Daily Papers

Agentic systems built on large language models (LLMs) offer promising capabilities for automating complex workflows in healthcare AI. We introduce mAIstro, an open-source, autonomous multi-agentic framework for end-to-end development and deployment of medical AI models. The system orchestrates exploratory data analysis, radiomic feature extraction, image segmentation, classification, and regression through a natural language interface, requiring no coding from the user. Built on a modular architecture, mAIstro supports both open- and closed-source LLMs, and was evaluated using a large and diverse set of prompts across 16 open-source datasets, covering a wide range of imaging modalities, anatomical regions, and data types. The agents successfully executed all tasks, producing interpretable outputs and validated models. This work presents the first agentic framework capable of unifying data analysis, AI model development, and inference across varied healthcare applications, offering a reproducible and extensible foundation for clinical and research AI integration. The code is available at: https://github.com/eltzanis/mAIstro

Large language models (LLMs) have demonstrated remarkable capabilities in natural language understanding and task generalization. However, their application to structured data analysis remains fragile due to inconsistencies in schema interpretation, misalignment between user intent and model output, and limited mechanisms for self-correction when failures occur. This paper introduces the STROT Framework (Structured Task Reasoning and Output Transformation), a method for structured prompting and feedback-driven transformation logic generation aimed at improving the reliability and semantic alignment of LLM-based analytical workflows. STROT begins with lightweight schema introspection and sample-based field classification, enabling dynamic context construction that captures both the structure and statistical profile of the input data. This contextual information is embedded in structured prompts that guide the model toward generating task-specific, interpretable outputs. To address common failure modes in complex queries, STROT incorporates a refinement mechanism in which the model iteratively revises its outputs based on execution feedback and validation signals. Unlike conventional approaches that rely on static prompts or single-shot inference, STROT treats the LLM as a reasoning agent embedded within a controlled analysis loop -- capable of adjusting its output trajectory through planning and correction. The result is a robust and reproducible framework for reasoning over structured data with LLMs, applicable to diverse data exploration and analysis tasks where interpretability, stability, and correctness are essential.

While large language models (LLMs) have achieved impressive progress, their application in scientific domains such as chemistry remains hindered by shallow domain understanding and limited reasoning capabilities. In this work, we focus on the specific field of chemistry and develop a Chemical Reasoner LLM, ChemDFM-R. We first construct a comprehensive dataset of atomized knowledge points to enhance the model's understanding of the fundamental principles and logical structure of chemistry. Then, we propose a mix-sourced distillation strategy that integrates expert-curated knowledge with general-domain reasoning skills, followed by domain-specific reinforcement learning to enhance chemical reasoning. Experiments on diverse chemical benchmarks demonstrate that ChemDFM-R achieves state-of-the-art performance while providing interpretable, rationale-driven outputs. Further case studies illustrate how explicit reasoning chains significantly improve the reliability, transparency, and practical utility of the model in real-world human-AI collaboration scenarios.

Vision-language models (VLMs) have advanced reasoning in natural scenes, but their role in medical imaging remains underexplored. Medical reasoning tasks demand robust image analysis and well-justified answers, posing challenges due to the complexity of medical images. Transparency and trustworthiness are essential for clinical adoption and regulatory compliance. We introduce Med-R1, a framework exploring reinforcement learning (RL) to enhance VLMs' generalizability and trustworthiness in medical reasoning. Leveraging the DeepSeek strategy, we employ Group Relative Policy Optimization (GRPO) to guide reasoning paths via reward signals. Unlike supervised fine-tuning (SFT), which often overfits and lacks generalization, RL fosters robust and diverse reasoning. Med-R1 is evaluated across eight medical imaging modalities: CT, MRI, Ultrasound, Dermoscopy, Fundus Photography, Optical Coherence Tomography (OCT), Microscopy, and X-ray Imaging. Compared to its base model, Qwen2-VL-2B, Med-R1 achieves a 29.94% accuracy improvement and outperforms Qwen2-VL-72B, which has 36 times more parameters. Testing across five question types-modality recognition, anatomy identification, disease diagnosis, lesion grading, and biological attribute analysis Med-R1 demonstrates superior generalization, exceeding Qwen2-VL-2B by 32.06% and surpassing Qwen2-VL-72B in question-type generalization. These findings show that RL improves medical reasoning and enables parameter-efficient models to outperform significantly larger ones. With interpretable reasoning outputs, Med-R1 represents a promising step toward generalizable, trustworthy, and clinically viable medical VLMs.

This paper addresses the task of video question answering (videoQA) via a decomposed multi-stage, modular reasoning framework. Previous modular methods have shown promise with a single planning stage ungrounded in visual content. However, through a simple and effective baseline, we find that such systems can lead to brittle behavior in practice for challenging videoQA settings. Thus, unlike traditional single-stage planning methods, we propose a multi-stage system consisting of an event parser, a grounding stage, and a final reasoning stage in conjunction with an external memory. All stages are training-free, and performed using few-shot prompting of large models, creating interpretable intermediate outputs at each stage. By decomposing the underlying planning and task complexity, our method, MoReVQA, improves over prior work on standard videoQA benchmarks (NExT-QA, iVQA, EgoSchema, ActivityNet-QA) with state-of-the-art results, and extensions to related tasks (grounded videoQA, paragraph captioning).

Recently we have witnessed the rapid development of video question answering models. However, most models can only handle simple videos in terms of temporal reasoning, and their performance tends to drop when answering temporal-reasoning questions on long and informative videos. To tackle this problem we propose STAIR, a Spatial-Temporal Reasoning model with Auditable Intermediate Results for video question answering. STAIR is a neural module network, which contains a program generator to decompose a given question into a hierarchical combination of several sub-tasks, and a set of lightweight neural modules to complete each of these sub-tasks. Though neural module networks are already widely studied on image-text tasks, applying them to videos is a non-trivial task, as reasoning on videos requires different abilities. In this paper, we define a set of basic video-text sub-tasks for video question answering and design a set of lightweight modules to complete them. Different from most prior works, modules of STAIR return intermediate outputs specific to their intentions instead of always returning attention maps, which makes it easier to interpret and collaborate with pre-trained models. We also introduce intermediate supervision to make these intermediate outputs more accurate. We conduct extensive experiments on several video question answering datasets under various settings to show STAIR's performance, explainability, compatibility with pre-trained models, and applicability when program annotations are not available. Code: https://github.com/yellow-binary-tree/STAIR

Explainable Reinforcement Learning (XRL) can provide transparency into the decision-making process of a Deep Reinforcement Learning (DRL) model and increase user trust and adoption in real-world use cases. By utilizing XRL techniques, researchers can identify potential vulnerabilities within a trained DRL model prior to deployment, therefore limiting the potential for mission failure or mistakes by the system. This paper introduces the ARLIN (Assured RL Model Interrogation) Toolkit, an open-source Python library that identifies potential vulnerabilities and critical points within trained DRL models through detailed, human-interpretable explainability outputs. To illustrate ARLIN's effectiveness, we provide explainability visualizations and vulnerability analysis for a publicly available DRL model. The open-source code repository is available for download at https://github.com/mitre/arlin.

Scientific diagrams are vital tools for communicating structured knowledge across disciplines. However, they are often published as static raster images, losing symbolic semantics and limiting reuse. While Multimodal Large Language Models (MLLMs) offer a pathway to bridging vision and structure, existing methods lack semantic control and structural interpretability, especially on complex diagrams. We propose Draw with Thought (DwT), a training-free framework that guides MLLMs to reconstruct diagrams into editable mxGraph XML code through cognitively-grounded Chain-of-Thought reasoning. DwT enables interpretable and controllable outputs without model fine-tuning by dividing the task into two stages: Coarse-to-Fine Planning, which handles perceptual structuring and semantic specification, and Structure-Aware Code Generation, enhanced by format-guided refinement. To support evaluation, we release Plot2XML, a benchmark of 247 real-world scientific diagrams with gold-standard XML annotations. Extensive experiments across eight MLLMs show that our approach yields high-fidelity, semantically aligned, and structurally valid reconstructions, with human evaluations confirming strong alignment in both accuracy and visual aesthetics, offering a scalable solution for converting static visuals into executable representations and advancing machine understanding of scientific graphics.

Combining pre-trained expert models offers substantial potential for scalable multimodal reasoning, but building a unified framework remains challenging due to the increasing diversity of input modalities and task complexity. For instance, medical diagnosis requires precise reasoning over structured clinical tables, while financial forecasting depends on interpreting plot-based data to make informed predictions. To tackle this challenge, we introduce MEXA, a training-free framework that performs modality- and task-aware aggregation of multiple expert models to enable effective multimodal reasoning across diverse and distinct domains. MEXA dynamically selects expert models based on the input modality and the task-specific reasoning demands (i.e., skills). Each expert model, specialized in a modality task pair, generates interpretable textual reasoning outputs. MEXA then aggregates and reasons over these outputs using a Large Reasoning Model (LRM) to produce the final answer. This modular design allows flexible and transparent multimodal reasoning across diverse domains without additional training overhead. We extensively evaluate our approach on diverse multimodal benchmarks, including Video Reasoning, Audio Reasoning, 3D Understanding, and Medical QA. MEXA consistently delivers performance improvements over strong multimodal baselines, highlighting the effectiveness and broad applicability of our expert-driven selection and aggregation in diverse multimodal reasoning tasks.

Compound Expression Recognition (CER), a subfield of affective computing, aims to detect complex emotional states formed by combinations of basic emotions. In this work, we present a novel zero-shot multimodal approach for CER that combines six heterogeneous modalities into a single pipeline: static and dynamic facial expressions, scene and label matching, scene context, audio, and text. Unlike previous approaches relying on task-specific training data, our approach uses zero-shot components, including Contrastive Language-Image Pretraining (CLIP)-based label matching and Qwen-VL for semantic scene understanding. We further introduce a Multi-Head Probability Fusion (MHPF) module that dynamically weights modality-specific predictions, followed by a Compound Expressions (CE) transformation module that uses Pair-Wise Probability Aggregation (PPA) and Pair-Wise Feature Similarity Aggregation (PFSA) methods to produce interpretable compound emotion outputs. Evaluated under multi-corpus training, the proposed approach shows F1 scores of 46.95% on AffWild2, 49.02% on Acted Facial Expressions in The Wild (AFEW), and 34.85% on C-EXPR-DB via zero-shot testing, which is comparable to the results of supervised approaches trained on target data. This demonstrates the effectiveness of the proposed approach for capturing CE without domain adaptation. The source code is publicly available.

We propose a novel interpretation technique to explain the behavior of structured output models, which learn mappings between an input vector to a set of output variables simultaneously. Because of the complex relationship between the computational path of output variables in structured models, a feature can affect the value of output through other ones. We focus on one of the outputs as the target and try to find the most important features utilized by the structured model to decide on the target in each locality of the input space. In this paper, we assume an arbitrary structured output model is available as a black box and argue how considering the correlations between output variables can improve the explanation performance. The goal is to train a function as an interpreter for the target output variable over the input space. We introduce an energy-based training process for the interpreter function, which effectively considers the structural information incorporated into the model to be explained. The effectiveness of the proposed method is confirmed using a variety of simulated and real data sets.

Understanding and predicting human emotional and physiological states using wearable sensors has important applications in stress monitoring, mental health assessment, and affective computing. This study presents a novel Multi-Task Physics-Informed Neural Network (PINN) that performs Electrodermal Activity (EDA) prediction and emotion classification simultaneously, using the publicly available WESAD dataset. The model integrates psychological self-report features (PANAS and SAM) with a physics-inspired differential equation representing EDA dynamics, enforcing biophysically grounded constraints through a custom loss function. This loss combines EDA regression, emotion classification, and a physics residual term for improved interpretability. The architecture supports dual outputs for both tasks and is trained under a unified multi-task framework. Evaluated using 5-fold cross-validation, the model achieves an average EDA RMSE of 0.0362, Pearson correlation of 0.9919, and F1-score of 94.08 percent. These results outperform classical models such as SVR and XGBoost, as well as ablated variants like emotion-only and EDA-only models. In addition, the learned physical parameters including decay rate (alpha_0), emotional sensitivity (beta), and time scaling (gamma) are interpretable and stable across folds, aligning with known principles of human physiology. This work is the first to introduce a multi-task PINN framework for wearable emotion recognition, offering improved performance, generalizability, and model transparency. The proposed system provides a foundation for future interpretable and multimodal applications in healthcare and human-computer interaction.

Retrosynthesis prediction aims to infer the reactant molecule based on a given product molecule, which is a fundamental task in chemical synthesis. However, existing models rely on static pattern-matching paradigm, which limits their ability to perform effective logic decision-making, leading to black-box decision-making. Building on this, we propose Retro-Expert, an interpretable retrosynthesis framework that performs collaborative reasoning by combining the complementary reasoning strengths of Large Language Models and specialized models via reinforcement learning. It outputs natural language explanations grounded in chemical logic through three components: (1) specialized models perform shallow reasoning to construct high-quality chemical decision space, (2) LLM-driven critical reasoning to generate predictions and corresponding interpretable reasoning path, and (3) reinforcement learning optimizing interpretable decision policy. Experiments show that Retro-Expert not only surpasses both LLM-based and specialized models across different metrics but also provides expert-aligned explanations that bridge the gap between AI predictions and actionable chemical insights.

Mapping high-fidelity 3D geometry to a representation that allows for intuitive edits remains an elusive goal in computer vision and graphics. The key challenge is the need to model both continuous and discrete shape variations. Current approaches, such as implicit shape representation, lack straightforward interpretable encoding, while others that employ procedural methods output coarse geometry. We present GeoCode, a technique for 3D shape synthesis using an intuitively editable parameter space. We build a novel program that enforces a complex set of rules and enables users to perform intuitive and controlled high-level edits that procedurally propagate at a low level to the entire shape. Our program produces high-quality mesh outputs by construction. We use a neural network to map a given point cloud or sketch to our interpretable parameter space. Once produced by our procedural program, shapes can be easily modified. Empirically, we show that GeoCode can infer and recover 3D shapes more accurately compared to existing techniques and we demonstrate its ability to perform controlled local and global shape manipulations.

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

Pretrained generative models have opened new frontiers in brain decoding by enabling the synthesis of realistic texts and images from non-invasive brain recordings. However, the reliability of such outputs remains questionable--whether they truly reflect semantic activation in the brain, or are merely hallucinated by the powerful generative models. In this paper, we focus on EEG-to-text decoding and address its hallucination issue through the lens of posterior collapse. Acknowledging the underlying mismatch in information capacity between EEG and text, we reframe the decoding task as semantic summarization of core meanings rather than previously verbatim reconstruction of stimulus texts. To this end, we propose the Generative Language Inspection Model (GLIM), which emphasizes learning informative and interpretable EEG representations to improve semantic grounding under heterogeneous and small-scale data conditions. Experiments on the public ZuCo dataset demonstrate that GLIM consistently generates fluent, EEG-grounded sentences without teacher forcing. Moreover, it supports more robust evaluation beyond text similarity, through EEG-text retrieval and zero-shot semantic classification across sentiment categories, relation types, and corpus topics. Together, our architecture and evaluation protocols lay the foundation for reliable and scalable benchmarking in generative brain decoding.

We propose UniTAB that Unifies Text And Box outputs for grounded vision-language (VL) modeling. Grounded VL tasks such as grounded captioning require the model to generate a text description and align predicted words with object regions. To achieve this, models must generate desired text and box outputs together, and meanwhile indicate the alignments between words and boxes. In contrast to existing solutions that use multiple separate modules for different outputs, UniTAB represents both text and box outputs with a shared token sequence, and introduces a special <obj> token to naturally indicate word-box alignments in the sequence. UniTAB thus could provide a more comprehensive and interpretable image description, by freely grounding generated words to object regions. On grounded captioning, UniTAB presents a simpler solution with a single output head, and significantly outperforms state of the art in both grounding and captioning evaluations. On general VL tasks that have different desired output formats (i.e., text, box, or their combination), UniTAB with a single network achieves better or comparable performance than task-specific state of the art. Experiments cover 7 VL benchmarks, including grounded captioning, visual grounding, image captioning, and visual question answering. Furthermore, UniTAB's unified multi-task network and the task-agnostic output sequence design make the model parameter efficient and generalizable to new tasks.

Drug discovery is a complex and resource-intensive process, making early prediction of approval outcomes critical for optimizing research investments. While classical machine learning and deep learning methods have shown promise in drug approval prediction, their limited interpretability constraints their impact. Here, we present DrugReasoner, a reasoning-based large language model (LLM) built on the LLaMA architecture and fine-tuned with group relative policy optimization (GRPO) to predict the likelihood of small-molecule approval. DrugReasoner integrates molecular descriptors with comparative reasoning against structurally similar approved and unapproved compounds, generating predictions alongside step-by-step rationales and confidence scores. DrugReasoner achieved robust performance with an AUC of 0.732 and an F1 score of 0.729 on the validation set and 0.725 and 0.718 on the test set, respectively. These results outperformed conventional baselines, including logistic regression, support vector machine, and k-nearest neighbors and had competitive performance relative to XGBoost. On an external independent dataset, DrugReasoner outperformed both baseline and the recently developed ChemAP model, achieving an AUC of 0.728 and an F1-score of 0.774, while maintaining high precision and balanced sensitivity, demonstrating robustness in real-world scenarios. These findings demonstrate that DrugReasoner not only delivers competitive predictive accuracy but also enhances transparency through its reasoning outputs, thereby addressing a key bottleneck in AI-assisted drug discovery. This study highlights the potential of reasoning-augmented LLMs as interpretable and effective tools for pharmaceutical decision-making.

Proteins are essential biological macromolecules that execute life functions. Local motifs within protein structures, such as active sites, are the most critical components for linking structure to function and are key to understanding protein evolution and enabling protein engineering. Existing computational methods struggle to identify and compare these local structures, which leaves a significant gap in understanding protein structures and harnessing their functions. This study presents PLASMA, the first deep learning framework for efficient and interpretable residue-level protein substructure alignment. We reformulate the problem as a regularized optimal transport task and leverage differentiable Sinkhorn iterations. For a pair of input protein structures, PLASMA outputs a clear alignment matrix with an interpretable overall similarity score. Through extensive quantitative evaluations and three biological case studies, we demonstrate that PLASMA achieves accurate, lightweight, and interpretable residue-level alignment. Additionally, we introduce PLASMA-PF, a training-free variant that provides a practical alternative when training data are unavailable. Our method addresses a critical gap in protein structure analysis tools and offers new opportunities for functional annotation, evolutionary studies, and structure-based drug design. Reproducibility is ensured via our official implementation at https://github.com/ZW471/PLASMA-Protein-Local-Alignment.git.

