 edges in GPT-2 Small, all of which were manually found by previous work. Our code is available at https://github.com/ArthurConmy/Automatic-Circuit-Discovery.

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.

Recent research in mechanistic interpretability has attempted to reverse-engineer Transformer models by carefully inspecting network weights and activations. However, these approaches require considerable manual effort and still fall short of providing complete, faithful descriptions of the underlying algorithms. In this work, we introduce a procedure for training Transformers that are mechanistically interpretable by design. We build on RASP [Weiss et al., 2021], a programming language that can be compiled into Transformer weights. Instead of compiling human-written programs into Transformers, we design a modified Transformer that can be trained using gradient-based optimization and then automatically converted into a discrete, human-readable program. We refer to these models as Transformer Programs. To validate our approach, we learn Transformer Programs for a variety of problems, including an in-context learning task, a suite of algorithmic problems (e.g. sorting, recognizing Dyck languages), and NLP tasks including named entity recognition and text classification. The Transformer Programs can automatically find reasonable solutions, performing on par with standard Transformers of comparable size; and, more importantly, they are easy to interpret. To demonstrate these advantages, we convert Transformers into Python programs and use off-the-shelf code analysis tools to debug model errors and identify the "circuits" used to solve different sub-problems. We hope that Transformer Programs open a new path toward the goal of intrinsically interpretable machine learning.

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.

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.

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.

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.

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 .

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.

Transformers have revolutionized machine learning, yet their inner workings remain opaque to many. We present Transformer Explainer, an interactive visualization tool designed for non-experts to learn about Transformers through the GPT-2 model. Our tool helps users understand complex Transformer concepts by integrating a model overview and enabling smooth transitions across abstraction levels of mathematical operations and model structures. It runs a live GPT-2 instance locally in the user's browser, empowering users to experiment with their own input and observe in real-time how the internal components and parameters of the Transformer work together to predict the next tokens. Our tool requires no installation or special hardware, broadening the public's education access to modern generative AI techniques. Our open-sourced tool is available at https://poloclub.github.io/transformer-explainer/. A video demo is available at https://youtu.be/ECR4oAwocjs.

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.

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.

Understanding the inner workings of machine learning models like Transformers is vital for their safe and ethical use. This paper provides a comprehensive analysis of a one-layer Transformer model trained to perform n-digit integer addition. Our findings suggest that the model dissects the task into parallel streams dedicated to individual digits, employing varied algorithms tailored to different positions within the digits. Furthermore, we identify a rare scenario characterized by high loss, which we explain. By thoroughly elucidating the model's algorithm, we provide new insights into its functioning. These findings are validated through rigorous testing and mathematical modeling, thereby contributing to the broader fields of model understanding and interpretability. Our approach opens the door for analyzing more complex tasks and multi-layer Transformer models.

The Transformer is a sequence model that forgoes traditional recurrent architectures in favor of a fully attention-based approach. Besides improving performance, an advantage of using attention is that it can also help to interpret a model by showing how the model assigns weight to different input elements. However, the multi-layer, multi-head attention mechanism in the Transformer model can be difficult to decipher. To make the model more accessible, we introduce an open-source tool that visualizes attention at multiple scales, each of which provides a unique perspective on the attention mechanism. We demonstrate the tool on BERT and OpenAI GPT-2 and present three example use cases: detecting model bias, locating relevant attention heads, and linking neurons to model behavior.

As the foundational architecture of modern machine learning, Transformers have driven remarkable progress across diverse AI domains. Despite their transformative impact, a persistent challenge across various Transformers is Attention Sink (AS), in which a disproportionate amount of attention is focused on a small subset of specific yet uninformative tokens. AS complicates interpretability, significantly affecting the training and inference dynamics, and exacerbates issues such as hallucinations. In recent years, substantial research has been dedicated to understanding and harnessing AS. However, a comprehensive survey that systematically consolidates AS-related research and offers guidance for future advancements remains lacking. To address this gap, we present the first survey on AS, structured around three key dimensions that define the current research landscape: Fundamental Utilization, Mechanistic Interpretation, and Strategic Mitigation. Our work provides a pivotal contribution by clarifying key concepts and guiding researchers through the evolution and trends of the field. We envision this survey as a definitive resource, empowering researchers and practitioners to effectively manage AS within the current Transformer paradigm, while simultaneously inspiring innovative advancements for the next generation of Transformers. The paper list of this work is available at https://github.com/ZunhaiSu/Awesome-Attention-Sink.

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.

As we show in this paper, the prediction for output token n+1 of Transformer architectures without one of the mechanisms of positional encodings and causal attention is invariant to permutations of input tokens 1, 2, ..., n-1. Usually, both mechanisms are employed and the symmetry with respect to the input tokens is broken. Recently, it has been shown that one can train Transformers without positional encodings. This must be enabled by the causal attention mechanism. In this paper, we elaborate on the argument that the causal connection mechanism must be responsible for the fact that Transformers are able to model input sequences where the order is important. Vertical "slices" of Transformers are all encouraged to represent the same location k in the input sequence. We hypothesize that residual connections contribute to this phenomenon, and demonstrate evidence for this.

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.

Understanding multimodal perception for embodied AI is an open question because such inputs may contain highly complementary as well as redundant information for the task. A relevant direction for multimodal policies is understanding the global trends of each modality at the fusion layer. To this end, we disentangle the attributions for visual, language, and previous action inputs across different policies trained on the ALFRED dataset. Attribution analysis can be utilized to rank and group the failure scenarios, investigate modeling and dataset biases, and critically analyze multimodal EAI policies for robustness and user trust before deployment. We present MAEA, a framework to compute global attributions per modality of any differentiable policy. In addition, we show how attributions enable lower-level behavior analysis in EAI policies for language and visual attributions.