Large Language Models (LLMs) are increasingly relied upon to evaluate text outputs of other LLMs, thereby influencing leaderboards and development decisions. However, concerns persist over the accuracy of these assessments and the potential for misleading conclusions. In this work, we investigate the effectiveness of LLMs as evaluators for text generation tasks. We propose FBI, a novel framework designed to examine the proficiency of Evaluator LLMs in assessing four critical abilities in other LLMs: factual accuracy, instruction following, coherence in long-form writing, and reasoning proficiency. By introducing targeted perturbations in answers generated by LLMs, that clearly impact one of these key capabilities, we test whether an Evaluator LLM can detect these quality drops. By creating a total of 2400 perturbed answers covering 22 perturbation categories, we conduct a comprehensive study using different evaluation strategies on five prominent LLMs commonly used as evaluators in the literature. Our findings reveal significant shortcomings in current Evaluator LLMs, which failed to identify quality drops in over 50\% of cases on average. Single-answer and pairwise evaluations demonstrated notable limitations, whereas reference-based evaluations showed comparatively better performance. These results underscore the unreliable nature of current Evaluator LLMs and advocate for cautious implementation in practical applications. Code and data are available at https://github.com/AI4Bharat/FBI.

Reinforcement learning from human feedback (RLHF) has emerged as the primary method for aligning large language models (LLMs) with human preferences. The RLHF process typically starts by training a reward model (RM) using human preference data. Conventional RMs are trained on pairwise responses to the same user request, with relative ratings indicating which response humans prefer. The trained RM serves as a proxy for human preferences. However, due to the black-box nature of RMs, their outputs lack interpretability, as humans cannot intuitively understand why an RM thinks a response is good or not. As RMs act as human preference proxies, we believe they should be human-interpretable to ensure that their internal decision processes are consistent with human preferences and to prevent reward hacking in LLM alignment. To build RMs with interpretable preferences, we propose a two-stage approach: i) train an Absolute-Rating Multi-Objective Reward Model (ArmoRM) with multi-dimensional absolute-rating data, each dimension corresponding to a human-interpretable objective (e.g., honesty, verbosity, safety); ii) employ a Mixture-of-Experts (MoE) strategy with a gating network that automatically selects the most suitable reward objectives based on the context. We efficiently trained an ArmoRM with Llama-3 8B and a gating network consisting of a shallow MLP on top of the ArmoRM. Our trained model, ArmoRM-Llama3-8B, obtains state-of-the-art performance on RewardBench, a benchmark evaluating RMs for language modeling. Notably, the performance of our model surpasses the LLM-as-a-judge method with GPT-4 judges by a margin, and approaches the performance of the much larger Nemotron-4 340B reward model.

Deep learning models are increasingly employed for perception, prediction, and control in complex systems. Embedding physical knowledge into these models is crucial for achieving realistic and consistent outputs, a challenge often addressed by physics-informed machine learning. However, integrating physical knowledge with representation learning becomes difficult when dealing with high-dimensional observation data, such as images, particularly under conditions of incomplete or imprecise state information. To address this, we propose Physically Interpretable World Models, a novel architecture that aligns learned latent representations with real-world physical quantities. Our method combines a variational autoencoder with a dynamical model that incorporates unknown system parameters, enabling the discovery of physically meaningful representations. By employing weak supervision with interval-based constraints, our approach eliminates the reliance on ground-truth physical annotations. Experimental results demonstrate that our method improves the quality of learned representations while achieving accurate predictions of future states, advancing the field of representation learning in dynamic systems.

The field of medical diagnosis has undergone a significant transformation with the advent of large language models (LLMs), yet the challenges of interpretability within these models remain largely unaddressed. This study introduces Chain-of-Diagnosis (CoD) to enhance the interpretability of LLM-based medical diagnostics. CoD transforms the diagnostic process into a diagnostic chain that mirrors a physician's thought process, providing a transparent reasoning pathway. Additionally, CoD outputs the disease confidence distribution to ensure transparency in decision-making. This interpretability makes model diagnostics controllable and aids in identifying critical symptoms for inquiry through the entropy reduction of confidences. With CoD, we developed DiagnosisGPT, capable of diagnosing 9604 diseases. Experimental results demonstrate that DiagnosisGPT outperforms other LLMs on diagnostic benchmarks. Moreover, DiagnosisGPT provides interpretability while ensuring controllability in diagnostic rigor.

Large Language Models(LLMs) have demonstrated remarkable performance across various domains, yet their capabilities in molecular reasoning remain insufficiently explored. Current approaches tend to rely heavily on general-purpose prompting, which lacks domain-specific molecular semantics, while those that use fine-tuning strategies often face challenges with interpretability and reasoning depth. To address these issues, we introduce MolReasoner, a two-stage framework designed to transition LLMs from memorization towards chemical reasoning. First, we propose Mol-SFT, which initializes the model's reasoning abilities via synthetic Chain-of-Thought(CoT) samples generated by GPT-4o and verified for chemical accuracy. Subsequently, Mol-RL applies reinforcement learning with specialized reward functions designed explicitly to align chemical structures with linguistic descriptions, thereby enhancing molecular reasoning capabilities. Our approach notably enhances interpretability, improving the model 's molecular understanding and enabling better generalization. Extensive experiments demonstrate that MolReasoner outperforms existing methods, and marking a significant shift from memorization-based outputs to robust chemical reasoning.

Recent studies have shown that Large Language Models (LLMs) augmented with chain-of-thought (CoT) reasoning demonstrate impressive problem-solving abilities. However, in this work, we identify a recurring issue where these models occasionally generate overly short reasoning, leading to degraded performance on even simple mathematical problems. Specifically, we investigate how reasoning length is embedded in the hidden representations of reasoning models and its impact on accuracy. Our analysis reveals that reasoning length is governed by a linear direction in the representation space, allowing us to induce overly short reasoning by steering the model along this direction. Building on this insight, we introduce ThinkEdit, a simple yet effective weight-editing approach to mitigate the issue of overly short reasoning. We first identify a small subset of attention heads (approximately 2%) that predominantly drive short reasoning behavior. We then edit the output projection weights of these heads to suppress the short reasoning direction. With changes to only 0.1% of the model's parameters, ThinkEdit effectively reduces overly short reasoning and yields notable accuracy gains for short reasoning outputs (+5.44%), along with an overall improvement across multiple math benchmarks (+2.43%). Our findings provide new mechanistic insights into how reasoning length is controlled within LLMs and highlight the potential of fine-grained model interventions to improve reasoning quality. Our code is available at https://github.com/Trustworthy-ML-Lab/ThinkEdit

We present a simple approach to make pre-trained Vision Transformers (ViTs) interpretable for fine-grained analysis, aiming to identify and localize the traits that distinguish visually similar categories, such as bird species. Pre-trained ViTs, such as DINO, have demonstrated remarkable capabilities in extracting localized, discriminative features. However, saliency maps like Grad-CAM often fail to identify these traits, producing blurred, coarse heatmaps that highlight entire objects instead. We propose a novel approach, Prompt Class Attention Map (Prompt-CAM), to address this limitation. Prompt-CAM learns class-specific prompts for a pre-trained ViT and uses the corresponding outputs for classification. To correctly classify an image, the true-class prompt must attend to unique image patches not present in other classes' images (i.e., traits). As a result, the true class's multi-head attention maps reveal traits and their locations. Implementation-wise, Prompt-CAM is almost a ``free lunch,'' requiring only a modification to the prediction head of Visual Prompt Tuning (VPT). This makes Prompt-CAM easy to train and apply, in stark contrast to other interpretable methods that require designing specific models and training processes. Extensive empirical studies on a dozen datasets from various domains (e.g., birds, fishes, insects, fungi, flowers, food, and cars) validate the superior interpretation capability of Prompt-CAM. The source code and demo are available at https://github.com/Imageomics/Prompt_CAM.

Large Language Models (LLMs) are playing an expanding role in physics research by enhancing reasoning, symbolic manipulation, and numerical computation. However, ensuring the reliability and interpretability of their outputs remains a significant challenge. In our framework, we conceptualize the collaboration between AI and human scientists as a dynamic interplay among three modules: the reasoning module, the interpretation module, and the AI-scientist interaction module. Recognizing that effective physics reasoning demands rigorous logical consistency, quantitative precision, and deep integration with established theoretical models, we introduce the interpretation module to improve the understanding of AI-generated outputs, which is not previously explored in the literature. This module comprises multiple specialized agents, including summarizers, model builders, UI builders, and testers, which collaboratively structure LLM outputs within a physically grounded framework, by constructing a more interpretable science model. A case study demonstrates that our approach enhances transparency, facilitates validation, and strengthens AI-augmented reasoning in scientific discovery.

We focus on solving the univariate times series point forecasting problem using deep learning. We propose a deep neural architecture based on backward and forward residual links and a very deep stack of fully-connected layers. The architecture has a number of desirable properties, being interpretable, applicable without modification to a wide array of target domains, and fast to train. We test the proposed architecture on several well-known datasets, including M3, M4 and TOURISM competition datasets containing time series from diverse domains. We demonstrate state-of-the-art performance for two configurations of N-BEATS for all the datasets, improving forecast accuracy by 11% over a statistical benchmark and by 3% over last year's winner of the M4 competition, a domain-adjusted hand-crafted hybrid between neural network and statistical time series models. The first configuration of our model does not employ any time-series-specific components and its performance on heterogeneous datasets strongly suggests that, contrarily to received wisdom, deep learning primitives such as residual blocks are by themselves sufficient to solve a wide range of forecasting problems. Finally, we demonstrate how the proposed architecture can be augmented to provide outputs that are interpretable without considerable loss in accuracy.

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

As machine learning systems become ubiquitous, there has been a surge of interest in interpretable machine learning: systems that provide explanation for their outputs. These explanations are often used to qualitatively assess other criteria such as safety or non-discrimination. However, despite the interest in interpretability, there is very little consensus on what interpretable machine learning is and how it should be measured. In this position paper, we first define interpretability and describe when interpretability is needed (and when it is not). Next, we suggest a taxonomy for rigorous evaluation and expose open questions towards a more rigorous science of interpretable machine learning.

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.

Supervised machine learning models boast remarkable predictive capabilities. But can you trust your model? Will it work in deployment? What else can it tell you about the world? We want models to be not only good, but interpretable. And yet the task of interpretation appears underspecified. Papers provide diverse and sometimes non-overlapping motivations for interpretability, and offer myriad notions of what attributes render models interpretable. Despite this ambiguity, many papers proclaim interpretability axiomatically, absent further explanation. In this paper, we seek to refine the discourse on interpretability. First, we examine the motivations underlying interest in interpretability, finding them to be diverse and occasionally discordant. Then, we address model properties and techniques thought to confer interpretability, identifying transparency to humans and post-hoc explanations as competing notions. Throughout, we discuss the feasibility and desirability of different notions, and question the oft-made assertions that linear models are interpretable and that deep neural networks are not.

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

We investigate fine-tuning Vision-Language Models (VLMs) for multi-task medical image understanding, focusing on detection, localization, and counting of findings in medical images. Our objective is to evaluate whether instruction-tuned VLMs can simultaneously improve these tasks, with the goal of enhancing diagnostic accuracy and efficiency. Using MedMultiPoints, a multimodal dataset with annotations from endoscopy (polyps and instruments) and microscopy (sperm cells), we reformulate each task into instruction-based prompts suitable for vision-language reasoning. We fine-tune Qwen2.5-VL-7B-Instruct using Low-Rank Adaptation (LoRA) across multiple task combinations. Results show that multi-task training improves robustness and accuracy. For example, it reduces the Count Mean Absolute Error (MAE) and increases Matching Accuracy in the Counting + Pointing task. However, trade-offs emerge, such as more zero-case point predictions, indicating reduced reliability in edge cases despite overall performance gains. Our study highlights the potential of adapting general-purpose VLMs to specialized medical tasks via prompt-driven fine-tuning. This approach mirrors clinical workflows, where radiologists simultaneously localize, count, and describe findings - demonstrating how VLMs can learn composite diagnostic reasoning patterns. The model produces interpretable, structured outputs, offering a promising step toward explainable and versatile medical AI. Code, model weights, and scripts will be released for reproducibility at https://github.com/simula/PointDetectCount.

Human cognition typically involves thinking through abstract, fluid concepts rather than strictly using discrete linguistic tokens. Current reasoning models, however, are constrained to reasoning within the boundaries of human language, processing discrete token embeddings that represent fixed points in the semantic space. This discrete constraint restricts the expressive power and upper potential of such reasoning models, often causing incomplete exploration of reasoning paths, as standard Chain-of-Thought (CoT) methods rely on sampling one token per step. In this work, we introduce Soft Thinking, a training-free method that emulates human-like "soft" reasoning by generating soft, abstract concept tokens in a continuous concept space. These concept tokens are created by the probability-weighted mixture of token embeddings, which form the continuous concept space, enabling smooth transitions and richer representations that transcend traditional discrete boundaries. In essence, each generated concept token encapsulates multiple meanings from related discrete tokens, implicitly exploring various reasoning paths to converge effectively toward the correct answer. Empirical evaluations on diverse mathematical and coding benchmarks consistently demonstrate the effectiveness and efficiency of Soft Thinking, improving pass@1 accuracy by up to 2.48 points while simultaneously reducing token usage by up to 22.4% compared to standard CoT. Qualitative analysis further reveals that Soft Thinking outputs remain highly interpretable and readable, highlighting the potential of Soft Thinking to break the inherent bottleneck of discrete language-based reasoning. Code is available at https://github.com/eric-ai-lab/Soft-Thinking.

State-of-the-art models in NLP are now predominantly based on deep neural networks that are opaque in terms of how they come to make predictions. This limitation has increased interest in designing more interpretable deep models for NLP that reveal the `reasoning' behind model outputs. But work in this direction has been conducted on different datasets and tasks with correspondingly unique aims and metrics; this makes it difficult to track progress. We propose the Evaluating Rationales And Simple English Reasoning (ERASER) benchmark to advance research on interpretable models in NLP. This benchmark comprises multiple datasets and tasks for which human annotations of "rationales" (supporting evidence) have been collected. We propose several metrics that aim to capture how well the rationales provided by models align with human rationales, and also how faithful these rationales are (i.e., the degree to which provided rationales influenced the corresponding predictions). Our hope is that releasing this benchmark facilitates progress on designing more interpretable NLP systems. The benchmark, code, and documentation are available at https://www.eraserbenchmark.com/

We introduce WildBench, an automated evaluation framework designed to benchmark large language models (LLMs) using challenging, real-world user queries. WildBench consists of 1,024 tasks carefully selected from over one million human-chatbot conversation logs. For automated evaluation with WildBench, we have developed two metrics, WB-Reward and WB-Score, which are computable using advanced LLMs such as GPT-4-turbo. WildBench evaluation uses task-specific checklists to evaluate model outputs systematically and provides structured explanations that justify the scores and comparisons, resulting in more reliable and interpretable automatic judgments. WB-Reward employs fine-grained pairwise comparisons between model responses, generating five potential outcomes: much better, slightly better, slightly worse, much worse, or a tie. Unlike previous evaluations that employed a single baseline model, we selected three baseline models at varying performance levels to ensure a comprehensive pairwise evaluation. Additionally, we propose a simple method to mitigate length bias, by converting outcomes of ``slightly better/worse'' to ``tie'' if the winner response exceeds the loser one by more than K characters. WB-Score evaluates the quality of model outputs individually, making it a fast and cost-efficient evaluation metric. WildBench results demonstrate a strong correlation with the human-voted Elo ratings from Chatbot Arena on hard tasks. Specifically, WB-Reward achieves a Pearson correlation of 0.98 with top-ranking models. Additionally, WB-Score reaches 0.95, surpassing both ArenaHard's 0.91 and AlpacaEval2.0's 0.89 for length-controlled win rates, as well as the 0.87 for regular win rates.

Radiology reports convey detailed clinical observations and capture diagnostic reasoning that evolves over time. However, existing evaluation methods are limited to single-report settings and rely on coarse metrics that fail to capture fine-grained clinical semantics and temporal dependencies. We introduce LUNGUAGE,a benchmark dataset for structured radiology report generation that supports both single-report evaluation and longitudinal patient-level assessment across multiple studies. It contains 1,473 annotated chest X-ray reports, each reviewed by experts, and 80 of them contain longitudinal annotations to capture disease progression and inter-study intervals, also reviewed by experts. Using this benchmark, we develop a two-stage framework that transforms generated reports into fine-grained, schema-aligned structured representations, enabling longitudinal interpretation. We also propose LUNGUAGESCORE, an interpretable metric that compares structured outputs at the entity, relation, and attribute level while modeling temporal consistency across patient timelines. These contributions establish the first benchmark dataset, structuring framework, and evaluation metric for sequential radiology reporting, with empirical results demonstrating that LUNGUAGESCORE effectively supports structured report evaluation. The code is available at: https://github.com/SuperSupermoon/Lunguage

We introduce Concept Bottleneck Large Language Models (CB-LLMs), a novel framework for building inherently interpretable Large Language Models (LLMs). In contrast to traditional black-box LLMs that rely on limited post-hoc interpretations, CB-LLMs integrate intrinsic interpretability directly into the LLMs -- allowing accurate explanations with scalability and transparency. We build CB-LLMs for two essential NLP tasks: text classification and text generation. In text classification, CB-LLMs is competitive with, and at times outperforms, traditional black-box models while providing explicit and interpretable reasoning. For the more challenging task of text generation, interpretable neurons in CB-LLMs enable precise concept detection, controlled generation, and safer outputs. The embedded interpretability empowers users to transparently identify harmful content, steer model behavior, and unlearn undesired concepts -- significantly enhancing the safety, reliability, and trustworthiness of LLMs, which are critical capabilities notably absent in existing models. Our code is available at https://github.com/Trustworthy-ML-Lab/CB-LLMs.

Hallucination is a big shadow hanging over the rapidly evolving Multimodal Large Language Models (MLLMs), referring to the phenomenon that the generated text is inconsistent with the image content. In order to mitigate hallucinations, existing studies mainly resort to an instruction-tuning manner that requires retraining the models with specific data. In this paper, we pave a different way, introducing a training-free method named Woodpecker. Like a woodpecker heals trees, it picks out and corrects hallucinations from the generated text. Concretely, Woodpecker consists of five stages: key concept extraction, question formulation, visual knowledge validation, visual claim generation, and hallucination correction. Implemented in a post-remedy manner, Woodpecker can easily serve different MLLMs, while being interpretable by accessing intermediate outputs of the five stages. We evaluate Woodpecker both quantitatively and qualitatively and show the huge potential of this new paradigm. On the POPE benchmark, our method obtains a 30.66%/24.33% improvement in accuracy over the baseline MiniGPT-4/mPLUG-Owl. The source code is released at https://github.com/BradyFU/Woodpecker.

Training Transformers on algorithmic tasks frequently demonstrates an intriguing abrupt learning phenomenon: an extended performance plateau followed by a sudden, sharp improvement. This work investigates the underlying mechanisms for such dynamics, primarily in shallow Transformers. We reveal that during the plateau, the model often develops an interpretable partial solution while simultaneously exhibiting a strong repetition bias in their outputs. This output degeneracy is accompanied by internal representation collapse, where hidden states across different tokens become nearly parallel. We further identify the slow learning of optimal attention maps as a key bottleneck. Hidden progress in attention configuration during the plateau precedes the eventual rapid convergence, and directly intervening on attention significantly alters plateau duration and the severity of repetition bias and representational collapse. We validate that these identified phenomena-repetition bias and representation collapse-are not artifacts of toy setups but also manifest in the early pre-training stage of large language models like Pythia and OLMo.

Agentic systems offer a potential path to solve complex clinical tasks through collaboration among specialized agents, augmented by tool use and external knowledge bases. Nevertheless, for chest X-ray (CXR) interpretation, prevailing methods remain limited: (i) reasoning is frequently neither clinically interpretable nor aligned with guidelines, reflecting mere aggregation of tool outputs; (ii) multimodal evidence is insufficiently fused, yielding text-only rationales that are not visually grounded; and (iii) systems rarely detect or resolve cross-tool inconsistencies and provide no principled verification mechanisms. To bridge the above gaps, we present RadAgents, a multi-agent framework for CXR interpretation that couples clinical priors with task-aware multimodal reasoning. In addition, we integrate grounding and multimodal retrieval-augmentation to verify and resolve context conflicts, resulting in outputs that are more reliable, transparent, and consistent with clinical practice.

Reinforcement Learning from Verifiable Rewards (RLVR) has emerged as a powerful paradigm for enhancing Large Language Models (LLMs), exemplified by the success of OpenAI's o-series. In RLVR, rewards are derived from verifiable signals-such as passing unit tests in code generation or matching correct answers in mathematical reasoning. While effective, this requirement largely confines RLVR to domains with automatically checkable outcomes. To overcome this, we extend the RLVR paradigm to open-ended tasks by integrating rubric-based rewards, where carefully designed rubrics serve as structured, model-interpretable criteria for automatic scoring of subjective outputs. We construct, to our knowledge, the largest rubric reward system to date, with over 10,000 rubrics from humans, LLMs, or a hybrid human-LLM collaboration. Implementing rubric-based RL is challenging; we tackle these issues with a clear framework and present an open-sourced Qwen-30B-A3B model with notable gains: 1) With only 5K+ samples, our system improves by +5.2% on open-ended benchmarks (especially humanities), outperforming a 671B DeepSeek-V3 model by +2.4%, while preserving general and reasoning abilities. 2) Our method provides fine-grained stylistic control, using rubrics as anchors to mitigate the "AI-like" tone and produce more human-like, expressive responses. We share key lessons in rubric construction, data selection, and training, and discuss limitations and future releases.

Automated interpretability pipelines generate natural language descriptions for the concepts represented by features in large language models (LLMs), such as plants or the first word in a sentence. These descriptions are derived using inputs that activate the feature, which may be a dimension or a direction in the model's representation space. However, identifying activating inputs is costly, and the mechanistic role of a feature in model behavior is determined both by how inputs cause a feature to activate and by how feature activation affects outputs. Using steering evaluations, we reveal that current pipelines provide descriptions that fail to capture the causal effect of the feature on outputs. To fix this, we propose efficient, output-centric methods for automatically generating feature descriptions. These methods use the tokens weighted higher after feature stimulation or the highest weight tokens after applying the vocabulary "unembedding" head directly to the feature. Our output-centric descriptions better capture the causal effect of a feature on model outputs than input-centric descriptions, but combining the two leads to the best performance on both input and output evaluations. Lastly, we show that output-centric descriptions can be used to find inputs that activate features previously thought to be "dead".

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

Artificial Text Detection (ATD) is becoming increasingly important with the rise of advanced Large Language Models (LLMs). Despite numerous efforts, no single algorithm performs consistently well across different types of unseen text or guarantees effective generalization to new LLMs. Interpretability plays a crucial role in achieving this goal. In this study, we enhance ATD interpretability by using Sparse Autoencoders (SAE) to extract features from Gemma-2-2b residual stream. We identify both interpretable and efficient features, analyzing their semantics and relevance through domain- and model-specific statistics, a steering approach, and manual or LLM-based interpretation. Our methods offer valuable insights into how texts from various models differ from human-written content. We show that modern LLMs have a distinct writing style, especially in information-dense domains, even though they can produce human-like outputs with personalized prompts.

Large language models (LLMs) have displayed an impressive ability to harness natural language to perform complex tasks. In this work, we explore whether we can leverage this learned ability to find and explain patterns in data. Specifically, given a pre-trained LLM and data examples, we introduce interpretable autoprompting (iPrompt), an algorithm that generates a natural-language string explaining the data. iPrompt iteratively alternates between generating explanations with an LLM and reranking them based on their performance when used as a prompt. Experiments on a wide range of datasets, from synthetic mathematics to natural-language understanding, show that iPrompt can yield meaningful insights by accurately finding groundtruth dataset descriptions. Moreover, the prompts produced by iPrompt are simultaneously human-interpretable and highly effective for generalization: on real-world sentiment classification datasets, iPrompt produces prompts that match or even improve upon human-written prompts for GPT-3. Finally, experiments with an fMRI dataset show the potential for iPrompt to aid in scientific discovery. All code for using the methods and data here is made available on Github.

Interpretability and explainability have gained more and more attention in the field of machine learning as they are crucial when it comes to high-stakes decisions and troubleshooting. Since both provide information about predictors and their decision process, they are often seen as two independent means for one single end. This view has led to a dichotomous literature: explainability techniques designed for complex black-box models, or interpretable approaches ignoring the many explainability tools. In this position paper, we challenge the common idea that interpretability and explainability are substitutes for one another by listing their principal shortcomings and discussing how both of them mitigate the drawbacks of the other. In doing so, we call for a new perspective on interpretability and explainability, and works targeting both topics simultaneously, leveraging each of their respective assets.

Interpretability methods seek to understand language model representations, yet the outputs of most such methods -- circuits, vectors, scalars -- are not immediately human-interpretable. In response, we introduce LatentQA, the task of answering open-ended questions about model activations in natural language. Towards solving LatentQA, we propose Latent Interpretation Tuning (LIT), which finetunes a decoder LLM on a dataset of activations and associated question-answer pairs, similar to how visual instruction tuning trains on question-answer pairs associated with images. We use the decoder for diverse reading applications, such as extracting relational knowledge from representations or uncovering system prompts governing model behavior. Our decoder also specifies a differentiable loss that we use to control models, such as debiasing models on stereotyped sentences and controlling the sentiment of generations. Finally, we extend LatentQA to reveal harmful model capabilities, such as generating recipes for bioweapons and code for hacking.

Contemporary predictive models are hard to interpret as their deep nets exploit numerous complex relations between input elements. This work suggests a theoretical framework for model interpretability by measuring the contribution of relevant features to the functional entropy of the network with respect to the input. We rely on the log-Sobolev inequality that bounds the functional entropy by the functional Fisher information with respect to the covariance of the data. This provides a principled way to measure the amount of information contribution of a subset of features to the decision function. Through extensive experiments, we show that our method surpasses existing interpretability sampling-based methods on various data signals such as image, text, and audio.

Neural networks have achieved remarkable success across various fields. However, the lack of interpretability limits their practical use, particularly in critical decision-making scenarios. Post-hoc interpretability, which provides explanations for pre-trained models, is often at risk of robustness and fidelity. This has inspired a rising interest in self-interpretable neural networks, which inherently reveal the prediction rationale through the model structures. Although there exist surveys on post-hoc interpretability, a comprehensive and systematic survey of self-interpretable neural networks is still missing. To address this gap, we first collect and review existing works on self-interpretable neural networks and provide a structured summary of their methodologies from five key perspectives: attribution-based, function-based, concept-based, prototype-based, and rule-based self-interpretation. We also present concrete, visualized examples of model explanations and discuss their applicability across diverse scenarios, including image, text, graph data, and deep reinforcement learning. Additionally, we summarize existing evaluation metrics for self-interpretability and identify open challenges in this field, offering insights for future research. To support ongoing developments, we present a publicly accessible resource to track advancements in this domain: https://github.com/yangji721/Awesome-Self-Interpretable-Neural-Network.

Interpretability has become an important topic of research as more machine learning (ML) models are deployed and widely used to make important decisions. Most of the current explanation methods provide explanations through feature importance scores, which identify features that are important for each individual input. However, how to systematically summarize and interpret such per sample feature importance scores itself is challenging. In this work, we propose principles and desiderata for concept based explanation, which goes beyond per-sample features to identify higher-level human-understandable concepts that apply across the entire dataset. We develop a new algorithm, ACE, to automatically extract visual concepts. Our systematic experiments demonstrate that \alg discovers concepts that are human-meaningful, coherent and important for the neural network's predictions.

Despite the frequent challenges posed by ambiguity when representing meaning via natural language, it is often ignored or deliberately removed in tasks mapping language to formally-designed representations, which generally assume a one-to-one mapping between linguistic and formal representations. We attempt to address this shortcoming by introducing AmP, a framework, dataset, and challenge for translating ambiguous natural language to formal representations like logic and code. We define templates and generate data for five well-documented linguistic ambiguities. Using AmP, we investigate how several few-shot text-to-code systems handle ambiguity, introducing three new metrics. We find that large pre-trained models perform poorly at capturing the distribution of possible meanings without deliberate instruction. However, models are able to capture the distribution well when ambiguity is attested in their inputs. These results motivate a call for including ambiguity explicitly in datasets and promote considering the distribution of possible outputs when evaluating systems. Data and code: https://github.com/esteng/ambiguous_parsing

Along with the great success of deep neural networks, there is also growing concern about their black-box nature. The interpretability issue affects people's trust on deep learning systems. It is also related to many ethical problems, e.g., algorithmic discrimination. Moreover, interpretability is a desired property for deep networks to become powerful tools in other research fields, e.g., drug discovery and genomics. In this survey, we conduct a comprehensive review of the neural network interpretability research. We first clarify the definition of interpretability as it has been used in many different contexts. Then we elaborate on the importance of interpretability and propose a novel taxonomy organized along three dimensions: type of engagement (passive vs. active interpretation approaches), the type of explanation, and the focus (from local to global interpretability). This taxonomy provides a meaningful 3D view of distribution of papers from the relevant literature as two of the dimensions are not simply categorical but allow ordinal subcategories. Finally, we summarize the existing interpretability evaluation methods and suggest possible research directions inspired by our new taxonomy.

This thesis provides methods and analysis of models which make progress on this goal. The techniques outlined are task agnostic, and should provide benefit when used with nearly any transformer LM. We introduce two new finetuning methods which add new capabilities to the models they are used on. The first adds a recurrence mechanism, which removes the fixed-window sized constraint and improves the efficiency of a transformer decoder. The second allows masked language models (MLMs) to be used for initialization of both the encoder and decoder of a non-autoregressive sequence-to-sequence transformer, opening up generative applications of models which were previously only used for natural language understanding tasks. We also introduce two new techniques for improving the quality of predictions of any transformer decoder without additional finetuning. One, hidden state optimization, can be applied to any transformer decoder to improve the quality of predictions at inference time, especially for few-shot classification. The other, conditional beam search, allows practitioners to search for natural language generation (NLG) model outputs with high likelihood while conditioning on the event that the output is not degenerate (e.g. empty, repetitive, etc.). Finally, we provide theoretical and empirical insights on the divergence of model-likelihood and output quality which has widely been observed in prior work. These insights apply to any model which represents a distribution over text, and apply to language models which are not transformers or even autoregressive. We argue that the NLP community has, to some extent, misunderstood the implications of these findings, and encourage a point of view which has more nuance.

Mechanistic interpretability research faces a gap between analyzing simple circuits in toy tasks and discovering features in large models. To bridge this gap, we propose text-to-SQL generation as an ideal task to study, as it combines the formal structure of toy tasks with real-world complexity. We introduce TinySQL, a synthetic dataset, progressing from basic to advanced SQL operations, and train models ranging from 33M to 1B parameters to establish a comprehensive testbed for interpretability. We apply multiple complementary interpretability techniques, including Edge Attribution Patching and Sparse Autoencoders, to identify minimal circuits and components supporting SQL generation. We compare circuits for different SQL subskills, evaluating their minimality, reliability, and identifiability. Finally, we conduct a layerwise logit lens analysis to reveal how models compose SQL queries across layers: from intent recognition to schema resolution to structured generation. Our work provides a robust framework for probing and comparing interpretability methods in a structured, progressively complex setting.

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.

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

Recurrent Neural Networks (RNNs), and specifically a variant with Long Short-Term Memory (LSTM), are enjoying renewed interest as a result of successful applications in a wide range of machine learning problems that involve sequential data. However, while LSTMs provide exceptional results in practice, the source of their performance and their limitations remain rather poorly understood. Using character-level language models as an interpretable testbed, we aim to bridge this gap by providing an analysis of their representations, predictions and error types. In particular, our experiments reveal the existence of interpretable cells that keep track of long-range dependencies such as line lengths, quotes and brackets. Moreover, our comparative analysis with finite horizon n-gram models traces the source of the LSTM improvements to long-range structural dependencies. Finally, we provide analysis of the remaining errors and suggests areas for further study.

Ever since neural models were adopted in data-to-text language generation, they have invariably been reliant on extrinsic components to improve their semantic accuracy, because the models normally do not exhibit the ability to generate text that reliably mentions all of the information provided in the input. In this paper, we propose a novel decoding method that extracts interpretable information from encoder-decoder models' cross-attention, and uses it to infer which attributes are mentioned in the generated text, which is subsequently used to rescore beam hypotheses. Using this decoding method with T5 and BART, we show on three datasets its ability to dramatically reduce semantic errors in the generated outputs, while maintaining their state-of-the-art quality.

Decompilers are important tools for reverse engineers that help them analyze software at a higher level of abstraction than assembly. Unfortunately, because compilation is lossy, deterministic decompilers produce code that is missing many of the details that make source code readable in the first place, like variable names and types. Neural decompilers, on the other hand, offer the ability to statistically fill in these details. Existing work in neural decompilation, however, suffers from substantial drawbacks that limits its ability to handle real code: it is unable to handle user-defined composite types, which are essential to fully specifying many functions' semantics, or require test cases. In this work, we introduce a new training process to finetune any LLM into a neural decompiler capable of generating the appropriate user-defined types alongside the decompilation. We introduce a new dataset, Realtype, that includes substantially more complicated and realistic types than existing neural decompilation benchmarks. Motivated by the intuition that different parts of data structures can be operated upon by different parts of the program, we show that interprocedural context can help improve neural decompilers' ability to handle user-defined types. We show that our training process yields state-of-the-art results in neural decompilation. We also publicly release the Idioms series of finetuned neural decompilation models in support of open science. In summary, we identify the need for joint code and type prediction, show that it is a hard problem, and take the first steps towards solving it.

With the advent of larger and more complex deep learning models, such as in Natural Language Processing (NLP), model qualities like explainability and interpretability, albeit highly desirable, are becoming harder challenges to tackle and solve. For example, state-of-the-art models in text classification are black-box by design. Although standard explanation methods provide some degree of explainability, these are mostly correlation-based methods and do not provide much insight into the model. The alternative of causal explainability is more desirable to achieve but extremely challenging in NLP due to a variety of reasons. Inspired by recent endeavors to utilize Large Language Models (LLMs) as experts, in this work, we aim to leverage the instruction-following and textual understanding capabilities of recent state-of-the-art LLMs to facilitate causal explainability via counterfactual explanation generation for black-box text classifiers. To do this, we propose a three-step pipeline via which, we use an off-the-shelf LLM to: (1) identify the latent or unobserved features in the input text, (2) identify the input features associated with the latent features, and finally (3) use the identified input features to generate a counterfactual explanation. We experiment with our pipeline on multiple NLP text classification datasets, with several recent LLMs, and present interesting and promising findings.

Interpretability in machine learning (ML) is crucial for high stakes decisions and troubleshooting. In this work, we provide fundamental principles for interpretable ML, and dispel common misunderstandings that dilute the importance of this crucial topic. We also identify 10 technical challenge areas in interpretable machine learning and provide history and background on each problem. Some of these problems are classically important, and some are recent problems that have arisen in the last few years. These problems are: (1) Optimizing sparse logical models such as decision trees; (2) Optimization of scoring systems; (3) Placing constraints into generalized additive models to encourage sparsity and better interpretability; (4) Modern case-based reasoning, including neural networks and matching for causal inference; (5) Complete supervised disentanglement of neural networks; (6) Complete or even partial unsupervised disentanglement of neural networks; (7) Dimensionality reduction for data visualization; (8) Machine learning models that can incorporate physics and other generative or causal constraints; (9) Characterization of the "Rashomon set" of good models; and (10) Interpretable reinforcement learning. This survey is suitable as a starting point for statisticians and computer scientists interested in working in interpretable machine learning.

In recent years supervised representation learning has provided state of the art or close to the state of the art results in semantic analysis tasks including ranking and information retrieval. The core idea is to learn how to embed items into a latent space such that they optimize a supervised objective in that latent space. The dimensions of the latent space have no clear semantics, and this reduces the interpretability of the system. For example, in personalization models, it is hard to explain why a particular item is ranked high for a given user profile. We propose a novel model of representation learning called Supervised Explicit Semantic Analysis (SESA) that is trained in a supervised fashion to embed items to a set of dimensions with explicit semantics. The model learns to compare two objects by representing them in this explicit space, where each dimension corresponds to a concept from a knowledge base. This work extends Explicit Semantic Analysis (ESA) with a supervised model for ranking problems. We apply this model to the task of Job-Profile relevance in LinkedIn in which a set of skills defines our explicit dimensions of the space. Every profile and job are encoded to this set of skills their similarity is calculated in this space. We use RNNs to embed text input into this space. In addition to interpretability, our model makes use of the web-scale collaborative skills data that is provided by users for each LinkedIn profile. Our model provides state of the art result while it remains interpretable.

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.

Interpretability is essential for machine learning models to be trusted and deployed in critical domains. However, existing methods for interpreting text models are often complex, lack mathematical foundations, and their performance is not guaranteed. In this paper, we propose FRED (Faithful and Robust Explainer for textual Documents), a novel method for interpreting predictions over text. FRED offers three key insights to explain a model prediction: (1) it identifies the minimal set of words in a document whose removal has the strongest influence on the prediction, (2) it assigns an importance score to each token, reflecting its influence on the model's output, and (3) it provides counterfactual explanations by generating examples similar to the original document, but leading to a different prediction. We establish the reliability of FRED through formal definitions and theoretical analyses on interpretable classifiers. Additionally, our empirical evaluation against state-of-the-art methods demonstrates the effectiveness of FRED in providing insights into text models.

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.

Explainable Artificial Intelligence (XAI) addresses the growing need for transparency and interpretability in AI systems, enabling trust and accountability in decision-making processes. This book offers a comprehensive guide to XAI, bridging foundational concepts with advanced methodologies. It explores interpretability in traditional models such as Decision Trees, Linear Regression, and Support Vector Machines, alongside the challenges of explaining deep learning architectures like CNNs, RNNs, and Large Language Models (LLMs), including BERT, GPT, and T5. The book presents practical techniques such as SHAP, LIME, Grad-CAM, counterfactual explanations, and causal inference, supported by Python code examples for real-world applications. Case studies illustrate XAI's role in healthcare, finance, and policymaking, demonstrating its impact on fairness and decision support. The book also covers evaluation metrics for explanation quality, an overview of cutting-edge XAI tools and frameworks, and emerging research directions, such as interpretability in federated learning and ethical AI considerations. Designed for a broad audience, this resource equips readers with the theoretical insights and practical skills needed to master XAI. Hands-on examples and additional resources are available at the companion GitHub repository: https://github.com/Echoslayer/XAI_From_Classical_Models_to_LLMs.