Large language models are increasingly used to process documents and facilitate question-answering on them. In our paper, we extract mechanistic circuits for this real-world language modeling task: context-augmented language modeling for extractive question-answering (QA) tasks and understand the potential benefits of circuits towards downstream applications such as data attribution to context information. We extract circuits as a function of internal model components (e.g., attention heads, MLPs) using causal mediation analysis techniques. Leveraging the extracted circuits, we first understand the interplay between the model's usage of parametric memory and retrieved context towards a better mechanistic understanding of context-augmented language models. We then identify a small set of attention heads in our circuit which performs reliable data attribution by default, thereby obtaining attribution for free in just the model's forward pass. Using this insight, we then introduce ATTNATTRIB, a fast data attribution algorithm which obtains state-of-the-art attribution results across various extractive QA benchmarks. Finally, we show the possibility to steer the language model towards answering from the context, instead of the parametric memory by using the attribution from ATTNATTRIB as an additional signal during the forward pass. Beyond mechanistic understanding, our paper provides tangible applications of circuits in the form of reliable data attribution and model steering.

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.

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.

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.

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.

As Large Language Models (LLMs) are increasingly applied to document-based tasks - such as document summarization, question answering, and information extraction - where user requirements focus on retrieving information from provided documents rather than relying on the model's parametric knowledge, ensuring the trustworthiness and interpretability of these systems has become a critical concern. A central approach to addressing this challenge is attribution, which involves tracing the generated outputs back to their source documents. However, since LLMs can produce inaccurate or imprecise responses, it is crucial to assess the reliability of these citations. To tackle this, our work proposes two techniques. (1) A zero-shot approach that frames attribution as a straightforward textual entailment task. Our method using flan-ul2 demonstrates an improvement of 0.27% and 2.4% over the best baseline of ID and OOD sets of AttributionBench, respectively. (2) We also explore the role of the attention mechanism in enhancing the attribution process. Using a smaller LLM, flan-t5-small, the F1 scores outperform the baseline across almost all layers except layer 4 and layers 8 through 11.

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.

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}.

The transformer is a neural network component that can be used to learn useful representations of sequences or sets of data-points. The transformer has driven recent advances in natural language processing, computer vision, and spatio-temporal modelling. There are many introductions to transformers, but most do not contain precise mathematical descriptions of the architecture and the intuitions behind the design choices are often also missing. Moreover, as research takes a winding path, the explanations for the components of the transformer can be idiosyncratic. In this note we aim for a mathematically precise, intuitive, and clean description of the transformer architecture. We will not discuss training as this is rather standard. We assume that the reader is familiar with fundamental topics in machine learning including multi-layer perceptrons, linear transformations, softmax functions and basic probability.

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.

Attribution is a key concept in large language models (LLMs) as it enables control over information sources and enhances the factuality of LLMs. While existing approaches utilize open book question answering to improve attribution, factual datasets may reward language models to recall facts that they already know from their pretraining data, not attribution. In contrast, counterfactual open book QA datasets would further improve attribution because the answer could only be grounded in the given text. We propose Hallucination Augmented Recitations (HAR) for creating counterfactual datasets by utilizing hallucination in LLMs to improve attribution. For open book QA as a case study, we demonstrate that models finetuned with our counterfactual datasets improve text grounding, leading to better open book QA performance, with up to an 8.0% increase in F1 score. Our counterfactual dataset leads to significantly better performance than using humanannotated factual datasets, even with 4x smaller datasets and 4x smaller models. We observe that improvements are consistent across various model sizes and datasets, including multi-hop, biomedical, and adversarial QA datasets.

Open-domain generative systems have gained significant attention in the field of conversational AI (e.g., generative search engines). This paper presents a comprehensive review of the attribution mechanisms employed by these systems, particularly large language models. Though attribution or citation improve the factuality and verifiability, issues like ambiguous knowledge reservoirs, inherent biases, and the drawbacks of excessive attribution can hinder the effectiveness of these systems. The aim of this survey is to provide valuable insights for researchers, aiding in the refinement of attribution methodologies to enhance the reliability and veracity of responses generated by open-domain generative systems. We believe that this field is still in its early stages; hence, we maintain a repository to keep track of ongoing studies at https://github.com/HITsz-TMG/awesome-llm-attributions.

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.

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.

Self-attention techniques, and specifically Transformers, are dominating the field of text processing and are becoming increasingly popular in computer vision classification tasks. In order to visualize the parts of the image that led to a certain classification, existing methods either rely on the obtained attention maps or employ heuristic propagation along the attention graph. In this work, we propose a novel way to compute relevancy for Transformer networks. The method assigns local relevance based on the Deep Taylor Decomposition principle and then propagates these relevancy scores through the layers. This propagation involves attention layers and skip connections, which challenge existing methods. Our solution is based on a specific formulation that is shown to maintain the total relevancy across layers. We benchmark our method on very recent visual Transformer networks, as well as on a text classification problem, and demonstrate a clear advantage over the existing explainability methods.