Despite their capabilities, Large Language Models (LLMs) remain opaque with limited understanding of their internal representations. Current interpretability methods, such as direct logit attribution (DLA) and sparse autoencoders (SAEs), provide restricted insight due to limitations such as the model's output vocabulary or unclear feature names. This work introduces Hyperdimensional Probe, a novel paradigm for decoding information from the LLM vector space. It combines ideas from symbolic representations and neural probing to project the model's residual stream into interpretable concepts via Vector Symbolic Architectures (VSAs). This probe combines the strengths of SAEs and conventional probes while overcoming their key limitations. We validate our decoding paradigm with controlled input-completion tasks, probing the model's final state before next-token prediction on inputs spanning syntactic pattern recognition, key-value associations, and abstract inference. We further assess it in a question-answering setting, examining the state of the model both before and after text generation. Our experiments show that our probe reliably extracts meaningful concepts across varied LLMs, embedding sizes, and input domains, also helping identify LLM failures. Our work advances information decoding in LLM vector space, enabling extracting more informative, interpretable, and structured features from neural representations.

Recent advances in interpretability suggest we can project weights and hidden states of transformer-based language models (LMs) to their vocabulary, a transformation that makes them human interpretable and enables us to assign semantics to what was seen only as numerical vectors. In this paper, we interpret LM attention heads and memory values, the vectors the models dynamically create and recall while processing a given input. By analyzing the tokens they represent through this projection, we identify patterns in the information flow inside the attention mechanism. Based on these discoveries, we create a tool to visualize a forward pass of Generative Pre-trained Transformers (GPTs) as an interactive flow graph, with nodes representing neurons or hidden states and edges representing the interactions between them. Our visualization simplifies huge amounts of data into easy-to-read plots that reflect why models output their results. We demonstrate the utility of our modeling by identifying the effect LM components have on the intermediate processing in the model before outputting a prediction. For instance, we discover that layer norms are used as semantic filters and find neurons that act as regularization vectors.

Interpretable machine learning has exploded as an area of interest over the last decade, sparked by the rise of increasingly large datasets and deep neural networks. Simultaneously, large language models (LLMs) have demonstrated remarkable capabilities across a wide array of tasks, offering a chance to rethink opportunities in interpretable machine learning. Notably, the capability to explain in natural language allows LLMs to expand the scale and complexity of patterns that can be given to a human. However, these new capabilities raise new challenges, such as hallucinated explanations and immense computational costs. In this position paper, we start by reviewing existing methods to evaluate the emerging field of LLM interpretation (both interpreting LLMs and using LLMs for explanation). We contend that, despite their limitations, LLMs hold the opportunity to redefine interpretability with a more ambitious scope across many applications, including in auditing LLMs themselves. We highlight two emerging research priorities for LLM interpretation: using LLMs to directly analyze new datasets and to generate interactive explanations.

Many learning algorithms such as kernel machines, nearest neighbors, clustering, or anomaly detection, are based on the concept of 'distance' or 'similarity'. Before similarities are used for training an actual machine learning model, we would like to verify that they are bound to meaningful patterns in the data. In this paper, we propose to make similarities interpretable by augmenting them with an explanation in terms of input features. We develop BiLRP, a scalable and theoretically founded method to systematically decompose similarity scores on pairs of input features. Our method can be expressed as a composition of LRP explanations, which were shown in previous works to scale to highly nonlinear functions. Through an extensive set of experiments, we demonstrate that BiLRP robustly explains complex similarity models, e.g. built on VGG-16 deep neural network features. Additionally, we apply our method to an open problem in digital humanities: detailed assessment of similarity between historical documents such as astronomical tables. Here again, BiLRP provides insight and brings verifiability into a highly engineered and problem-specific similarity model.

Interpretability or explainability is an emerging research field in NLP. From a user-centric point of view, the goal is to build models that provide proper justification for their decisions, similar to those of humans, by requiring the models to satisfy additional constraints. To this end, we introduce a new application on legal text where, contrary to mainstream literature targeting word-level rationales, we conceive rationales as selected paragraphs in multi-paragraph structured court cases. We also release a new dataset comprising European Court of Human Rights cases, including annotations for paragraph-level rationales. We use this dataset to study the effect of already proposed rationale constraints, i.e., sparsity, continuity, and comprehensiveness, formulated as regularizers. Our findings indicate that some of these constraints are not beneficial in paragraph-level rationale extraction, while others need re-formulation to better handle the multi-label nature of the task we consider. We also introduce a new constraint, singularity, which further improves the quality of rationales, even compared with noisy rationale supervision. Experimental results indicate that the newly introduced task is very challenging and there is a large scope for further research.

Deep learning models have achieved remarkable success in different areas of machine learning over the past decade; however, the size and complexity of these models make them difficult to understand. In an effort to make them more interpretable, several recent works focus on explaining parts of a deep neural network through human-interpretable, semantic attributes. However, it may be impossible to completely explain complex models using only semantic attributes. In this work, we propose to augment these attributes with a small set of uninterpretable features. Specifically, we develop a novel explanation framework ELUDE (Explanation via Labelled and Unlabelled DEcomposition) that decomposes a model's prediction into two parts: one that is explainable through a linear combination of the semantic attributes, and another that is dependent on the set of uninterpretable features. By identifying the latter, we are able to analyze the "unexplained" portion of the model, obtaining insights into the information used by the model. We show that the set of unlabelled features can generalize to multiple models trained with the same feature space and compare our work to two popular attribute-oriented methods, Interpretable Basis Decomposition and Concept Bottleneck, and discuss the additional insights ELUDE provides.

The greatest ambition of mechanistic interpretability is to completely rewrite deep neural networks in a format that is more amenable to human understanding, while preserving their behavior and performance. In this paper, we attempt to partially rewrite a large language model using simple natural language explanations. We first approximate one of the feedforward networks in the LLM with a wider MLP with sparsely activating neurons - a transcoder - and use an automated interpretability pipeline to generate explanations for these neurons. We then replace the first layer of this sparse MLP with an LLM-based simulator, which predicts the activation of each neuron given its explanation and the surrounding context. Finally, we measure the degree to which these modifications distort the model's final output. With our pipeline, the model's increase in loss is statistically similar to entirely replacing the sparse MLP output with the zero vector. We employ the same protocol, this time using a sparse autoencoder, on the residual stream of the same layer and obtain similar results. These results suggest that more detailed explanations are needed to improve performance substantially above the zero ablation baseline.

Labeling neural network submodules with human-legible descriptions is useful for many downstream tasks: such descriptions can surface failures, guide interventions, and perhaps even explain important model behaviors. To date, most mechanistic descriptions of trained networks have involved small models, narrowly delimited phenomena, and large amounts of human labor. Labeling all human-interpretable sub-computations in models of increasing size and complexity will almost certainly require tools that can generate and validate descriptions automatically. Recently, techniques that use learned models in-the-loop for labeling have begun to gain traction, but methods for evaluating their efficacy are limited and ad-hoc. How should we validate and compare open-ended labeling tools? This paper introduces FIND (Function INterpretation and Description), a benchmark suite for evaluating the building blocks of automated interpretability methods. FIND contains functions that resemble components of trained neural networks, and accompanying descriptions of the kind we seek to generate. The functions are procedurally constructed across textual and numeric domains, and involve a range of real-world complexities, including noise, composition, approximation, and bias. We evaluate new and existing methods that use language models (LMs) to produce code-based and language descriptions of function behavior. We find that an off-the-shelf LM augmented with only black-box access to functions can sometimes infer their structure, acting as a scientist by forming hypotheses, proposing experiments, and updating descriptions in light of new data. However, LM-based descriptions tend to capture global function behavior and miss local corruptions. These results show that FIND will be useful for characterizing the performance of more sophisticated interpretability methods before they are applied to real-world models.

In recent years, many interpretability methods have been proposed to help interpret the internal states of Transformer-models, at different levels of precision and complexity. Here, to analyze encoder-decoder Transformers, we propose a simple, new method: DecoderLens. Inspired by the LogitLens (for decoder-only Transformers), this method involves allowing the decoder to cross-attend representations of intermediate encoder layers instead of using the final encoder output, as is normally done in encoder-decoder models. The method thus maps previously uninterpretable vector representations to human-interpretable sequences of words or symbols. We report results from the DecoderLens applied to models trained on question answering, logical reasoning, speech recognition and machine translation. The DecoderLens reveals several specific subtasks that are solved at low or intermediate layers, shedding new light on the information flow inside the encoder component of this important class of models.

Past work in natural language processing interpretability focused mainly on popular classification tasks while largely overlooking generation settings, partly due to a lack of dedicated tools. In this work, we introduce Inseq, a Python library to democratize access to interpretability analyses of sequence generation models. Inseq enables intuitive and optimized extraction of models' internal information and feature importance scores for popular decoder-only and encoder-decoder Transformers architectures. We showcase its potential by adopting it to highlight gender biases in machine translation models and locate factual knowledge inside GPT-2. Thanks to its extensible interface supporting cutting-edge techniques such as contrastive feature attribution, Inseq can drive future advances in explainable natural language generation, centralizing good practices and enabling fair and reproducible model evaluations.

We show how to "compile" human-readable programs into standard decoder-only transformer models. Our compiler, Tracr, generates models with known structure. This structure can be used to design experiments. For example, we use it to study "superposition" in transformers that execute multi-step algorithms. Additionally, the known structure of Tracr-compiled models can serve as ground-truth for evaluating interpretability methods. Commonly, because the "programs" learned by transformers are unknown it is unclear whether an interpretation succeeded. We demonstrate our approach by implementing and examining programs including computing token frequencies, sorting, and parenthesis checking. We provide an open-source implementation of Tracr at https://github.com/google-deepmind/tracr.

Interpretability researchers have attempted to understand MLP neurons of language models based on both the contexts in which they activate and their output weight vectors. They have paid little attention to a complementary aspect: the interactions between input and output. For example, when neurons detect a direction in the input, they might add much the same direction to the residual stream ("enrichment neurons") or reduce its presence ("depletion neurons"). We address this aspect by examining the cosine similarity between input and output weights of a neuron. We apply our method to 12 models and find that enrichment neurons dominate in early-middle layers whereas later layers tend more towards depletion. To explain this finding, we argue that enrichment neurons are largely responsible for enriching concept representations, one of the first steps of factual recall. Our input-output perspective is a complement to activation-dependent analyses and to approaches that treat input and output separately.

A mechanistic understanding of how MLPs do computation in deep neural networks remains elusive. Current interpretability work can extract features from hidden activations over an input dataset but generally cannot explain how MLP weights construct features. One challenge is that element-wise nonlinearities introduce higher-order interactions and make it difficult to trace computations through the MLP layer. In this paper, we analyze bilinear MLPs, a type of Gated Linear Unit (GLU) without any element-wise nonlinearity that nevertheless achieves competitive performance. Bilinear MLPs can be fully expressed in terms of linear operations using a third-order tensor, allowing flexible analysis of the weights. Analyzing the spectra of bilinear MLP weights using eigendecomposition reveals interpretable low-rank structure across toy tasks, image classification, and language modeling. We use this understanding to craft adversarial examples, uncover overfitting, and identify small language model circuits directly from the weights alone. Our results demonstrate that bilinear layers serve as an interpretable drop-in replacement for current activation functions and that weight-based interpretability is viable for understanding deep-learning models.

We present the LM Transparency Tool (LM-TT), an open-source interactive toolkit for analyzing the internal workings of Transformer-based language models. Differently from previously existing tools that focus on isolated parts of the decision-making process, our framework is designed to make the entire prediction process transparent, and allows tracing back model behavior from the top-layer representation to very fine-grained parts of the model. Specifically, it (1) shows the important part of the whole input-to-output information flow, (2) allows attributing any changes done by a model block to individual attention heads and feed-forward neurons, (3) allows interpreting the functions of those heads or neurons. A crucial part of this pipeline is showing the importance of specific model components at each step. As a result, we are able to look at the roles of model components only in cases where they are important for a prediction. Since knowing which components should be inspected is key for analyzing large models where the number of these components is extremely high, we believe our tool will greatly support the interpretability community both in research settings and in practical applications.

The field of explainable AI (XAI) has quickly become a thriving and prolific community. However, a silent, recurrent and acknowledged issue in this area is the lack of consensus regarding its terminology. In particular, each new contribution seems to rely on its own (and often intuitive) version of terms like "explanation" and "interpretation". Such disarray encumbers the consolidation of advances in the field towards the fulfillment of scientific and regulatory demands e.g., when comparing methods or establishing their compliance with respect to biases and fairness constraints. We propose a theoretical framework that not only provides concrete definitions for these terms, but it also outlines all steps necessary to produce explanations and interpretations. The framework also allows for existing contributions to be re-contextualized such that their scope can be measured, thus making them comparable to other methods. We show that this framework is compliant with desiderata on explanations, on interpretability and on evaluation metrics. We present a use-case showing how the framework can be used to compare LIME, SHAP and MDNet, establishing their advantages and shortcomings. Finally, we discuss relevant trends in XAI as well as recommendations for future work, all from the standpoint of our framework.

Automated insight generation is a common tactic for helping knowledge workers, such as data scientists, to quickly understand the potential value of new and unfamiliar data. Unfortunately, automated insights produced by large-language models can generate code that does not correctly correspond (or align) to the insight. In this paper, we leverage the semantic knowledge of large language models to generate targeted and insightful questions about data and the corresponding code to answer those questions. Then through an empirical study on data from Open-WikiTable, we show that embeddings can be effectively used for filtering out semantically unaligned pairs of question and code. Additionally, we found that generating questions and code together yields more diverse questions.

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.

We propose to extract meaning representations from autoregressive language models by considering the distribution of all possible trajectories extending an input text. This strategy is prompt-free, does not require fine-tuning, and is applicable to any pre-trained autoregressive model. Moreover, unlike vector-based representations, distribution-based representations can also model asymmetric relations (e.g., direction of logical entailment, hypernym/hyponym relations) by using algebraic operations between likelihood functions. These ideas are grounded in distributional perspectives on semantics and are connected to standard constructions in automata theory, but to our knowledge they have not been applied to modern language models. We empirically show that the representations obtained from large models align well with human annotations, outperform other zero-shot and prompt-free methods on semantic similarity tasks, and can be used to solve more complex entailment and containment tasks that standard embeddings cannot handle. Finally, we extend our method to represent data from different modalities (e.g., image and text) using multimodal autoregressive models. Our code is available at: https://github.com/tianyu139/meaning-as-trajectories

We present evidence that language models can learn meaning despite being trained only to perform next token prediction on text, specifically a corpus of programs. Each program is preceded by a specification in the form of (textual) input-output examples. Working with programs enables us to precisely define concepts relevant to meaning in language (e.g., correctness and semantics), making program synthesis well-suited as an intermediate testbed for characterizing the presence (or absence) of meaning in language models. We first train a Transformer model on the corpus of programs, then probe the trained model's hidden states as it completes a program given a specification. Despite providing no inductive bias toward learning the semantics of the language, we find that a linear probe is able to extract abstractions of both current and future program states from the model states. Moreover, there is a strong, statistically significant correlation between the accuracy of the probe and the model's ability to generate a program that implements the specification. To evaluate whether the semantics are represented in the model states rather than learned by the probe, we design a novel experimental procedure that intervenes on the semantics of the language while preserving the lexicon and syntax. We also demonstrate that the model learns to generate correct programs that are, on average, shorter than those in the training set, which is evidence that language model outputs may differ from the training distribution in semantically meaningful ways. In summary, this paper does not propose any new techniques for training language models, but develops an experimental framework for and provides insights into the acquisition and representation of (formal) meaning in language models.

Recent advancements in machine learning have spurred growing interests in automated interpreting quality assessment. Nevertheless, existing research suffers from insufficient examination of language use quality, unsatisfactory modeling effectiveness due to data scarcity and imbalance, and a lack of efforts to explain model predictions. To address these gaps, we propose a multi-dimensional modeling framework that integrates feature engineering, data augmentation, and explainable machine learning. This approach prioritizes explainability over ``black box'' predictions by utilizing only construct-relevant, transparent features and conducting Shapley Value (SHAP) analysis. Our results demonstrate strong predictive performance on a novel English-Chinese consecutive interpreting dataset, identifying BLEURT and CometKiwi scores to be the strongest predictive features for fidelity, pause-related features for fluency, and Chinese-specific phraseological diversity metrics for language use. Overall, by placing particular emphasis on explainability, we present a scalable, reliable, and transparent alternative to traditional human evaluation, facilitating the provision of detailed diagnostic feedback for learners and supporting self-regulated learning advantages not afforded by automated scores in isolation.

In this paper, we study two challenging problems in explainable AI (XAI) and data clustering. The first is how to directly design a neural network with inherent interpretability, rather than giving post-hoc explanations of a black-box model. The second is implementing discrete k-means with a differentiable neural network that embraces the advantages of parallel computing, online clustering, and clustering-favorable representation learning. To address these two challenges, we design a novel neural network, which is a differentiable reformulation of the vanilla k-means, called inTerpretable nEuraL cLustering (TELL). Our contributions are threefold. First, to the best of our knowledge, most existing XAI works focus on supervised learning paradigms. This work is one of the few XAI studies on unsupervised learning, in particular, data clustering. Second, TELL is an interpretable, or the so-called intrinsically explainable and transparent model. In contrast, most existing XAI studies resort to various means for understanding a black-box model with post-hoc explanations. Third, from the view of data clustering, TELL possesses many properties highly desired by k-means, including but not limited to online clustering, plug-and-play module, parallel computing, and provable convergence. Extensive experiments show that our method achieves superior performance comparing with 14 clustering approaches on three challenging data sets. The source code could be accessed at www.pengxi.me.

Many methods now exist for conditioning model outputs on task instructions, retrieved documents, and user-provided explanations and feedback. Rather than relying solely on examples of task inputs and outputs, these approaches use valuable additional data for improving model correctness and aligning learned models with human priors. Meanwhile, a growing body of evidence suggests that some language models can (1) store a large amount of knowledge in their parameters, and (2) perform inference over tasks in textual inputs at test time. These results raise the possibility that, for some tasks, humans cannot explain to a model any more about the task than it already knows or could infer on its own. In this paper, we study the circumstances under which explanations of individual data points can (or cannot) improve modeling performance. In order to carefully control important properties of the data and explanations, we introduce a synthetic dataset for experiments, and we also make use of three existing datasets with explanations: e-SNLI, TACRED, and SemEval. We first give a formal framework for the available modeling approaches, in which explanation data can be used as model inputs, as targets, or as a prior. After arguing that the most promising role for explanation data is as model inputs, we propose to use a retrieval-based method and show that it solves our synthetic task with accuracies upwards of 95%, while baselines without explanation data achieve below 65% accuracy. We then identify properties of datasets for which retrieval-based modeling fails. With the three existing datasets, we find no improvements from explanation retrieval. Drawing on findings from our synthetic task, we suggest that at least one of six preconditions for successful modeling fails to hold with these datasets. Our code is publicly available at https://github.com/peterbhase/ExplanationRoles

We present TIGERScore, a Trained metric that follows Instruction Guidance to perform Explainable, and Reference-free evaluation over a wide spectrum of text generation tasks. Different from other automatic evaluation methods that only provide arcane scores, TIGERScore is guided by the natural language instruction to provide error analysis to pinpoint the mistakes in the generated text. Our metric is based on LLaMA, trained on our meticulously curated instruction-tuning dataset MetricInstruct which covers 6 text generation tasks and 23 text generation datasets. The dataset consists of 48K quadruple in the form of (instruction, input, system output rightarrow error analysis). We collected the `system outputs' through diverse channels to cover different types of errors. To quantitatively assess our metric, we evaluate its correlation with human ratings on 5 held-in datasets, 2 held-out datasets and show that TIGERScore can achieve the highest overall Spearman's correlation with human ratings across these datasets and outperforms other metrics significantly. As a reference-free metric, its correlation can even surpass the best existing reference-based metrics. To further qualitatively assess the rationale generated by our metric, we conduct human evaluation on the generated explanations and found that the explanations are 70.8\% accurate. Through these experimental results, we believe TIGERScore demonstrates the possibility of building universal explainable metrics to evaluate any text generation task.