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

This paper introduces a framework specifically designed for sparse and irregular time series {risk estimation}. It is based on a Transformer Autoencoder with local attention, which leverages the powerful pattern identification capabilities of transformers complemented by traditional data cleaning and normalization methods. It efficiently captures relevant patterns within irregular sequences suffering from sparse data collection, benefiting from the discriminative ability of the local attention mechanism. The proposed framework is applied to a real-world case study, on the risk estimation of non-technical losses in electrical power systems in a wide area in Greece. Non-technical losses in electrical power systems, primarily stemming from electricity theft, pose significant economic and operational challenges. Detecting these anomalies is particularly challenging due to the inherent sparse and irregular nature of real-world data collection practices. Traditional risk estimation methods struggle with effectively capturing long-range dependencies and robustly handling such data characteristics. We demonstrate that our approach effectively yields highly discriminative latent features, which results in more consistent risk estimation compared with existing state-of-the-art and widely used methods. It achieves high recall and precision, meeting the critical objectives of the problem. As such, our solution offers a robust and effective tool for risk detection in irregular time series datasets.

Transformers, composed of multiple self-attention layers, hold strong promises toward a generic learning primitive applicable to different data modalities, including the recent breakthroughs in computer vision achieving state-of-the-art (SOTA) standard accuracy. What remains largely unexplored is their robustness evaluation and attribution. In this work, we study the robustness of the Vision Transformer (ViT) against common corruptions and perturbations, distribution shifts, and natural adversarial examples. We use six different diverse ImageNet datasets concerning robust classification to conduct a comprehensive performance comparison of ViT models and SOTA convolutional neural networks (CNNs), Big-Transfer. Through a series of six systematically designed experiments, we then present analyses that provide both quantitative and qualitative indications to explain why ViTs are indeed more robust learners. For example, with fewer parameters and similar dataset and pre-training combinations, ViT gives a top-1 accuracy of 28.10% on ImageNet-A which is 4.3x higher than a comparable variant of BiT. Our analyses on image masking, Fourier spectrum sensitivity, and spread on discrete cosine energy spectrum reveal intriguing properties of ViT attributing to improved robustness. Code for reproducing our experiments is available at https://git.io/J3VO0.

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}.

A recent focus of large language model (LLM) development, as exemplified by generative search engines, is to incorporate external references to generate and support their claims. However, evaluating the attribution, i.e., verifying whether the generated statement is indeed fully supported by the cited reference, remains an open problem. Although human evaluation is common practice, it is costly and time-consuming. In this paper, we investigate the automatic evaluation of attribution by LLMs. We begin by providing a definition of attribution and then explore two approaches for automatic evaluation: prompting LLMs and fine-tuning smaller LMs. The fine-tuning data is repurposed from related tasks, such as question answering, fact-checking, natural language inference, and summarization. To facilitate the evaluation, we manually curate a set of test examples covering 12 domains from a generative search engine, New Bing. Our results on the curated test set and simulated test examples from existing benchmark questions highlight both promising signals as well as remaining challenges for the automatic evaluation of attribution. We hope our testbed, modeling methodology, and insights will help lay the foundation for future studies on this important problem.

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 .

Flowcharts are a critical tool for visualizing decision-making processes. However, their non-linear structure and complex visual-textual relationships make it challenging to interpret them using LLMs, as vision-language models frequently hallucinate nonexistent connections and decision paths when analyzing these diagrams. This leads to compromised reliability for automated flowchart processing in critical domains such as logistics, health, and engineering. We introduce the task of Fine-grained Flowchart Attribution, which traces specific components grounding a flowchart referring LLM response. Flowchart Attribution ensures the verifiability of LLM predictions and improves explainability by linking generated responses to the flowchart's structure. We propose FlowPathAgent, a neurosymbolic agent that performs fine-grained post hoc attribution through graph-based reasoning. It first segments the flowchart, then converts it into a structured symbolic graph, and then employs an agentic approach to dynamically interact with the graph, to generate attribution paths. Additionally, we present FlowExplainBench, a novel benchmark for evaluating flowchart attributions across diverse styles, domains, and question types. Experimental results show that FlowPathAgent mitigates visual hallucinations in LLM answers over flowchart QA, outperforming strong baselines by 10-14% on our proposed FlowExplainBench dataset.

Language models (LMs) now excel at many tasks such as few-shot learning, question answering, reasoning, and dialog. However, they sometimes generate unsupported or misleading content. A user cannot easily determine whether their outputs are trustworthy or not, because most LMs do not have any built-in mechanism for attribution to external evidence. To enable attribution while still preserving all the powerful advantages of recent generation models, we propose RARR (Retrofit Attribution using Research and Revision), a system that 1) automatically finds attribution for the output of any text generation model and 2) post-edits the output to fix unsupported content while preserving the original output as much as possible. When applied to the output of several state-of-the-art LMs on a diverse set of generation tasks, we find that RARR significantly improves attribution while otherwise preserving the original input to a much greater degree than previously explored edit models. Furthermore, the implementation of RARR requires only a handful of training examples, a large language model, and standard web search.

Transformers exhibit impressive capabilities but are often regarded as black boxes due to challenges in understanding the complex nonlinear relationships between features. Interpreting machine learning models is of paramount importance to mitigate risks, and mechanistic interpretability is in particular of current interest as it opens up a window for guiding manual modifications and reverse-engineering solutions. In this work, we introduce contextual decomposition for transformers (CD-T), extending a prior work on CD for RNNs and CNNs, to address mechanistic interpretation computationally efficiently. CD-T is a flexible interpretation method for transformers. It can capture contributions of combinations of input features or source internal components (e.g. attention heads, feed-forward networks) to (1) final predictions or (2) the output of any target internal component. Using CD-T, we propose a novel algorithm for circuit discovery. On a real-world pathology report classification task: we show CD-T distills a more faithful circuit of attention heads with improved computational efficiency (speed up 2x) than a prior benchmark, path patching. As a versatile interpretation method, CD-T also exhibits exceptional capabilities for local interpretations. CD-T is shown to reliably find words and phrases of contrasting sentiment/topic on SST-2 and AGNews datasets. Through human experiments, we demonstrate CD-T enables users to identify the more accurate of two models and to better trust a model's outputs compared to alternative interpretation methods such as SHAP and LIME.

Transformers have achieved great success in many artificial intelligence fields, such as natural language processing, computer vision, and audio processing. Therefore, it is natural to attract lots of interest from academic and industry researchers. Up to the present, a great variety of Transformer variants (a.k.a. X-formers) have been proposed, however, a systematic and comprehensive literature review on these Transformer variants is still missing. In this survey, we provide a comprehensive review of various X-formers. We first briefly introduce the vanilla Transformer and then propose a new taxonomy of X-formers. Next, we introduce the various X-formers from three perspectives: architectural modification, pre-training, and applications. Finally, we outline some potential directions for future research.

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.

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.

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.

An emerging solution for explaining Transformer-based models is to use vector-based analysis on how the representations are formed. However, providing a faithful vector-based explanation for a multi-layer model could be challenging in three aspects: (1) Incorporating all components into the analysis, (2) Aggregating the layer dynamics to determine the information flow and mixture throughout the entire model, and (3) Identifying the connection between the vector-based analysis and the model's predictions. In this paper, we present DecompX to tackle these challenges. DecompX is based on the construction of decomposed token representations and their successive propagation throughout the model without mixing them in between layers. Additionally, our proposal provides multiple advantages over existing solutions for its inclusion of all encoder components (especially nonlinear feed-forward networks) and the classification head. The former allows acquiring precise vectors while the latter transforms the decomposition into meaningful prediction-based values, eliminating the need for norm- or summation-based vector aggregation. According to the standard faithfulness evaluations, DecompX consistently outperforms existing gradient-based and vector-based approaches on various datasets. Our code is available at https://github.com/mohsenfayyaz/DecompX.

Pretrained Transformers achieve remarkable performance when training and test data are from the same distribution. However, in real-world scenarios, the model often faces out-of-distribution (OOD) instances that can cause severe semantic shift problems at inference time. Therefore, in practice, a reliable model should identify such instances, and then either reject them during inference or pass them over to models that handle another distribution. In this paper, we develop an unsupervised OOD detection method, in which only the in-distribution (ID) data are used in training. We propose to fine-tune the Transformers with a contrastive loss, which improves the compactness of representations, such that OOD instances can be better differentiated from ID ones. These OOD instances can then be accurately detected using the Mahalanobis distance in the model's penultimate layer. We experiment with comprehensive settings and achieve near-perfect OOD detection performance, outperforming baselines drastically. We further investigate the rationales behind the improvement, finding that more compact representations through margin-based contrastive learning bring the improvement. We release our code to the community for future research.

Transformer is a deep neural network that employs a self-attention mechanism to comprehend the contextual relationships within sequential data. Unlike conventional neural networks or updated versions of Recurrent Neural Networks (RNNs) such as Long Short-Term Memory (LSTM), transformer models excel in handling long dependencies between input sequence elements and enable parallel processing. As a result, transformer-based models have attracted substantial interest among researchers in the field of artificial intelligence. This can be attributed to their immense potential and remarkable achievements, not only in Natural Language Processing (NLP) tasks but also in a wide range of domains, including computer vision, audio and speech processing, healthcare, and the Internet of Things (IoT). Although several survey papers have been published highlighting the transformer's contributions in specific fields, architectural differences, or performance evaluations, there is still a significant absence of a comprehensive survey paper encompassing its major applications across various domains. Therefore, we undertook the task of filling this gap by conducting an extensive survey of proposed transformer models from 2017 to 2022. Our survey encompasses the identification of the top five application domains for transformer-based models, namely: NLP, Computer Vision, Multi-Modality, Audio and Speech Processing, and Signal Processing. We analyze the impact of highly influential transformer-based models in these domains and subsequently classify them based on their respective tasks using a proposed taxonomy. Our aim is to shed light on the existing potential and future possibilities of transformers for enthusiastic researchers, thus contributing to the broader understanding of this groundbreaking technology.

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.

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.

Token attribution methods provide intuitive explanations for language model outputs by identifying causally important input tokens. However, as modern LLMs increasingly rely on extended reasoning chains, existing schemes face two critical challenges: (1) efficiency bottleneck, where attributing a target span of M tokens within a context of length N requires O(M*N) operations, making long-context attribution prohibitively slow; and (2) faithfulness drop, where intermediate reasoning tokens absorb attribution mass, preventing importance from propagating back to the original input. To address these, we introduce FlashTrace, an efficient multi-token attribution method that employs span-wise aggregation to compute attribution over multi-token targets in a single pass, while maintaining faithfulness. Moreover, we design a recursive attribution mechanism that traces importance through intermediate reasoning chains back to source inputs. Extensive experiments on long-context retrieval (RULER) and multi-step reasoning (MATH, MorehopQA) tasks demonstrate that FlashTrace achieves over 130x speedup over existing baselines while maintaining superior faithfulness. We further analyze the dynamics of recursive attribution, showing that even a single recursive hop improves faithfulness by tracing importance through the reasoning chain.