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.

As machine learning and algorithmic decision making systems are increasingly being leveraged in high-stakes human-in-the-loop settings, there is a pressing need to understand the rationale of their predictions. Researchers have responded to this need with explainable AI (XAI), but often proclaim interpretability axiomatically without evaluation. When these systems are evaluated, they are often tested through offline simulations with proxy metrics of interpretability (such as model complexity). We empirically evaluate the veracity of three common interpretability assumptions through a large scale human-subjects experiment with a simple "placebo explanation" control. We find that feature attribution explanations provide marginal utility in our task for a human decision maker and in certain cases result in worse decisions due to cognitive and contextual confounders. This result challenges the assumed universal benefit of applying these methods and we hope this work will underscore the importance of human evaluation in XAI research. Supplemental materials -- including anonymized data from the experiment, code to replicate the study, an interactive demo of the experiment, and the models used in the analysis -- can be found at: https://doi.pizza/challenging-xai.

Recent advancements in NLP systems, particularly with the introduction of LLMs, have led to widespread adoption of these systems by a broad spectrum of users across various domains, impacting decision-making, the job market, society, and scientific research. This surge in usage has led to an explosion in NLP model interpretability and analysis research, accompanied by numerous technical surveys. Yet, these surveys often overlook the needs and perspectives of explanation stakeholders. In this paper, we address three fundamental questions: Why do we need interpretability, what are we interpreting, and how? By exploring these questions, we examine existing interpretability paradigms, their properties, and their relevance to different stakeholders. We further explore the practical implications of these paradigms by analyzing trends from the past decade across multiple research fields. To this end, we retrieved thousands of papers and employed an LLM to characterize them. Our analysis reveals significant disparities between NLP developers and non-developer users, as well as between research fields, underscoring the diverse needs of stakeholders. For example, explanations of internal model components are rarely used outside the NLP field. We hope this paper informs the future design, development, and application of methods that align with the objectives and requirements of various stakeholders.

What latent features are encoded in language model (LM) representations? Recent work on training sparse autoencoders (SAEs) to disentangle interpretable features in LM representations has shown significant promise. However, evaluating the quality of these SAEs is difficult because we lack a ground-truth collection of interpretable features that we expect good SAEs to recover. We thus propose to measure progress in interpretable dictionary learning by working in the setting of LMs trained on chess and Othello transcripts. These settings carry natural collections of interpretable features -- for example, "there is a knight on F3" -- which we leverage into supervised metrics for SAE quality. To guide progress in interpretable dictionary learning, we introduce a new SAE training technique, p-annealing, which improves performance on prior unsupervised metrics as well as our new metrics.

Neural networks have recently achieved human-level performance on various challenging natural language processing (NLP) tasks, but it is notoriously difficult to understand why a neural network produced a particular prediction. In this paper, we leverage the text-to-text framework proposed by Raffel et al.(2019) to train language models to output a natural text explanation alongside their prediction. Crucially, this requires no modifications to the loss function or training and decoding procedures -- we simply train the model to output the explanation after generating the (natural text) prediction. We show that this approach not only obtains state-of-the-art results on explainability benchmarks, but also permits learning from a limited set of labeled explanations and transferring rationalization abilities across datasets. To facilitate reproducibility and future work, we release our code use to train the models.

We introduce a large-scale dataset of math word problems and an interpretable neural math problem solver that learns to map problems to operation programs. Due to annotation challenges, current datasets in this domain have been either relatively small in scale or did not offer precise operational annotations over diverse problem types. We introduce a new representation language to model precise operation programs corresponding to each math problem that aim to improve both the performance and the interpretability of the learned models. Using this representation language, our new dataset, MathQA, significantly enhances the AQuA dataset with fully-specified operational programs. We additionally introduce a neural sequence-to-program model enhanced with automatic problem categorization. Our experiments show improvements over competitive baselines in our MathQA as well as the AQuA dataset. The results are still significantly lower than human performance indicating that the dataset poses new challenges for future research. Our dataset is available at: https://math-qa.github.io/math-QA/

In science and medicine, model interpretations may be reported as discoveries of natural phenomena or used to guide patient treatments. In such high-stakes tasks, false discoveries may lead investigators astray. These applications would therefore benefit from control over the finite-sample error rate of interpretations. We reframe black box model interpretability as a multiple hypothesis testing problem. The task is to discover "important" features by testing whether the model prediction is significantly different from what would be expected if the features were replaced with uninformative counterfactuals. We propose two testing methods: one that provably controls the false discovery rate but which is not yet feasible for large-scale applications, and an approximate testing method which can be applied to real-world data sets. In simulation, both tests have high power relative to existing interpretability methods. When applied to state-of-the-art vision and language models, the framework selects features that intuitively explain model predictions. The resulting explanations have the additional advantage that they are themselves easy to interpret.

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

Data of sequential nature arise in many application domains in forms of, e.g. textual data, DNA sequences, and software execution traces. Different research disciplines have developed methods to learn sequence models from such datasets: (i) in the machine learning field methods such as (hidden) Markov models and recurrent neural networks have been developed and successfully applied to a wide-range of tasks, (ii) in process mining process discovery techniques aim to generate human-interpretable descriptive models, and (iii) in the grammar inference field the focus is on finding descriptive models in the form of formal grammars. Despite their different focuses, these fields share a common goal - learning a model that accurately describes the behavior in the underlying data. Those sequence models are generative, i.e, they can predict what elements are likely to occur after a given unfinished sequence. So far, these fields have developed mainly in isolation from each other and no comparison exists. This paper presents an interdisciplinary experimental evaluation that compares sequence modeling techniques on the task of next-element prediction on four real-life sequence datasets. The results indicate that machine learning techniques that generally have no aim at interpretability in terms of accuracy outperform techniques from the process mining and grammar inference fields that aim to yield interpretable models.

Given the complexity and lack of transparency in deep neural networks (DNNs), extensive efforts have been made to make these systems more interpretable or explain their behaviors in accessible terms. Unlike most reviews, which focus on algorithmic and model-centric perspectives, this work takes a "data-centric" view, examining how data collection, processing, and analysis contribute to explainable AI (XAI). We categorize existing work into three categories subject to their purposes: interpretations of deep models, referring to feature attributions and reasoning processes that correlate data points with model outputs; influences of training data, examining the impact of training data nuances, such as data valuation and sample anomalies, on decision-making processes; and insights of domain knowledge, discovering latent patterns and fostering new knowledge from data and models to advance social values and scientific discovery. Specifically, we distill XAI methodologies into data mining operations on training and testing data across modalities, such as images, text, and tabular data, as well as on training logs, checkpoints, models and other DNN behavior descriptors. In this way, our study offers a comprehensive, data-centric examination of XAI from a lens of data mining methods and applications.

We introduce a new approach to systematically map features discovered by sparse autoencoder across consecutive layers of large language models, extending earlier work that examined inter-layer feature links. By using a data-free cosine similarity technique, we trace how specific features persist, transform, or first appear at each stage. This method yields granular flow graphs of feature evolution, enabling fine-grained interpretability and mechanistic insights into model computations. Crucially, we demonstrate how these cross-layer feature maps facilitate direct steering of model behavior by amplifying or suppressing chosen features, achieving targeted thematic control in text generation. Together, our findings highlight the utility of a causal, cross-layer interpretability framework that not only clarifies how features develop through forward passes but also provides new means for transparent manipulation of large language models.

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

Inspecting the information encoded in hidden representations of large language models (LLMs) can explain models' behavior and verify their alignment with human values. Given the capabilities of LLMs in generating human-understandable text, we propose leveraging the model itself to explain its internal representations in natural language. We introduce a framework called Patchscopes and show how it can be used to answer a wide range of research questions about an LLM's computation. We show that prior interpretability methods based on projecting representations into the vocabulary space and intervening on the LLM computation, can be viewed as special instances of this framework. Moreover, several of their shortcomings such as failure in inspecting early layers or lack of expressivity can be mitigated by a Patchscope. Beyond unifying prior inspection techniques, Patchscopes also opens up new possibilities such as using a more capable model to explain the representations of a smaller model, and unlocks new applications such as self-correction in multi-hop reasoning.

Pretrained language models (PLMs) have made significant strides in various natural language processing tasks. However, the lack of interpretability due to their ``black-box'' nature poses challenges for responsible implementation. Although previous studies have attempted to improve interpretability by using, e.g., attention weights in self-attention layers, these weights often lack clarity, readability, and intuitiveness. In this research, we propose a novel approach to interpreting PLMs by employing high-level, meaningful concepts that are easily understandable for humans. For example, we learn the concept of ``Food'' and investigate how it influences the prediction of a model's sentiment towards a restaurant review. We introduce C^3M, which combines human-annotated and machine-generated concepts to extract hidden neurons designed to encapsulate semantically meaningful and task-specific concepts. Through empirical evaluations on real-world datasets, we manifest that our approach offers valuable insights to interpret PLM behavior, helps diagnose model failures, and enhances model robustness amidst noisy concept labels.

This work aims to build a text embedder that can capture characteristics of texts specified by user instructions. Despite its tremendous potential to deploy user-oriented embeddings, none of previous approaches provides a concrete solution for it. This paper offers a new viewpoint, which treats the instruction as a question about the input text and encodes the expected answers to obtain the representation accordingly. Intuitively, texts with the same (implicit) semantics would share similar answers following the instruction, thus leading to more similar embeddings. Specifically, we propose InBedder that instantiates this embed-via-answering idea by only fine-tuning language models on abstractive question answering tasks. InBedder demonstrates significantly improved instruction-following capabilities according to our proposed instruction awareness tests and instruction robustness tests, when applied to both large language models (LLMs) (e.g., llama-2-7b) and smaller encoder-based LMs (e.g., roberta-large). Additionally, our qualitative analysis of clustering outcomes, achieved by applying different instructions to the same corpus, demonstrates a high degree of interpretability.

Quantization methods are widely used to accelerate inference and streamline the deployment of large language models (LLMs). While prior research has extensively investigated the degradation of various LLM capabilities due to quantization, its effects on model explainability and interpretability, which are crucial for understanding decision-making processes, remain unexplored. To address this gap, we conduct comprehensive experiments using three common quantization techniques at distinct bit widths, in conjunction with two explainability methods, counterfactual examples and natural language explanations, as well as two interpretability approaches, knowledge memorization analysis and latent multi-hop reasoning analysis. We complement our analysis with a thorough user study, evaluating selected explainability methods. Our findings reveal that, depending on the configuration, quantization can significantly impact model explainability and interpretability. Notably, the direction of this effect is not consistent, as it strongly depends on (1) the quantization method, (2) the explainability or interpretability approach, and (3) the evaluation protocol. In some settings, human evaluation shows that quantization degrades explainability, while in others, it even leads to improvements. Our work serves as a cautionary tale, demonstrating that quantization can unpredictably affect model transparency. This insight has important implications for deploying LLMs in applications where transparency is a critical requirement.

In recent years, the community of 'explainable artificial intelligence' (XAI) has created a vast body of methods to bridge a perceived gap between model 'complexity' and 'interpretability'. However, a concrete problem to be solved by XAI methods has not yet been formally stated. As a result, XAI methods are lacking theoretical and empirical evidence for the 'correctness' of their explanations, limiting their potential use for quality-control and transparency purposes. At the same time, Haufe et al. (2014) showed, using simple toy examples, that even standard interpretations of linear models can be highly misleading. Specifically, high importance may be attributed to so-called suppressor variables lacking any statistical relation to the prediction target. This behavior has been confirmed empirically for a large array of XAI methods in Wilming et al. (2022). Here, we go one step further by deriving analytical expressions for the behavior of a variety of popular XAI methods on a simple two-dimensional binary classification problem involving Gaussian class-conditional distributions. We show that the majority of the studied approaches will attribute non-zero importance to a non-class-related suppressor feature in the presence of correlated noise. This poses important limitations on the interpretations and conclusions that the outputs of these XAI methods can afford.

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.

Algorithmic approaches to interpreting machine learning models have proliferated in recent years. We carry out human subject tests that are the first of their kind to isolate the effect of algorithmic explanations on a key aspect of model interpretability, simulatability, while avoiding important confounding experimental factors. A model is simulatable when a person can predict its behavior on new inputs. Through two kinds of simulation tests involving text and tabular data, we evaluate five explanations methods: (1) LIME, (2) Anchor, (3) Decision Boundary, (4) a Prototype model, and (5) a Composite approach that combines explanations from each method. Clear evidence of method effectiveness is found in very few cases: LIME improves simulatability in tabular classification, and our Prototype method is effective in counterfactual simulation tests. We also collect subjective ratings of explanations, but we do not find that ratings are predictive of how helpful explanations are. Our results provide the first reliable and comprehensive estimates of how explanations influence simulatability across a variety of explanation methods and data domains. We show that (1) we need to be careful about the metrics we use to evaluate explanation methods, and (2) there is significant room for improvement in current methods. All our supporting code, data, and models are publicly available at: https://github.com/peterbhase/InterpretableNLP-ACL2020

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

Interpretability research often aims to predict how a model will respond to targeted interventions on specific mechanisms. However, it rarely predicts how a model will respond to unseen input data. This paper explores the promises and challenges of interpretability as a tool for predicting out-of-distribution (OOD) model behavior. Specifically, we investigate the correspondence between attention patterns and OOD generalization in hundreds of Transformer models independently trained on a synthetic classification task. These models exhibit several distinct systematic generalization rules OOD, forming a diverse population for correlational analysis. In this setting, we find that simple observational tools from interpretability can predict OOD performance. In particular, when in-distribution attention exhibits hierarchical patterns, the model is likely to generalize hierarchically on OOD data -- even when the rule's implementation does not rely on these hierarchical patterns, according to ablation tests. Our findings offer a proof-of-concept to motivate further interpretability work on predicting unseen model behavior.

Prototype models are an important method for explainable artificial intelligence (XAI) and interpretable machine learning. In this paper, we perform an in-depth analysis of a set of prominent prototype models including ProtoPNet, ProtoPool and PIPNet. For their assessment, we apply a comprehensive set of metrics. In addition to applying standard metrics from literature, we propose several new metrics to further complement the analysis of model interpretability. In our experimentation, we apply the set of prototype models on a diverse set of datasets including fine-grained classification, Non-IID settings and multi-label classification to further contrast the performance. Furthermore, we also provide our code as an open-source library (https://github.com/uos-sis/quanproto), which facilitates simple application of the metrics itself, as well as extensibility -- providing the option for easily adding new metrics and models.

Via thousands of papers in Explainable AI (XAI), attention maps vaswani2017attention and feature attribution maps bansal2020sam have been established as a common means for explaining the input features that are important to AI's decisions. It is an interesting but unexplored question whether allowing users to edit the importance scores of input features at test time would improve the human-AI team's accuracy on downstream tasks. In this paper, we address this question by taking CHM-Corr, a state-of-the-art, ante-hoc explanation method taesiri2022visual that first predicts patch-wise correspondences between the input and the training-set images, and then uses them to make classification decisions. We build an interactive interface on top of CHM-Corr, enabling users to directly edit the initial feature attribution map provided by CHM-Corr. Via our CHM-Corr++ interface, users gain insights into if, when, and how the model changes its outputs, enhancing understanding beyond static explanations. Our user study with 18 machine learning researchers who performed sim1,400 decisions shows that our interactive approach does not improve user accuracy on CUB-200 bird image classification over static explanations. This challenges the belief that interactivity inherently boosts XAI effectiveness~sokol2020one,sun2022exploring,shen2024towards,singh2024rethinking,mindlin2024beyond,lakkaraju2022rethinking,cheng2019explaining,liu2021understanding and raises needs for future research. Our work contributes to the field by open-sourcing an interactive tool for manipulating model attention, and it lays the groundwork for future research to enable effective human-AI interaction in computer vision. We release code and data on https://anonymous.4open.science/r/CHMCorrPlusPlus/{github}. Our interface are available http://137.184.82.109:7080/{here}.

In this work we build a stack of machine learning models aimed at composing a state-of-the-art credit rating and default prediction system, obtaining excellent out-of-sample performances. Our approach is an excursion through the most recent ML / AI concepts, starting from natural language processes (NLP) applied to economic sectors' (textual) descriptions using embedding and autoencoders (AE), going through the classification of defaultable firms on the base of a wide range of economic features using gradient boosting machines (GBM) and calibrating their probabilities paying due attention to the treatment of unbalanced samples. Finally we assign credit ratings through genetic algorithms (differential evolution, DE). Model interpretability is achieved by implementing recent techniques such as SHAP and LIME, which explain predictions locally in features' space.

Sequences have become first class citizens in supervised learning thanks to the resurgence of recurrent neural networks. Many complex tasks that require mapping from or to a sequence of observations can now be formulated with the sequence-to-sequence (seq2seq) framework which employs the chain rule to efficiently represent the joint probability of sequences. In many cases, however, variable sized inputs and/or outputs might not be naturally expressed as sequences. For instance, it is not clear how to input a set of numbers into a model where the task is to sort them; similarly, we do not know how to organize outputs when they correspond to random variables and the task is to model their unknown joint probability. In this paper, we first show using various examples that the order in which we organize input and/or output data matters significantly when learning an underlying model. We then discuss an extension of the seq2seq framework that goes beyond sequences and handles input sets in a principled way. In addition, we propose a loss which, by searching over possible orders during training, deals with the lack of structure of output sets. We show empirical evidence of our claims regarding ordering, and on the modifications to the seq2seq framework on benchmark language modeling and parsing tasks, as well as two artificial tasks -- sorting numbers and estimating the joint probability of unknown graphical models.

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

This paper presents a systematic review of benchmarks and approaches for explainability in Machine Reading Comprehension (MRC). We present how the representation and inference challenges evolved and the steps which were taken to tackle these challenges. We also present the evaluation methodologies to assess the performance of explainable systems. In addition, we identify persisting open research questions and highlight critical directions for future work.

Abstractive summarization systems today produce fluent and relevant output, but often "hallucinate" statements not supported by the source text. We analyze the connection between hallucinations and training data, and find evidence that models hallucinate because they train on target summaries that are unsupported by the source. Based on our findings, we present PINOCCHIO, a new decoding method that improves the consistency of a transformer-based abstractive summarizer by constraining beam search to avoid hallucinations. Given the model states and outputs at a given step, PINOCCHIO detects likely model hallucinations based on various measures of attribution to the source text. PINOCCHIO backtracks to find more consistent output, and can opt to produce no summary at all when no consistent generation can be found. In experiments, we find that PINOCCHIO improves the consistency of generation (in terms of F1) by an average of~67% on two abstractive summarization datasets.

In this work, we study the challenge of providing human-understandable descriptions for failure modes in trained image classification models. Existing works address this problem by first identifying clusters (or directions) of incorrectly classified samples in a latent space and then aiming to provide human-understandable text descriptions for them. We observe that in some cases, describing text does not match well with identified failure modes, partially owing to the fact that shared interpretable attributes of failure modes may not be captured using clustering in the feature space. To improve on these shortcomings, we propose a novel approach that prioritizes interpretability in this problem: we start by obtaining human-understandable concepts (tags) of images in the dataset and then analyze the model's behavior based on the presence or absence of combinations of these tags. Our method also ensures that the tags describing a failure mode form a minimal set, avoiding redundant and noisy descriptions. Through several experiments on different datasets, we show that our method successfully identifies failure modes and generates high-quality text descriptions associated with them. These results highlight the importance of prioritizing interpretability in understanding model failures.

Recent research on explainable recommendation generally frames the task as a standard text generation problem, and evaluates models simply based on the textual similarity between the predicted and ground-truth explanations. However, this approach fails to consider one crucial aspect of the systems: whether their outputs accurately reflect the users' (post-purchase) sentiments, i.e., whether and why they would like and/or dislike the recommended items. To shed light on this issue, we introduce new datasets and evaluation methods that focus on the users' sentiments. Specifically, we construct the datasets by explicitly extracting users' positive and negative opinions from their post-purchase reviews using an LLM, and propose to evaluate systems based on whether the generated explanations 1) align well with the users' sentiments, and 2) accurately identify both positive and negative opinions of users on the target items. We benchmark several recent models on our datasets and demonstrate that achieving strong performance on existing metrics does not ensure that the generated explanations align well with the users' sentiments. Lastly, we find that existing models can provide more sentiment-aware explanations when the users' (predicted) ratings for the target items are directly fed into the models as input. We will release our code and datasets upon acceptance.

We describe HypotheSAEs, a general method to hypothesize interpretable relationships between text data (e.g., headlines) and a target variable (e.g., clicks). HypotheSAEs has three steps: (1) train a sparse autoencoder on text embeddings to produce interpretable features describing the data distribution, (2) select features that predict the target variable, and (3) generate a natural language interpretation of each feature (e.g., "mentions being surprised or shocked") using an LLM. Each interpretation serves as a hypothesis about what predicts the target variable. Compared to baselines, our method better identifies reference hypotheses on synthetic datasets (at least +0.06 in F1) and produces more predictive hypotheses on real datasets (~twice as many significant findings), despite requiring 1-2 orders of magnitude less compute than recent LLM-based methods. HypotheSAEs also produces novel discoveries on two well-studied tasks: explaining partisan differences in Congressional speeches and identifying drivers of engagement with online headlines.

To demystify the "black box" property of deep neural networks for natural language processing (NLP), several methods have been proposed to interpret their predictions by measuring the change in prediction probability after erasing each token of an input. Since existing methods replace each token with a predefined value (i.e., zero), the resulting sentence lies out of the training data distribution, yielding misleading interpretations. In this study, we raise the out-of-distribution problem induced by the existing interpretation methods and present a remedy; we propose to marginalize each token out. We interpret various NLP models trained for sentiment analysis and natural language inference using the proposed method.

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.

Joint entity and relation extraction plays a pivotal role in various applications, notably in the construction of knowledge graphs. Despite recent progress, existing approaches often fall short in two key aspects: richness of representation and coherence in output structure. These models often rely on handcrafted heuristics for computing entity and relation representations, potentially leading to loss of crucial information. Furthermore, they disregard task and/or dataset-specific constraints, resulting in output structures that lack coherence. In our work, we introduce EnriCo, which mitigates these shortcomings. Firstly, to foster rich and expressive representation, our model leverage attention mechanisms that allow both entities and relations to dynamically determine the pertinent information required for accurate extraction. Secondly, we introduce a series of decoding algorithms designed to infer the highest scoring solutions while adhering to task and dataset-specific constraints, thus promoting structured and coherent outputs. Our model demonstrates competitive performance compared to baselines when evaluated on Joint IE datasets.

We present an empirical evaluation of various outputs generated by nine of the most widely-available large language models (LLMs). Our analysis is done with off-the-shelf, readily-available tools. We find a correlation between percentage of memorized text, percentage of unique text, and overall output quality, when measured with respect to output pathologies such as counterfactual and logically-flawed statements, and general failures like not staying on topic. Overall, 80.0% of the outputs evaluated contained memorized data, but outputs containing the most memorized content were also more likely to be considered of high quality. We discuss and evaluate mitigation strategies, showing that, in the models evaluated, the rate of memorized text being output is reduced. We conclude with a discussion on potential implications around what it means to learn, to memorize, and to evaluate quality text.

The output structure of database-like tables, consisting of values structured in horizontal rows and vertical columns identifiable by name, can cover a wide range of NLP tasks. Following this constatation, we propose a framework for text-to-table neural models applicable to problems such as extraction of line items, joint entity and relation extraction, or knowledge base population. The permutation-based decoder of our proposal is a generalized sequential method that comprehends information from all cells in the table. The training maximizes the expected log-likelihood for a table's content across all random permutations of the factorization order. During the content inference, we exploit the model's ability to generate cells in any order by searching over possible orderings to maximize the model's confidence and avoid substantial error accumulation, which other sequential models are prone to. Experiments demonstrate a high practical value of the framework, which establishes state-of-the-art results on several challenging datasets, outperforming previous solutions by up to 15%.

The integration of Large Language Models (LLMs) into various applications has driven the need for structured and reliable responses. A key challenge in Retrieval-Augmented Generation (RAG) systems is ensuring that outputs align with expected formats while minimizing hallucinations. This study examines the role of guided decoding in RAG systems, comparing three methods, Outlines, XGrammar, and LM Format Enforcer, across different multi-turn prompting setups (0-turn, 1-turn, and 2-turn). By evaluating success rates, hallucination rates, and output quality, we provide insights into their performance and applicability. Our findings reveal how multi-turn interactions influence guided decoding, uncovering unexpected performance variations that can inform method selection for specific use cases. This work advances the understanding of structured output generation in RAG systems, offering both theoretical insights and practical guidance for LLM deployment.

Interpretability and explainability of deep neural networks are challenging due to their scale, complexity, and the agreeable notions on which the explaining process rests. Previous work, in particular, has focused on representing internal components of neural networks through human-friendly visuals and concepts. On the other hand, in real life, when making a decision, human tends to rely on similar situations and/or associations in the past. Hence arguably, a promising approach to make the model transparent is to design it in a way such that the model explicitly connects the current sample with the seen ones, and bases its decision on these samples. Grounded on that principle, we propose in this paper an explainable, evidence-based memory network architecture, which learns to summarize the dataset and extract supporting evidences to make its decision. Our model achieves state-of-the-art performance on two popular question answering datasets (i.e. TrecQA and WikiQA). Via further analysis, we show that this model can reliably trace the errors it has made in the validation step to the training instances that might have caused these errors. We believe that this error-tracing capability provides significant benefit in improving dataset quality in many applications.

Extractive summarization plays a pivotal role in natural language processing due to its wide-range applications in summarizing diverse content efficiently, while also being faithful to the original content. Despite significant advancement achieved in extractive summarization by Large Language Models (LLMs), these summaries frequently exhibit incoherence. An important aspect of the coherent summary is its readability for intended users. Although there have been many datasets and benchmarks proposed for creating coherent extractive summaries, none of them currently incorporate user intent to improve coherence in extractive summarization. Motivated by this, we propose a systematically created human-annotated dataset consisting of coherent summaries for five publicly available datasets and natural language user feedback, offering valuable insights into how to improve coherence in extractive summaries. We utilize this dataset for aligning LLMs through supervised fine-tuning with natural language human feedback to enhance the coherence of their generated summaries. Preliminary experiments with Falcon-40B and Llama-2-13B show significant performance improvements (~10% Rouge-L) in terms of producing coherent summaries. We further utilize human feedback to benchmark results over instruction-tuned models such as FLAN-T5 which resulted in several interesting findings. Data and source code are available at https://github.com/Mihir3009/Extract-AI.

The concept of causal abstraction got recently popularised to demystify the opaque decision-making processes of machine learning models; in short, a neural network can be abstracted as a higher-level algorithm if there exists a function which allows us to map between them. Notably, most interpretability papers implement these maps as linear functions, motivated by the linear representation hypothesis: the idea that features are encoded linearly in a model's representations. However, this linearity constraint is not required by the definition of causal abstraction. In this work, we critically examine the concept of causal abstraction by considering arbitrarily powerful alignment maps. In particular, we prove that under reasonable assumptions, any neural network can be mapped to any algorithm, rendering this unrestricted notion of causal abstraction trivial and uninformative. We complement these theoretical findings with empirical evidence, demonstrating that it is possible to perfectly map models to algorithms even when these models are incapable of solving the actual task; e.g., on an experiment using randomly initialised language models, our alignment maps reach 100% interchange-intervention accuracy on the indirect object identification task. This raises the non-linear representation dilemma: if we lift the linearity constraint imposed to alignment maps in causal abstraction analyses, we are left with no principled way to balance the inherent trade-off between these maps' complexity and accuracy. Together, these results suggest an answer to our title's question: causal abstraction is not enough for mechanistic interpretability, as it becomes vacuous without assumptions about how models encode information. Studying the connection between this information-encoding assumption and causal abstraction should lead to exciting future work.

We consider the problem of translating high-level textual descriptions to formal representations in technical documentation as part of an effort to model the meaning of such documentation. We focus specifically on the problem of learning translational correspondences between text descriptions and grounded representations in the target documentation, such as formal representation of functions or code templates. Our approach exploits the parallel nature of such documentation, or the tight coupling between high-level text and the low-level representations we aim to learn. Data is collected by mining technical documents for such parallel text-representation pairs, which we use to train a simple semantic parsing model. We report new baseline results on sixteen novel datasets, including the standard library documentation for nine popular programming languages across seven natural languages, and a small collection of Unix utility manuals.

Property prediction accuracy has long been a key parameter of machine learning in materials informatics. Accordingly, advanced models showing state-of-the-art performance turn into highly parameterized black boxes missing interpretability. Here, we present an elegant way to make their reasoning transparent. Human-readable text-based descriptions automatically generated within a suite of open-source tools are proposed as materials representation. Transformer language models pretrained on 2 million peer-reviewed articles take as input well-known terms, e.g., chemical composition, crystal symmetry, and site geometry. Our approach outperforms crystal graph networks by classifying four out of five analyzed properties if one considers all available reference data. Moreover, fine-tuned text-based models show high accuracy in the ultra-small data limit. Explanations of their internal machinery are produced using local interpretability techniques and are faithful and consistent with domain expert rationales. This language-centric framework makes accurate property predictions accessible to people without artificial-intelligence expertise.

Individual neurons participate in the representation of multiple high-level concepts. To what extent can different interpretability methods successfully disentangle these roles? To help address this question, we introduce RAVEL (Resolving Attribute-Value Entanglements in Language Models), a dataset that enables tightly controlled, quantitative comparisons between a variety of existing interpretability methods. We use the resulting conceptual framework to define the new method of Multi-task Distributed Alignment Search (MDAS), which allows us to find distributed representations satisfying multiple causal criteria. With Llama2-7B as the target language model, MDAS achieves state-of-the-art results on RAVEL, demonstrating the importance of going beyond neuron-level analyses to identify features distributed across activations. We release our benchmark at https://github.com/explanare/ravel.

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

Concept-based interpretability methods aim to explain deep neural network model predictions using a predefined set of semantic concepts. These methods evaluate a trained model on a new, "probe" dataset and correlate model predictions with the visual concepts labeled in that dataset. Despite their popularity, they suffer from limitations that are not well-understood and articulated by the literature. In this work, we analyze three commonly overlooked factors in concept-based explanations. First, the choice of the probe dataset has a profound impact on the generated explanations. Our analysis reveals that different probe datasets may lead to very different explanations, and suggests that the explanations are not generalizable outside the probe dataset. Second, we find that concepts in the probe dataset are often less salient and harder to learn than the classes they claim to explain, calling into question the correctness of the explanations. We argue that only visually salient concepts should be used in concept-based explanations. Finally, while existing methods use hundreds or even thousands of concepts, our human studies reveal a much stricter upper bound of 32 concepts or less, beyond which the explanations are much less practically useful. We make suggestions for future development and analysis of concept-based interpretability methods. Code for our analysis and user interface can be found at https://github.com/princetonvisualai/OverlookedFactors

Despite the extensive success of pretrained language models as encoders for building NLP systems, they haven't seen prominence as decoders for sequence generation tasks. We explore the question of whether these models can be adapted to be used as universal decoders. To be considered "universal," a decoder must have an implicit representation for any target sentence s, such that it can recover that sentence exactly when conditioned on its representation. For large transformer-based language models trained on vast amounts of English text, we investigate whether such representations can be easily discovered using standard optimization methods. We present and compare three representation injection techniques for transformer-based models and three accompanying methods which map sentences to and from this representation space. Experiments show that not only do representations exist for sentences from a variety of genres. More importantly, without needing complex optimization algorithms, our methods recover these sentences almost perfectly without fine-tuning the underlying language model at all.

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

This paper introduces a novel approach for identifying the possible large language models (LLMs) involved in text generation. Instead of adding an additional classification layer to a base LM, we reframe the classification task as a next-token prediction task and directly fine-tune the base LM to perform it. We utilize the Text-to-Text Transfer Transformer (T5) model as the backbone for our experiments. We compared our approach to the more direct approach of utilizing hidden states for classification. Evaluation shows the exceptional performance of our method in the text classification task, highlighting its simplicity and efficiency. Furthermore, interpretability studies on the features extracted by our model reveal its ability to differentiate distinctive writing styles among various LLMs even in the absence of an explicit classifier. We also collected a dataset named OpenLLMText, containing approximately 340k text samples from human and LLMs, including GPT3.5, PaLM, LLaMA, and GPT2.

We present a novel approach to feature labeling using gradient descent in token-space. While existing methods typically use language models to generate hypotheses about feature meanings, our method directly optimizes label representations by using a language model as a discriminator to predict feature activations. We formulate this as a multi-objective optimization problem in token-space, balancing prediction accuracy, entropy minimization, and linguistic naturalness. Our proof-of-concept experiments demonstrate successful convergence to interpretable single-token labels across diverse domains, including features for detecting animals, mammals, Chinese text, and numbers. Although our current implementation is constrained to single-token labels and relatively simple features, the results suggest that token-space gradient descent could become a valuable addition to the interpretability researcher's toolkit.

Understanding the decision-making processes of neural networks is a central goal of mechanistic interpretability. In the context of Large Language Models (LLMs), this involves uncovering the underlying mechanisms and identifying the roles of individual model components such as neurons and attention heads, as well as model abstractions such as the learned sparse features extracted by Sparse Autoencoders (SAEs). A rapidly growing line of work tackles this challenge by using powerful generator models to produce open-vocabulary, natural language concept descriptions for these components. In this paper, we provide the first survey of the emerging field of concept descriptions for model components and abstractions. We chart the key methods for generating these descriptions, the evolving landscape of automated and human metrics for evaluating them, and the datasets that underpin this research. Our synthesis reveals a growing demand for more rigorous, causal evaluation. By outlining the state of the art and identifying key challenges, this survey provides a roadmap for future research toward making models more transparent.

Natural language interfaces often require supervised data to translate user requests into programs, database queries, or other structured intent representations. During data collection, it can be difficult to anticipate and formalize the full range of user needs -- for example, in a system designed to handle simple requests (like find my meetings tomorrow or move my meeting with my manager to noon), users may also express more elaborate requests (like swap all my calls on Monday and Tuesday). We introduce an approach for equipping a simple language-to-code model to handle complex utterances via a process of hierarchical natural language decomposition. Our approach uses a pre-trained language model to decompose a complex utterance into a sequence of smaller natural language steps, then interprets each step using the language-to-code model. To test our approach, we collect and release DeCU -- a new NL-to-program benchmark to evaluate Decomposition of Complex Utterances. Experiments show that the proposed approach enables the interpretation of complex utterances with almost no complex training data, while outperforming standard few-shot prompting approaches.

We propose SemCSE-Multi, a novel unsupervised framework for generating multifaceted embeddings of scientific abstracts, evaluated in the domains of invasion biology and medicine. These embeddings capture distinct, individually specifiable aspects in isolation, thus enabling fine-grained and controllable similarity assessments as well as adaptive, user-driven visualizations of scientific domains. Our approach relies on an unsupervised procedure that produces aspect-specific summarizing sentences and trains embedding models to map semantically related summaries to nearby positions in the embedding space. We then distill these aspect-specific embedding capabilities into a unified embedding model that directly predicts multiple aspect embeddings from a scientific abstract in a single, efficient forward pass. In addition, we introduce an embedding decoding pipeline that decodes embeddings back into natural language descriptions of their associated aspects. Notably, we show that this decoding remains effective even for unoccupied regions in low-dimensional visualizations, thus offering vastly improved interpretability in user-centric settings.

Approaching new data can be quite deterrent; you do not know how your categories of interest are realized in it, commonly, there is no labeled data at hand, and the performance of domain adaptation methods is unsatisfactory. Aiming to assist domain experts in their first steps into a new task over a new corpus, we present an unsupervised approach to reveal complex rules which cluster the unexplored corpus by its prominent categories (or facets). These rules are human-readable, thus providing an important ingredient which has become in short supply lately - explainability. Each rule provides an explanation for the commonality of all the texts it clusters together. We present an extensive evaluation of the usefulness of these rules in identifying target categories, as well as a user study which assesses their interpretability.

As Transformers have become state-of-the-art models for natural language processing (NLP) tasks, the need to understand and explain their predictions is increasingly apparent. Especially in unsupervised applications, such as information retrieval tasks, similarity models built on top of foundation model representations have been widely applied. However, their inner prediction mechanisms have mostly remained opaque. Recent advances in explainable AI have made it possible to mitigate these limitations by leveraging improved explanations for Transformers through layer-wise relevance propagation (LRP). Using BiLRP, an extension developed for computing second-order explanations in bilinear similarity models, we investigate which feature interactions drive similarity in NLP models. We validate the resulting explanations and demonstrate their utility in three corpus-level use cases, analyzing grammatical interactions, multilingual semantics, and biomedical text retrieval. Our findings contribute to a deeper understanding of different semantic similarity tasks and models, highlighting how novel explainable AI methods enable in-depth analyses and corpus-level insights.