Vision Transformer models exhibit immense power yet remain opaque to human understanding, posing challenges and risks for practical applications. While prior research has attempted to demystify these models through input attribution and neuron role analysis, there's been a notable gap in considering layer-level information and the holistic path of information flow across layers. In this paper, we investigate the significance of influential neuron paths within vision Transformers, which is a path of neurons from the model input to output that impacts the model inference most significantly. We first propose a joint influence measure to assess the contribution of a set of neurons to the model outcome. And we further provide a layer-progressive neuron locating approach that efficiently selects the most influential neuron at each layer trying to discover the crucial neuron path from input to output within the target model. Our experiments demonstrate the superiority of our method finding the most influential neuron path along which the information flows, over the existing baseline solutions. Additionally, the neuron paths have illustrated that vision Transformers exhibit some specific inner working mechanism for processing the visual information within the same image category. We further analyze the key effects of these neurons on the image classification task, showcasing that the found neuron paths have already preserved the model capability on downstream tasks, which may also shed some lights on real-world applications like model pruning. The project website including implementation code is available at https://foundation-model-research.github.io/NeuronPath/.

Feature attribution methods (FAs), such as gradients and attention, are widely employed approaches to derive the importance of all input features to the model predictions. Existing work in natural language processing has mostly focused on developing and testing FAs for encoder-only language models (LMs) in classification tasks. However, it is unknown if it is faithful to use these FAs for decoder-only models on text generation, due to the inherent differences between model architectures and task settings respectively. Moreover, previous work has demonstrated that there is no `one-wins-all' FA across models and tasks. This makes the selection of a FA computationally expensive for large LMs since input importance derivation often requires multiple forward and backward passes including gradient computations that might be prohibitive even with access to large compute. To address these issues, we present a model-agnostic FA for generative LMs called Recursive Attribution Generator (ReAGent). Our method updates the token importance distribution in a recursive manner. For each update, we compute the difference in the probability distribution over the vocabulary for predicting the next token between using the original input and using a modified version where a part of the input is replaced with RoBERTa predictions. Our intuition is that replacing an important token in the context should have resulted in a larger change in the model's confidence in predicting the token than replacing an unimportant token. Our method can be universally applied to any generative LM without accessing internal model weights or additional training and fine-tuning, as most other FAs require. We extensively compare the faithfulness of ReAGent with seven popular FAs across six decoder-only LMs of various sizes. The results show that our method consistently provides more faithful token importance distributions.

Transformer architecture has widespread applications, particularly in Natural Language Processing and computer vision. Recently Transformers have been employed in various aspects of time-series analysis. This tutorial provides an overview of the Transformer architecture, its applications, and a collection of examples from recent research papers in time-series analysis. We delve into an explanation of the core components of the Transformer, including the self-attention mechanism, positional encoding, multi-head, and encoder/decoder. Several enhancements to the initial, Transformer architecture are highlighted to tackle time-series tasks. The tutorial also provides best practices and techniques to overcome the challenge of effectively training Transformers for time-series analysis.

Humans recognize anomalies through two aspects: larger patch-wise representation discrepancies and weaker patch-to-normal-patch correlations. However, the previous AD methods didn't sufficiently combine the two complementary aspects to design AD models. To this end, we find that Transformer can ideally satisfy the two aspects as its great power in the unified modeling of patch-wise representations and patch-to-patch correlations. In this paper, we propose a novel AD framework: FOcus-the-Discrepancy (FOD), which can simultaneously spot the patch-wise, intra- and inter-discrepancies of anomalies. The major characteristic of our method is that we renovate the self-attention maps in transformers to Intra-Inter-Correlation (I2Correlation). The I2Correlation contains a two-branch structure to first explicitly establish intra- and inter-image correlations, and then fuses the features of two-branch to spotlight the abnormal patterns. To learn the intra- and inter-correlations adaptively, we propose the RBF-kernel-based target-correlations as learning targets for self-supervised learning. Besides, we introduce an entropy constraint strategy to solve the mode collapse issue in optimization and further amplify the normal-abnormal distinguishability. Extensive experiments on three unsupervised real-world AD benchmarks show the superior performance of our approach. Code will be available at https://github.com/xcyao00/FOD.

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.

As generative AI systems become competent and democratized in science, business, and government, deeper insight into their failure modes now poses an acute need. The occasional volatility in their behavior, such as the propensity of transformer models to hallucinate, impedes trust and adoption of emerging AI solutions in high-stakes areas. In the present work, we establish how and when hallucinations arise in pre-trained transformer models through concept representations captured by sparse autoencoders, under scenarios with experimentally controlled uncertainty in the input space. Our systematic experiments reveal that the number of semantic concepts used by the transformer model grows as the input information becomes increasingly unstructured. In the face of growing uncertainty in the input space, the transformer model becomes prone to activate coherent yet input-insensitive semantic features, leading to hallucinated output. At its extreme, for pure-noise inputs, we identify a wide variety of robustly triggered and meaningful concepts in the intermediate activations of pre-trained transformer models, whose functional integrity we confirm through targeted steering. We also show that hallucinations in the output of a transformer model can be reliably predicted from the concept patterns embedded in transformer layer activations. This collection of insights on transformer internal processing mechanics has immediate consequences for aligning AI models with human values, AI safety, opening the attack surface for potential adversarial attacks, and providing a basis for automatic quantification of a model's hallucination risk.