The popularity of machine learning has increased the risk of unfair models getting deployed in high-stake applications, such as justice system, drug/vaccination design, and medical diagnosis. Although there are effective methods to train fair models from scratch, how to automatically reveal and explain the unfairness of a trained model remains a challenging task. Revealing unfairness of machine learning models in interpretable fashion is a critical step towards fair and trustworthy AI. In this paper, we systematically tackle the novel task of revealing unfair models by mining interpretable evidence (RUMIE). The key idea is to find solid evidence in the form of a group of data instances discriminated most by the model. To make the evidence interpretable, we also find a set of human-understandable key attributes and decision rules that characterize the discriminated data instances and distinguish them from the other non-discriminated data. As demonstrated by extensive experiments on many real-world data sets, our method finds highly interpretable and solid evidence to effectively reveal the unfairness of trained models. Moreover, it is much more scalable than all of the baseline methods.

Interpretability is a key challenge in fostering trust for Large Language Models (LLMs), which stems from the complexity of extracting reasoning from model's parameters. We present the Frame Representation Hypothesis, a theoretically robust framework grounded in the Linear Representation Hypothesis (LRH) to interpret and control LLMs by modeling multi-token words. Prior research explored LRH to connect LLM representations with linguistic concepts, but was limited to single token analysis. As most words are composed of several tokens, we extend LRH to multi-token words, thereby enabling usage on any textual data with thousands of concepts. To this end, we propose words can be interpreted as frames, ordered sequences of vectors that better capture token-word relationships. Then, concepts can be represented as the average of word frames sharing a common concept. We showcase these tools through Top-k Concept-Guided Decoding, which can intuitively steer text generation using concepts of choice. We verify said ideas on Llama 3.1, Gemma 2, and Phi 3 families, demonstrating gender and language biases, exposing harmful content, but also potential to remediate them, leading to safer and more transparent LLMs. Code is available at https://github.com/phvv-me/frame-representation-hypothesis.git

Language models have recently been shown capable of performing regression tasks wherein numeric predictions are represented as decoded strings. In this work, we provide theoretical grounds for this capability and furthermore investigate the utility of causal auto-regressive sequence models when they are applied to any feature representation. We find that, despite being trained in the usual way - for next-token prediction via cross-entropy loss - decoding-based regression is as performant as traditional approaches for tabular regression tasks, while being flexible enough to capture arbitrary distributions, such as in the task of density estimation.

Research in mechanistic interpretability seeks to explain behaviors of machine learning models in terms of their internal components. However, most previous work either focuses on simple behaviors in small models, or describes complicated behaviors in larger models with broad strokes. In this work, we bridge this gap by presenting an explanation for how GPT-2 small performs a natural language task called indirect object identification (IOI). Our explanation encompasses 26 attention heads grouped into 7 main classes, which we discovered using a combination of interpretability approaches relying on causal interventions. To our knowledge, this investigation is the largest end-to-end attempt at reverse-engineering a natural behavior "in the wild" in a language model. We evaluate the reliability of our explanation using three quantitative criteria--faithfulness, completeness and minimality. Though these criteria support our explanation, they also point to remaining gaps in our understanding. Our work provides evidence that a mechanistic understanding of large ML models is feasible, opening opportunities to scale our understanding to both larger models and more complex tasks.

Local models have recently attained astounding performances in Entity Disambiguation (ED), with generative and extractive formulations being the most promising research directions. However, previous works limited their studies to using, as the textual representation of each candidate, only its Wikipedia title. Although certainly effective, this strategy presents a few critical issues, especially when titles are not sufficiently informative or distinguishable from one another. In this paper, we address this limitation and investigate to what extent more expressive textual representations can mitigate it. We thoroughly evaluate our approach against standard benchmarks in ED and find extractive formulations to be particularly well-suited to these representations: we report a new state of the art on 2 out of 6 benchmarks we consider and strongly improve the generalization capability over unseen patterns. We release our code, data and model checkpoints at https://github.com/SapienzaNLP/extend.

Conditional neural text generation models generate high-quality outputs, but often concentrate around a mode when what we really want is a diverse set of options. We present a search algorithm to construct lattices encoding a massive number of generation options. First, we restructure decoding as a best-first search, which explores the space differently than beam search and improves efficiency by avoiding pruning paths. Second, we revisit the idea of hypothesis recombination: we can identify pairs of similar generation candidates during search and merge them as an approximation. On both summarization and machine translation, we show that our algorithm encodes thousands of diverse options that remain grammatical and high-quality into one lattice. This algorithm provides a foundation for building downstream generation applications on top of massive-scale diverse outputs.

Neural metrics for machine translation evaluation, such as COMET, exhibit significant improvements in their correlation with human judgments, as compared to traditional metrics based on lexical overlap, such as BLEU. Yet, neural metrics are, to a great extent, "black boxes" returning a single sentence-level score without transparency about the decision-making process. In this work, we develop and compare several neural explainability methods and demonstrate their effectiveness for interpreting state-of-the-art fine-tuned neural metrics. Our study reveals that these metrics leverage token-level information that can be directly attributed to translation errors, as assessed through comparison of token-level neural saliency maps with Multidimensional Quality Metrics (MQM) annotations and with synthetically-generated critical translation errors. To ease future research, we release our code at: https://github.com/Unbabel/COMET/tree/explainable-metrics.

Sparse autoencoders (SAEs) have shown promise in extracting interpretable features from complex neural networks. We present one of the first applications of SAEs to dense text embeddings from large language models, demonstrating their effectiveness in disentangling semantic concepts. By training SAEs on embeddings of over 420,000 scientific paper abstracts from computer science and astronomy, we show that the resulting sparse representations maintain semantic fidelity while offering interpretability. We analyse these learned features, exploring their behaviour across different model capacities and introducing a novel method for identifying ``feature families'' that represent related concepts at varying levels of abstraction. To demonstrate the practical utility of our approach, we show how these interpretable features can be used to precisely steer semantic search, allowing for fine-grained control over query semantics. This work bridges the gap between the semantic richness of dense embeddings and the interpretability of sparse representations. We open source our embeddings, trained sparse autoencoders, and interpreted features, as well as a web app for exploring them.

The task of abductive natural language inference (nli), to decide which hypothesis is the more likely explanation for a set of observations, is a particularly difficult type of NLI. Instead of just determining a causal relationship, it requires common sense to also evaluate how reasonable an explanation is. All recent competitive systems build on top of contextualized representations and make use of transformer architectures for learning an NLI model. When somebody is faced with a particular NLI task, they need to select the best model that is available. This is a time-consuming and resource-intense endeavour. To solve this practical problem, we propose a simple method for predicting the performance without actually fine-tuning the model. We do this by testing how well the pre-trained models perform on the nli task when just comparing sentence embeddings with cosine similarity to what the performance that is achieved when training a classifier on top of these embeddings. We show that the accuracy of the cosine similarity approach correlates strongly with the accuracy of the classification approach with a Pearson correlation coefficient of 0.65. Since the similarity computation is orders of magnitude faster to compute on a given dataset (less than a minute vs. hours), our method can lead to significant time savings in the process of model selection.

Despite the growing popularity of explainable and interpretable machine learning, there is still surprisingly limited work on inherently interpretable clustering methods. Recently, there has been a surge of interest in explaining the classic k-means algorithm, leading to efficient algorithms that approximate k-means clusters using axis-aligned decision trees. However, interpretable variants of k-means have limited applicability in practice, where more flexible clustering methods are often needed to obtain useful partitions of the data. In this work, we investigate interpretable kernel clustering, and propose algorithms that construct decision trees to approximate the partitions induced by kernel k-means, a nonlinear extension of k-means. We further build on previous work on explainable k-means and demonstrate how a suitable choice of features allows preserving interpretability without sacrificing approximation guarantees on the interpretable model.

Estimating the difficulty of a dataset typically involves comparing state-of-the-art models to humans; the bigger the performance gap, the harder the dataset is said to be. However, this comparison provides little understanding of how difficult each instance in a given distribution is, or what attributes make the dataset difficult for a given model. To address these questions, we frame dataset difficulty -- w.r.t. a model V -- as the lack of V-usable information (Xu et al., 2019), where a lower value indicates a more difficult dataset for V. We further introduce pointwise \mathcal{V-information} (PVI) for measuring the difficulty of individual instances w.r.t. a given distribution. While standard evaluation metrics typically only compare different models for the same dataset, V-usable information and PVI also permit the converse: for a given model V, we can compare different datasets, as well as different instances/slices of the same dataset. Furthermore, our framework allows for the interpretability of different input attributes via transformations of the input, which we use to discover annotation artefacts in widely-used NLP benchmarks.

Data-driven optimization uses contextual information and machine learning algorithms to find solutions to decision problems with uncertain parameters. While a vast body of work is dedicated to interpreting machine learning models in the classification setting, explaining decision pipelines involving learning algorithms remains unaddressed. This lack of interpretability can block the adoption of data-driven solutions as practitioners may not understand or trust the recommended decisions. We bridge this gap by introducing a counterfactual explanation methodology tailored to explain solutions to data-driven problems. We introduce two classes of explanations and develop methods to find nearest explanations of random forest and nearest-neighbor predictors. We demonstrate our approach by explaining key problems in operations management such as inventory management and routing.

Representation learning, and interpreting learned representations, are key areas of focus in machine learning and neuroscience. Both fields generally use representations as a means to understand or improve a system's computations. In this work, however, we explore surprising dissociations between representation and computation that may pose challenges for such efforts. We create datasets in which we attempt to match the computational role that different features play, while manipulating other properties of the features or the data. We train various deep learning architectures to compute these multiple abstract features about their inputs. We find that their learned feature representations are systematically biased towards representing some features more strongly than others, depending upon extraneous properties such as feature complexity, the order in which features are learned, and the distribution of features over the inputs. For example, features that are simpler to compute or learned first tend to be represented more strongly and densely than features that are more complex or learned later, even if all features are learned equally well. We also explore how these biases are affected by architectures, optimizers, and training regimes (e.g., in transformers, features decoded earlier in the output sequence also tend to be represented more strongly). Our results help to characterize the inductive biases of gradient-based representation learning. These results also highlight a key challenge for interpretability - or for comparing the representations of models and brains - disentangling extraneous biases from the computationally important aspects of a system's internal representations.

The Transformer architecture has emerged as the dominant choice for building large language models (LLMs). However, with new LLMs emerging on a frequent basis, it is important to consider the potential value of architecture-agnostic approaches that can provide interpretability across a variety of architectures. Despite recent successes in the interpretability of LLMs, many existing approaches rely on complex methods that are often tied to a specific model design and come with a significant computational cost. To address these limitations, we propose a novel technique, called NormXLogit, for assessing the significance of individual input tokens. This method operates based on the input and output representations associated with each token. First, we demonstrate that during the pre-training of LLMs, the norms of word embeddings capture the importance of input tokens. Second, we reveal a significant relationship between a token's importance and the extent to which its representation can resemble the model's final prediction. Through extensive analysis, we show that our approach consistently outperforms existing gradient-based methods in terms of faithfulness. Additionally, our method achieves better performance in layer-wise explanations compared to the most prominent architecture-specific methods.

Automated interpretability research aims to identify concepts encoded in neural network features to enhance human understanding of model behavior. Current feature description methods face two critical challenges: limited robustness and the flawed assumption that each neuron encodes only a single concept (monosemanticity), despite growing evidence that neurons are often polysemantic. This assumption restricts the expressiveness of feature descriptions and limits their ability to capture the full range of behaviors encoded in model internals. To address this, we introduce Polysemantic FeatuRe Identification and Scoring Method (PRISM), a novel framework that captures the inherent complexity of neural network features. Unlike prior approaches that assign a single description per feature, PRISM provides more nuanced descriptions for both polysemantic and monosemantic features. We apply PRISM to language models and, through extensive benchmarking against existing methods, demonstrate that our approach produces more accurate and faithful feature descriptions, improving both overall description quality (via a description score) and the ability to capture distinct concepts when polysemanticity is present (via a polysemanticity score).

In this paper, we investigate the distillation of time series reasoning capabilities into small, instruction-tuned language models as a step toward building interpretable time series foundation models. Leveraging a synthetic dataset of mean-reverting time series with systematically varied trends and noise levels, we generate natural language annotations using a large multimodal model and use these to supervise the fine-tuning of compact Qwen models. We introduce evaluation metrics that assess the quality of the distilled reasoning - focusing on trend direction, noise intensity, and extremum localization - and show that the post-trained models acquire meaningful interpretive capabilities. Our results highlight the feasibility of compressing time series understanding into lightweight, language-capable models suitable for on-device or privacy-sensitive deployment. This work contributes a concrete foundation toward developing small, interpretable models that explain temporal patterns in natural language.

Recent advances in LLMs have made automated scientific research the next frontline in the path to artificial superintelligence. However, these systems are bound either to tasks of narrow scope or the limited creative capabilities of LLMs. We propose Spacer, a scientific discovery system that develops creative and factually grounded concepts without external intervention. Spacer attempts to achieve this via 'deliberate decontextualization,' an approach that disassembles information into atomic units - keywords - and draws creativity from unexplored connections between them. Spacer consists of (i) Nuri, an inspiration engine that builds keyword sets, and (ii) the Manifesting Pipeline that refines these sets into elaborate scientific statements. Nuri extracts novel, high-potential keyword sets from a keyword graph built with 180,000 academic publications in biological fields. The Manifesting Pipeline finds links between keywords, analyzes their logical structure, validates their plausibility, and ultimately drafts original scientific concepts. According to our experiments, the evaluation metric of Nuri accurately classifies high-impact publications with an AUROC score of 0.737. Our Manifesting Pipeline also successfully reconstructs core concepts from the latest top-journal articles solely from their keyword sets. An LLM-based scoring system estimates that this reconstruction was sound for over 85% of the cases. Finally, our embedding space analysis shows that outputs from Spacer are significantly more similar to leading publications compared with those from SOTA LLMs.

In-context learning is a recent paradigm in natural language understanding, where a large pre-trained language model (LM) observes a test instance and a few training examples as its input, and directly decodes the output without any update to its parameters. However, performance has been shown to strongly depend on the selected training examples (termed prompt). In this work, we propose an efficient method for retrieving prompts for in-context learning using annotated data and a LM. Given an input-output pair, we estimate the probability of the output given the input and a candidate training example as the prompt, and label training examples as positive or negative based on this probability. We then train an efficient dense retriever from this data, which is used to retrieve training examples as prompts at test time. We evaluate our approach on three sequence-to-sequence tasks where language utterances are mapped to meaning representations, and find that it substantially outperforms prior work and multiple baselines across the board.

InterpretML is an open-source Python package which exposes machine learning interpretability algorithms to practitioners and researchers. InterpretML exposes two types of interpretability - glassbox models, which are machine learning models designed for interpretability (ex: linear models, rule lists, generalized additive models), and blackbox explainability techniques for explaining existing systems (ex: Partial Dependence, LIME). The package enables practitioners to easily compare interpretability algorithms by exposing multiple methods under a unified API, and by having a built-in, extensible visualization platform. InterpretML also includes the first implementation of the Explainable Boosting Machine, a powerful, interpretable, glassbox model that can be as accurate as many blackbox models. The MIT licensed source code can be downloaded from github.com/microsoft/interpret.

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

We propose a new shared task for tactical data-to-text generation in the domain of source code libraries. Specifically, we focus on text generation of function descriptions from example software projects. Data is drawn from existing resources used for studying the related problem of semantic parser induction (Richardson and Kuhn, 2017b; Richardson and Kuhn, 2017a), and spans a wide variety of both natural languages and programming languages. In this paper, we describe these existing resources, which will serve as training and development data for the task, and discuss plans for building new independent test sets.

Informally, the 'linear representation hypothesis' is the idea that high-level concepts are represented linearly as directions in some representation space. In this paper, we address two closely related questions: What does "linear representation" actually mean? And, how do we make sense of geometric notions (e.g., cosine similarity or projection) in the representation space? To answer these, we use the language of counterfactuals to give two formalizations of "linear representation", one in the output (word) representation space, and one in the input (sentence) space. We then prove these connect to linear probing and model steering, respectively. To make sense of geometric notions, we use the formalization to identify a particular (non-Euclidean) inner product that respects language structure in a sense we make precise. Using this causal inner product, we show how to unify all notions of linear representation. In particular, this allows the construction of probes and steering vectors using counterfactual pairs. Experiments with LLaMA-2 demonstrate the existence of linear representations of concepts, the connection to interpretation and control, and the fundamental role of the choice of inner product.

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

We propose a novel approach to conformal prediction for generative language models (LMs). Standard conformal prediction produces prediction sets -- in place of single predictions -- that have rigorous, statistical performance guarantees. LM responses are typically sampled from the model's predicted distribution over the large, combinatorial output space of natural language. Translating this process to conformal prediction, we calibrate a stopping rule for sampling different outputs from the LM that get added to a growing set of candidates until we are confident that the output set is sufficient. Since some samples may be low-quality, we also simultaneously calibrate and apply a rejection rule for removing candidates from the output set to reduce noise. Similar to conformal prediction, we prove that the sampled set returned by our procedure contains at least one acceptable answer with high probability, while still being empirically precise (i.e., small) on average. Furthermore, within this set of candidate responses, we show that we can also accurately identify subsets of individual components -- such as phrases or sentences -- that are each independently correct (e.g., that are not "hallucinations"), again with statistical guarantees. We demonstrate the promise of our approach on multiple tasks in open-domain question answering, text summarization, and radiology report generation using different LM variants.

Large language models (LLMs) have demonstrated remarkable prediction performance for a growing array of tasks. However, their rapid proliferation and increasing opaqueness have created a growing need for interpretability. Here, we ask whether we can automatically obtain natural language explanations for black box text modules. A "text module" is any function that maps text to a scalar continuous value, such as a submodule within an LLM or a fitted model of a brain region. "Black box" indicates that we only have access to the module's inputs/outputs. We introduce Summarize and Score (SASC), a method that takes in a text module and returns a natural language explanation of the module's selectivity along with a score for how reliable the explanation is. We study SASC in 3 contexts. First, we evaluate SASC on synthetic modules and find that it often recovers ground truth explanations. Second, we use SASC to explain modules found within a pre-trained BERT model, enabling inspection of the model's internals. Finally, we show that SASC can generate explanations for the response of individual fMRI voxels to language stimuli, with potential applications to fine-grained brain mapping. All code for using SASC and reproducing results is made available on Github.

Many recent methods for unsupervised or self-supervised representation learning train feature extractors by maximizing an estimate of the mutual information (MI) between different views of the data. This comes with several immediate problems: For example, MI is notoriously hard to estimate, and using it as an objective for representation learning may lead to highly entangled representations due to its invariance under arbitrary invertible transformations. Nevertheless, these methods have been repeatedly shown to excel in practice. In this paper we argue, and provide empirical evidence, that the success of these methods cannot be attributed to the properties of MI alone, and that they strongly depend on the inductive bias in both the choice of feature extractor architectures and the parametrization of the employed MI estimators. Finally, we establish a connection to deep metric learning and argue that this interpretation may be a plausible explanation for the success of the recently introduced methods.