As grounded QA systems are increasingly deployed in AI assistants, accurately attributing generated answers to evidence is critical for user trust and model safety. While unimodal attributions have been explored in depth, the multimodal setting remains relatively under-researched. As a result, we introduce MultAttnAttrib, a training-free attribution-generation method that leverages a model's prefill pass, selected attention heads, and calibrated thresholds to locate source evidence within a document. To establish baseline results for the method, we introduce MultAttrEval, a complementary benchmark dataset annotated with fine-grained, ground-truth attributions for answer components grounded in multimodal source documents. To our knowledge, this is the first evaluation dataset designed specifically for multimodal attribution in long-form documents. Experimental results show that MultAttnAttrib consistently outperforms a variety of attribution-generation methods, including several strong prompting-based approaches and matches the latest frontier models such as GPT 5.4. Our method not only substantially improves attribution accuracy for both unimodal and multimodal attribution types, but also produces attributions at up to one-seventh of the direct inference latency compared to prompting on the same base model.

Transformer models are revolutionizing machine learning, but their inner workings remain mysterious. In this work, we present a new visualization technique designed to help researchers understand the self-attention mechanism in transformers that allows these models to learn rich, contextual relationships between elements of a sequence. The main idea behind our method is to visualize a joint embedding of the query and key vectors used by transformer models to compute attention. Unlike previous attention visualization techniques, our approach enables the analysis of global patterns across multiple input sequences. We create an interactive visualization tool, AttentionViz, based on these joint query-key embeddings, and use it to study attention mechanisms in both language and vision transformers. We demonstrate the utility of our approach in improving model understanding and offering new insights about query-key interactions through several application scenarios and expert feedback.

Transformers demonstrate impressive performance on a range of reasoning benchmarks. To evaluate the degree to which these abilities are a result of actual reasoning, existing work has focused on developing sophisticated benchmarks for behavioral studies. However, these studies do not provide insights into the internal mechanisms driving the observed capabilities. To improve our understanding of the internal mechanisms of transformers, we present a comprehensive mechanistic analysis of a transformer trained on a synthetic reasoning task. We identify a set of interpretable mechanisms the model uses to solve the task, and validate our findings using correlational and causal evidence. Our results suggest that it implements a depth-bounded recurrent mechanisms that operates in parallel and stores intermediate results in selected token positions. We anticipate that the motifs we identified in our synthetic setting can provide valuable insights into the broader operating principles of transformers and thus provide a basis for understanding more complex models.

Grounded text generation models often produce content that deviates from their source material, requiring user verification to ensure accuracy. Existing attribution methods associate entire sentences with source documents, which can be overwhelming for users seeking to fact-check specific claims. In contrast, existing sub-sentence attribution methods may be more precise but fail to align with users' interests. In light of these limitations, we introduce Localized Attribution Queries (LAQuer), a new task that localizes selected spans of generated output to their corresponding source spans, allowing fine-grained and user-directed attribution. We compare two approaches for the LAQuer task, including prompting large language models (LLMs) and leveraging LLM internal representations. We then explore a modeling framework that extends existing attributed text generation methods to LAQuer. We evaluate this framework across two grounded text generation tasks: Multi-document Summarization (MDS) and Long-form Question Answering (LFQA). Our findings show that LAQuer methods significantly reduce the length of the attributed text. Our contributions include: (1) proposing the LAQuer task to enhance attribution usability, (2) suggesting a modeling framework and benchmarking multiple baselines, and (3) proposing a new evaluation setting to promote future research on localized attribution in content-grounded generation.

Information flows by routes inside the network via mechanisms implemented in the model. These routes can be represented as graphs where nodes correspond to token representations and edges to operations inside the network. We automatically build these graphs in a top-down manner, for each prediction leaving only the most important nodes and edges. In contrast to the existing workflows relying on activation patching, we do this through attribution: this allows us to efficiently uncover existing circuits with just a single forward pass. Additionally, the applicability of our method is far beyond patching: we do not need a human to carefully design prediction templates, and we can extract information flow routes for any prediction (not just the ones among the allowed templates). As a result, we can talk about model behavior in general, for specific types of predictions, or different domains. We experiment with Llama 2 and show that the role of some attention heads is overall important, e.g. previous token heads and subword merging heads. Next, we find similarities in Llama 2 behavior when handling tokens of the same part of speech. Finally, we show that some model components can be specialized on domains such as coding or multilingual texts.

Despite the success of Siamese encoder models such as sentence transformers (ST), little is known about the aspects of inputs they pay attention to. A barrier is that their predictions cannot be attributed to individual features, as they compare two inputs rather than processing a single one. This paper derives a local attribution method for Siamese encoders by generalizing the principle of integrated gradients to models with multiple inputs. The solution takes the form of feature-pair attributions, and can be reduced to a token-token matrix for STs. Our method involves the introduction of integrated Jacobians and inherits the advantageous formal properties of integrated gradients: it accounts for the model's full computation graph and is guaranteed to converge to the actual prediction. A pilot study shows that in an ST few token-pairs can often explain large fractions of predictions, and it focuses on nouns and verbs. For accurate predictions, it however needs to attend to the majority of tokens and parts of speech.

Understanding Transformer-based models has attracted significant attention, as they lie at the heart of recent technological advances across machine learning. While most interpretability methods rely on running models over inputs, recent work has shown that a zero-pass approach, where parameters are interpreted directly without a forward/backward pass is feasible for some Transformer parameters, and for two-layer attention networks. In this work, we present a theoretical analysis where all parameters of a trained Transformer are interpreted by projecting them into the embedding space, that is, the space of vocabulary items they operate on. We derive a simple theoretical framework to support our arguments and provide ample evidence for its validity. First, an empirical analysis showing that parameters of both pretrained and fine-tuned models can be interpreted in embedding space. Second, we present two applications of our framework: (a) aligning the parameters of different models that share a vocabulary, and (b) constructing a classifier without training by ``translating'' the parameters of a fine-tuned classifier to parameters of a different model that was only pretrained. Overall, our findings open the door to interpretation methods that, at least in part, abstract away from model specifics and operate in the embedding space only.

Transformers are widely used to extract semantic meanings from input tokens, yet they usually operate as black-box models. In this paper, we present a simple yet informative decomposition of hidden states (or embeddings) of trained transformers into interpretable components. For any layer, embedding vectors of input sequence samples are represented by a tensor h in R^{C times T times d}. Given embedding vector h_{c,t} in R^d at sequence position t le T in a sequence (or context) c le C, extracting the mean effects yields the decomposition \[ h_{c,t} = \mu + pos_t + ctx_c + resid_{c,t} \] where mu is the global mean vector, pos_t and ctx_c are the mean vectors across contexts and across positions respectively, and resid_{c,t} is the residual vector. For popular transformer architectures and diverse text datasets, empirically we find pervasive mathematical structure: (1) (pos_t)_{t} forms a low-dimensional, continuous, and often spiral shape across layers, (2) (ctx_c)_c shows clear cluster structure that falls into context topics, and (3) (pos_t)_{t} and (ctx_c)_c are mutually nearly orthogonal. We argue that smoothness is pervasive and beneficial to transformers trained on languages, and our decomposition leads to improved model interpretability.

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.

The recent boom of linear forecasting models questions the ongoing passion for architectural modifications of Transformer-based forecasters. These forecasters leverage Transformers to model the global dependencies over temporal tokens of time series, with each token formed by multiple variates of the same timestamp. However, Transformers are challenged in forecasting series with larger lookback windows due to performance degradation and computation explosion. Besides, the embedding for each temporal token fuses multiple variates that represent potential delayed events and distinct physical measurements, which may fail in learning variate-centric representations and result in meaningless attention maps. In this work, we reflect on the competent duties of Transformer components and repurpose the Transformer architecture without any modification to the basic components. We propose iTransformer that simply applies the attention and feed-forward network on the inverted dimensions. Specifically, the time points of individual series are embedded into variate tokens which are utilized by the attention mechanism to capture multivariate correlations; meanwhile, the feed-forward network is applied for each variate token to learn nonlinear representations. The iTransformer model achieves state-of-the-art on challenging real-world datasets, which further empowers the Transformer family with promoted performance, generalization ability across different variates, and better utilization of arbitrary lookback windows, making it a nice alternative as the fundamental backbone of time series forecasting. Code is available at this repository: https://github.com/thuml/iTransformer.

Despite the growing use of transformer models in computer vision, a mechanistic understanding of these networks is still needed. This work introduces a method to reverse-engineer Vision Transformers trained to solve image classification tasks. Inspired by previous research in NLP, we demonstrate how the inner representations at any level of the hierarchy can be projected onto the learned class embedding space to uncover how these networks build categorical representations for their predictions. We use our framework to show how image tokens develop class-specific representations that depend on attention mechanisms and contextual information, and give insights on how self-attention and MLP layers differentially contribute to this categorical composition. We additionally demonstrate that this method (1) can be used to determine the parts of an image that would be important for detecting the class of interest, and (2) exhibits significant advantages over traditional linear probing approaches. Taken together, our results position our proposed framework as a powerful tool for mechanistic interpretability and explainability research.

The multi-head self-attention mechanism of the transformer model has been thoroughly investigated recently. In one vein of study, researchers are interested in understanding why and how transformers work. In another vein, researchers propose new attention augmentation methods to make transformers more accurate, efficient and interpretable. In this paper, we combine these two lines of research in a human-in-the-loop pipeline to first discover important task-specific attention patterns. Then those patterns are injected, not only to smaller models, but also to the original model. The benefits of our pipeline and discovered patterns are demonstrated in two case studies with extractive summarization and topic segmentation. After discovering interpretable patterns in BERT-based models fine-tuned for the two downstream tasks, experiments indicate that when we inject the patterns into attention heads, the models show considerable improvements in accuracy and efficiency.

Transformers and their derivatives have achieved state-of-the-art performance across text, vision, and speech recognition tasks. However, minimal effort has been made to train transformers capable of evaluating the output quality of other models. This paper examines SwinV2-based reward models, called the Input-Output Transformer (IO Transformer) and the Output Transformer. These reward models can be leveraged for tasks such as inference quality evaluation, data categorization, and policy optimization. Our experiments demonstrate highly accurate model output quality assessment across domains where the output is entirely dependent on the input, with the IO Transformer achieving perfect evaluation accuracy on the Change Dataset 25 (CD25). We also explore modified Swin V2 architectures. Ultimately Swin V2 remains on top with a score of 95.41 % on the IO Segmentation Dataset, outperforming the IO Transformer in scenarios where the output is not entirely dependent on the input. Our work expands the application of transformer architectures to reward modeling in computer vision and provides critical insights into optimizing these models for various tasks.

Transformer-based large language models have achieved remarkable performance across various natural language processing tasks. However, they often struggle with seemingly easy tasks like arithmetic despite their vast capabilities. This stark disparity raise human's concerns about their safe and ethical use, hinder their widespread adoption.In this paper, we focus on a typical arithmetic task, integer multiplication, to explore and explain the imperfection of transformers in this domain. We provide comprehensive analysis of a vanilla transformer trained to perform n-digit integer multiplication. Our observations indicate that the model decomposes multiplication task into multiple parallel subtasks, sequentially optimizing each subtask for each digit to complete the final multiplication. Based on observation and analysis, we infer the reasons of transformers deficiencies in multiplication tasks lies in their difficulty in calculating successive carryovers and caching intermediate results, and confirmed this inference through experiments. Guided by these findings, we propose improvements to enhance transformers performance on multiplication tasks. These enhancements are validated through rigorous testing and mathematical modeling, not only enhance transformer's interpretability, but also improve its performance, e.g., we achieve over 99.9% accuracy on 5-digit integer multiplication with a tiny transformer, outperform LLMs GPT-4. Our method contributes to the broader fields of model understanding and interpretability, paving the way for analyzing more complex tasks and Transformer models. This work underscores the importance of explainable AI, helping to build trust in large language models and promoting their adoption in critical applications.

Transformer has been considered the dominating neural architecture in NLP and CV, mostly under supervised settings. Recently, a similar surge of using Transformers has appeared in the domain of reinforcement learning (RL), but it is faced with unique design choices and challenges brought by the nature of RL. However, the evolution of Transformers in RL has not yet been well unraveled. In this paper, we seek to systematically review motivations and progress on using Transformers in RL, provide a taxonomy on existing works, discuss each sub-field, and summarize future prospects.

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.

Recent years have seen a phenomenal rise in performance and applications of transformer neural networks. The family of transformer networks, including Bidirectional Encoder Representations from Transformer (BERT), Generative Pretrained Transformer (GPT) and Vision Transformer (ViT), have shown their effectiveness across Natural Language Processing (NLP) and Computer Vision (CV) domains. Transformer-based networks such as ChatGPT have impacted the lives of common men. However, the quest for high predictive performance has led to an exponential increase in transformers' memory and compute footprint. Researchers have proposed techniques to optimize transformer inference at all levels of abstraction. This paper presents a comprehensive survey of techniques for optimizing the inference phase of transformer networks. We survey techniques such as knowledge distillation, pruning, quantization, neural architecture search and lightweight network design at the algorithmic level. We further review hardware-level optimization techniques and the design of novel hardware accelerators for transformers. We summarize the quantitative results on the number of parameters/FLOPs and accuracy of several models/techniques to showcase the tradeoff exercised by them. We also outline future directions in this rapidly evolving field of research. We believe that this survey will educate both novice and seasoned researchers and also spark a plethora of research efforts in this field.

Transformer model architectures have garnered immense interest lately due to their effectiveness across a range of domains like language, vision and reinforcement learning. In the field of natural language processing for example, Transformers have become an indispensable staple in the modern deep learning stack. Recently, a dizzying number of "X-former" models have been proposed - Reformer, Linformer, Performer, Longformer, to name a few - which improve upon the original Transformer architecture, many of which make improvements around computational and memory efficiency. With the aim of helping the avid researcher navigate this flurry, this paper characterizes a large and thoughtful selection of recent efficiency-flavored "X-former" models, providing an organized and comprehensive overview of existing work and models across multiple domains.

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.

Language Generation Models produce words based on the previous context. Although existing methods offer input attributions as explanations for a model's prediction, it is still unclear how prior words affect the model's decision throughout the layers. In this work, we leverage recent advances in explainability of the Transformer and present a procedure to analyze models for language generation. Using contrastive examples, we compare the alignment of our explanations with evidence of the linguistic phenomena, and show that our method consistently aligns better than gradient-based and perturbation-based baselines. Then, we investigate the role of MLPs inside the Transformer and show that they learn features that help the model predict words that are grammatically acceptable. Lastly, we apply our method to Neural Machine Translation models, and demonstrate that they generate human-like source-target alignments for building predictions.

Sequential DeepFake detection is an emerging task that predicts the manipulation sequence in order. Existing methods typically formulate it as an image-to-sequence problem, employing conventional Transformer architectures. However, these methods lack dedicated design and consequently result in limited performance. As such, this paper describes a new Transformer design, called {TSOM}, by exploring three perspectives: Texture, Shape, and Order of Manipulations. Our method features four major improvements: 182 we describe a new texture-aware branch that effectively captures subtle manipulation traces with a Diversiform Pixel Difference Attention module. 183 Then we introduce a Multi-source Cross-attention module to seek deep correlations among spatial and sequential features, enabling effective modeling of complex manipulation traces. 184 To further enhance the cross-attention, we describe a Shape-guided Gaussian mapping strategy, providing initial priors of the manipulation shape. 185 Finally, observing that the subsequent manipulation in a sequence may influence traces left in the preceding one, we intriguingly invert the prediction order from forward to backward, leading to notable gains as expected. Building upon TSOM, we introduce an extended method, {TSOM++}, which additionally explores Relation of manipulations: 186 we propose a new sequential contrastive learning scheme to capture relationships between various manipulation types in sequence, further enhancing the detection of manipulation traces. We conduct extensive experiments in comparison with several state-of-the-art methods, demonstrating the superiority of our method. The code has been released at https://github.com/OUC-VAS/TSOM.