Recent state-of-the-art authorship attribution methods learn authorship representations of texts in a latent, non-interpretable space, hindering their usability in real-world applications. Our work proposes a novel approach to interpreting these learned embeddings by identifying representative points in the latent space and utilizing LLMs to generate informative natural language descriptions of the writing style of each point. We evaluate the alignment of our interpretable space with the latent one and find that it achieves the best prediction agreement compared to other baselines. Additionally, we conduct a human evaluation to assess the quality of these style descriptions, validating their utility as explanations for the latent space. Finally, we investigate whether human performance on the challenging AA task improves when aided by our system's explanations, finding an average improvement of around +20% in accuracy.

Interpretability is becoming an active research topic as machine learning (ML) models are more widely used to make critical decisions. Tabular data is one of the most commonly used modes of data in diverse applications such as healthcare and finance. Much of the existing interpretability methods used for tabular data only report feature-importance scores -- either locally (per example) or globally (per model) -- but they do not provide interpretation or visualization of how the features interact. We address this limitation by introducing Feature Vectors, a new global interpretability method designed for tabular datasets. In addition to providing feature-importance, Feature Vectors discovers the inherent semantic relationship among features via an intuitive feature visualization technique. Our systematic experiments demonstrate the empirical utility of this new method by applying it to several real-world datasets. We further provide an easy-to-use Python package for Feature Vectors.

Graph Neural Networks (GNNs) are neural models that leverage the dependency structure in graphical data via message passing among the graph nodes. GNNs have emerged as pivotal architectures in analyzing graph-structured data, and their expansive application in sensitive domains requires a comprehensive understanding of their decision-making processes -- necessitating a framework for GNN explainability. An explanation function for GNNs takes a pre-trained GNN along with a graph as input, to produce a `sufficient statistic' subgraph with respect to the graph label. A main challenge in studying GNN explainability is to provide fidelity measures that evaluate the performance of these explanation functions. This paper studies this foundational challenge, spotlighting the inherent limitations of prevailing fidelity metrics, including Fid_+, Fid_-, and Fid_Delta. Specifically, a formal, information-theoretic definition of explainability is introduced and it is shown that existing metrics often fail to align with this definition across various statistical scenarios. The reason is due to potential distribution shifts when subgraphs are removed in computing these fidelity measures. Subsequently, a robust class of fidelity measures are introduced, and it is shown analytically that they are resilient to distribution shift issues and are applicable in a wide range of scenarios. Extensive empirical analysis on both synthetic and real datasets are provided to illustrate that the proposed metrics are more coherent with gold standard metrics. The source code is available at https://trustai4s-lab.github.io/fidelity.

In machine translation, a common problem is that the translation of certain words even if translated can cause incomprehension of the target language audience due to different cultural backgrounds. A solution to solve this problem is to add explanations for these words. In a first step, we therefore need to identify these words or phrases. In this work we explore techniques to extract example explanations from a parallel corpus. However, the sparsity of sentences containing words that need to be explained makes building the training dataset extremely difficult. In this work, we propose a semi-automatic technique to extract these explanations from a large parallel corpus. Experiments on English->German language pair show that our method is able to extract sentence so that more than 10% of the sentences contain explanation, while only 1.9% of the original sentences contain explanations. In addition, experiments on English->French and English->Chinese language pairs also show similar conclusions. This is therefore an essential first automatic step to create a explanation dataset. Furthermore we show that the technique is robust for all three language pairs.

We classify and re-examine some of the current approaches to improve the performance-computes trade-off of language models, including (1) non-causal models (such as masked language models), (2) extension of batch length with efficient attention, (3) recurrence, (4) conditional computation and (5) retrieval. We identify some limitations (1) - (4) suffer from. For example, (1) currently struggles with open-ended text generation with the output loosely constrained by the input as well as performing general textual tasks like GPT-2/3 due to its need for a specific fine-tuning dataset. (2) and (3) do not improve the prediction of the first sim 10^3 tokens. Scaling up a model size (e.g. efficiently with (4)) still results in poor performance scaling for some tasks. We argue (5) would resolve many of these limitations, and it can (a) reduce the amount of supervision and (b) efficiently extend the context over the entire training dataset and the entire past of the current sample. We speculate how to modify MARGE to perform unsupervised causal modeling that achieves (b) with the retriever jointly trained.

An approach to improve neural network interpretability is via clusterability, i.e., splitting a model into disjoint clusters that can be studied independently. We define a measure for clusterability and show that pre-trained models form highly enmeshed clusters via spectral graph clustering. We thus train models to be more modular using a "clusterability loss" function that encourages the formation of non-interacting clusters. Using automated interpretability techniques, we show that our method can help train models that are more modular and learn different, disjoint, and smaller circuits. We investigate CNNs trained on MNIST and CIFAR, small transformers trained on modular addition, and language models. Our approach provides a promising direction for training neural networks that learn simpler functions and are easier to interpret.

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

Network interpretation as an effort to reveal the features learned by a network remains largely visualization-based. In this paper, our goal is to tackle semantic network interpretation at both filter and decision level. For filter-level interpretation, we represent the concepts a filter encodes with a probability distribution of visual attributes. The decision-level interpretation is achieved by textual summarization that generates an explanatory sentence containing clues behind a network's decision. A Bayesian inference algorithm is proposed to automatically associate filters and network decisions with visual attributes. Human study confirms that the semantic interpretation is a beneficial alternative or complement to visualization methods. We demonstrate the crucial role that semantic network interpretation can play in understanding a network's failure patterns. More importantly, semantic network interpretation enables a better understanding of the correlation between a model's performance and its distribution metrics like filter selectivity and concept sparseness.

Machine learning classification problems are widespread in bioinformatics, but the technical knowledge required to perform model training, optimization, and inference can prevent researchers from utilizing this technology. This article presents an automated tool for machine learning classification problems to simplify the process of training models and producing results while providing informative visualizations and insights into the data. This tool supports both binary and multiclass classification problems, and it provides access to a variety of models and methods. Synthetic data can be generated within the interface to fill missing values, balance class labels, or generate entirely new datasets. It also provides support for feature evaluation and generates explainability scores to indicate which features influence the output the most. We present CLASSify, an open-source tool for simplifying the user experience of solving classification problems without the need for knowledge of machine learning.

Fine-tuning continuous prompts for target tasks has recently emerged as a compact alternative to full model fine-tuning. Motivated by these promising results, we investigate the feasibility of extracting a discrete (textual) interpretation of continuous prompts that is faithful to the problem they solve. In practice, we observe a "wayward" behavior between the task solved by continuous prompts and their nearest neighbor discrete projections: We can find continuous prompts that solve a task while being projected to an arbitrary text (e.g., definition of a different or even a contradictory task), while being within a very small (2%) margin of the best continuous prompt of the same size for the task. We provide intuitions behind this odd and surprising behavior, as well as extensive empirical analyses quantifying the effect of various parameters. For instance, for larger model sizes we observe higher waywardness, i.e, we can find prompts that more closely map to any arbitrary text with a smaller drop in accuracy. These findings have important implications relating to the difficulty of faithfully interpreting continuous prompts and their generalization across models and tasks, providing guidance for future progress in prompting language models.

Understanding why a model makes a certain prediction can be as crucial as the prediction's accuracy in many applications. However, the highest accuracy for large modern datasets is often achieved by complex models that even experts struggle to interpret, such as ensemble or deep learning models, creating a tension between accuracy and interpretability. In response, various methods have recently been proposed to help users interpret the predictions of complex models, but it is often unclear how these methods are related and when one method is preferable over another. To address this problem, we present a unified framework for interpreting predictions, SHAP (SHapley Additive exPlanations). SHAP assigns each feature an importance value for a particular prediction. Its novel components include: (1) the identification of a new class of additive feature importance measures, and (2) theoretical results showing there is a unique solution in this class with a set of desirable properties. The new class unifies six existing methods, notable because several recent methods in the class lack the proposed desirable properties. Based on insights from this unification, we present new methods that show improved computational performance and/or better consistency with human intuition than previous approaches.

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

To harness the power of large language models in safety-critical domains we need to ensure the explainability of their predictions. However, despite the significant attention to model interpretability, there remains an unexplored domain in explaining sequence-to-sequence tasks using methods tailored for textual data. This paper introduces SyntaxShap, a local, model-agnostic explainability method for text generation that takes into consideration the syntax in the text data. The presented work extends Shapley values to account for parsing-based syntactic dependencies. Taking a game theoric approach, SyntaxShap only considers coalitions constraint by the dependency tree. We adopt a model-based evaluation to compare SyntaxShap and its weighted form to state-of-the-art explainability methods adapted to text generation tasks, using diverse metrics including faithfulness, complexity, coherency, and semantic alignment of the explanations to the model. We show that our syntax-aware method produces explanations that help build more faithful, coherent, and interpretable explanations for predictions by autoregressive models.

Is explainability a false promise? This debate has emerged from the insufficient evidence that explanations aid people in situations they are introduced for. More human-centered, application-grounded evaluations of explanations are needed to settle this. Yet, with no established guidelines for such studies in NLP, researchers accustomed to standardized proxy evaluations must discover appropriate measurements, tasks, datasets, and sensible models for human-AI teams in their studies. To help with this, we first review fitting existing metrics. We then establish requirements for datasets to be suitable for application-grounded evaluations. Among over 50 datasets available for explainability research in NLP, we find that 4 meet our criteria. By finetuning Flan-T5-3B, we demonstrate the importance of reassessing the state of the art to form and study human-AI teams. Finally, we present the exemplar studies of human-AI decision-making for one of the identified suitable tasks -- verifying the correctness of a legal claim given a contract.

We introduce SummScreen, a summarization dataset comprised of pairs of TV series transcripts and human written recaps. The dataset provides a challenging testbed for abstractive summarization for several reasons. Plot details are often expressed indirectly in character dialogues and may be scattered across the entirety of the transcript. These details must be found and integrated to form the succinct plot descriptions in the recaps. Also, TV scripts contain content that does not directly pertain to the central plot but rather serves to develop characters or provide comic relief. This information is rarely contained in recaps. Since characters are fundamental to TV series, we also propose two entity-centric evaluation metrics. Empirically, we characterize the dataset by evaluating several methods, including neural models and those based on nearest neighbors. An oracle extractive approach outperforms all benchmarked models according to automatic metrics, showing that the neural models are unable to fully exploit the input transcripts. Human evaluation and qualitative analysis reveal that our non-oracle models are competitive with their oracle counterparts in terms of generating faithful plot events and can benefit from better content selectors. Both oracle and non-oracle models generate unfaithful facts, suggesting future research directions.

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

Large language models (LLMs) such as ChatGPT have demonstrated superior performance on a variety of natural language processing (NLP) tasks including sentiment analysis, mathematical reasoning and summarization. Furthermore, since these models are instruction-tuned on human conversations to produce "helpful" responses, they can and often will produce explanations along with the response, which we call self-explanations. For example, when analyzing the sentiment of a movie review, the model may output not only the positivity of the sentiment, but also an explanation (e.g., by listing the sentiment-laden words such as "fantastic" and "memorable" in the review). How good are these automatically generated self-explanations? In this paper, we investigate this question on the task of sentiment analysis and for feature attribution explanation, one of the most commonly studied settings in the interpretability literature (for pre-ChatGPT models). Specifically, we study different ways to elicit the self-explanations, evaluate their faithfulness on a set of evaluation metrics, and compare them to traditional explanation methods such as occlusion or LIME saliency maps. Through an extensive set of experiments, we find that ChatGPT's self-explanations perform on par with traditional ones, but are quite different from them according to various agreement metrics, meanwhile being much cheaper to produce (as they are generated along with the prediction). In addition, we identified several interesting characteristics of them, which prompt us to rethink many current model interpretability practices in the era of ChatGPT(-like) LLMs.

Complex machine learning algorithms are used more and more often in critical tasks involving text data, leading to the development of interpretability methods. Among local methods, two families have emerged: those computing importance scores for each feature and those extracting simple logical rules. In this paper we show that using different methods can lead to unexpectedly different explanations, even when applied to simple models for which we would expect qualitative coincidence. To quantify this effect, we propose a new approach to compare explanations produced by different methods.

In this manuscript, we show that any neural network with any activation function can be represented as a decision tree. The representation is equivalence and not an approximation, thus keeping the accuracy of the neural network exactly as is. We believe that this work provides better understanding of neural networks and paves the way to tackle their black-box nature. We share equivalent trees of some neural networks and show that besides providing interpretability, tree representation can also achieve some computational advantages for small networks. The analysis holds both for fully connected and convolutional networks, which may or may not also include skip connections and/or normalizations.

Tracking progress in machine learning has become increasingly difficult with the recent explosion in the number of papers. In this paper, we present AxCell, an automatic machine learning pipeline for extracting results from papers. AxCell uses several novel components, including a table segmentation subtask, to learn relevant structural knowledge that aids extraction. When compared with existing methods, our approach significantly improves the state of the art for results extraction. We also release a structured, annotated dataset for training models for results extraction, and a dataset for evaluating the performance of models on this task. Lastly, we show the viability of our approach enables it to be used for semi-automated results extraction in production, suggesting our improvements make this task practically viable for the first time. Code is available on GitHub.

Given a natural language statement, how to verify its veracity against a large-scale textual knowledge source like Wikipedia? Most existing neural models make predictions without giving clues about which part of a false claim goes wrong. In this paper, we propose LOREN, an approach for interpretable fact verification. We decompose the verification of the whole claim at phrase-level, where the veracity of the phrases serves as explanations and can be aggregated into the final verdict according to logical rules. The key insight of LOREN is to represent claim phrase veracity as three-valued latent variables, which are regularized by aggregation logical rules. The final claim verification is based on all latent variables. Thus, LOREN enjoys the additional benefit of interpretability -- it is easy to explain how it reaches certain results with claim phrase veracity. Experiments on a public fact verification benchmark show that LOREN is competitive against previous approaches while enjoying the merit of faithful and accurate interpretability. The resources of LOREN are available at: https://github.com/jiangjiechen/LOREN.

In this study, we analyze data-scarce classification scenarios, where available labeled legal data is small and imbalanced, potentially hurting the quality of the results. We focused on two finetuning objectives; SetFit (Sentence Transformer Finetuning), a contrastive learning setup, and a vanilla finetuning setup on a legal provision classification task. Additionally, we compare the features that are extracted with LIME (Local Interpretable Model-agnostic Explanations) to see which particular features contributed to the model's classification decisions. The results show that a contrastive setup with SetFit performed better than vanilla finetuning while using a fraction of the training samples. LIME results show that the contrastive learning approach helps boost both positive and negative features which are legally informative and contribute to the classification results. Thus a model finetuned with a contrastive objective seems to base its decisions more confidently on legally informative features.

Medical applications challenge today's text categorization techniques by demanding both high accuracy and ease-of-interpretation. Although deep learning has provided a leap ahead in accuracy, this leap comes at the sacrifice of interpretability. To address this accuracy-interpretability challenge, we here introduce, for the first time, a text categorization approach that leverages the recently introduced Tsetlin Machine. In all brevity, we represent the terms of a text as propositional variables. From these, we capture categories using simple propositional formulae, such as: if "rash" and "reaction" and "penicillin" then Allergy. The Tsetlin Machine learns these formulae from a labelled text, utilizing conjunctive clauses to represent the particular facets of each category. Indeed, even the absence of terms (negated features) can be used for categorization purposes. Our empirical comparison with Na\"ive Bayes, decision trees, linear support vector machines (SVMs), random forest, long short-term memory (LSTM) neural networks, and other techniques, is quite conclusive. The Tsetlin Machine either performs on par with or outperforms all of the evaluated methods on both the 20 Newsgroups and IMDb datasets, as well as on a non-public clinical dataset. On average, the Tsetlin Machine delivers the best recall and precision scores across the datasets. Finally, our GPU implementation of the Tsetlin Machine executes 5 to 15 times faster than the CPU implementation, depending on the dataset. We thus believe that our novel approach can have a significant impact on a wide range of text analysis applications, forming a promising starting point for deeper natural language understanding with the Tsetlin Machine.

Enhancing the intelligibility and interpretability of machine learning is a crucial task in responding to the demand for Explicability as an AI principle, and in promoting the better social implementation of AI. The aim of our research is to contribute to this improvement by reformulating machine learning models through the lens of category theory, thereby developing a semantic framework for structuring and understanding AI systems. Our categorical modeling in this paper clarifies and formalizes the structural interplay between residuals and parameters in supervised learning. The present paper focuses on the multiple linear regression model, which represents the most basic form of supervised learning. By defining two concrete categories corresponding to parameters and data, along with an adjoint pair of functors between them, we introduce our categorical formulation of supervised learning. We show that the essential structure of this framework is captured by what we call the Gauss-Markov Adjunction. Within this setting, the dual flow of information can be explicitly described as a correspondence between variations in parameters and residuals. The ordinary least squares estimator for the parameters and the minimum residual are related via the preservation of limits by the right adjoint functor. Furthermore, we position this formulation as an instance of extended denotational semantics for supervised learning, and propose applying a semantic perspective developed in theoretical computer science as a formal foundation for Explicability in AI.

We present Backpacks: a new neural architecture that marries strong modeling performance with an interface for interpretability and control. Backpacks learn multiple non-contextual sense vectors for each word in a vocabulary, and represent a word in a sequence as a context-dependent, non-negative linear combination of sense vectors in this sequence. We find that, after training, sense vectors specialize, each encoding a different aspect of a word. We can interpret a sense vector by inspecting its (non-contextual, linear) projection onto the output space, and intervene on these interpretable hooks to change the model's behavior in predictable ways. We train a 170M-parameter Backpack language model on OpenWebText, matching the loss of a GPT-2 small (124Mparameter) Transformer. On lexical similarity evaluations, we find that Backpack sense vectors outperform even a 6B-parameter Transformer LM's word embeddings. Finally, we present simple algorithms that intervene on sense vectors to perform controllable text generation and debiasing. For example, we can edit the sense vocabulary to tend more towards a topic, or localize a source of gender bias to a sense vector and globally suppress that sense.

Sparse dictionary learning has been a rapidly growing technique in mechanistic interpretability to attack superposition and extract more human-understandable features from model activations. We ask a further question based on the extracted more monosemantic features: How do we recognize circuits connecting the enormous amount of dictionary features? We propose a circuit discovery framework alternative to activation patching. Our framework suffers less from out-of-distribution and proves to be more efficient in terms of asymptotic complexity. The basic unit in our framework is dictionary features decomposed from all modules writing to the residual stream, including embedding, attention output and MLP output. Starting from any logit, dictionary feature or attention score, we manage to trace down to lower-level dictionary features of all tokens and compute their contribution to these more interpretable and local model behaviors. We dig in a small transformer trained on a synthetic task named Othello and find a number of human-understandable fine-grained circuits inside of it.

Given the success of Large Language Models (LLMs), there has been considerable interest in studying the properties of model activations. The literature overwhelmingly agrees that LLM representations are dominated by a few ``outlier dimensions'' with exceedingly high variance and magnitude. Several studies in Natural Language Processing (NLP) have sought to mitigate the impact of such outlier dimensions and force LLMs to be isotropic (i.e., have uniform variance across all dimensions in embedding space). Isotropy is thought to be a desirable property for LLMs that improves model performance and more closely aligns textual representations with human intuition. However, many of the claims regarding isotropy in NLP have been based on the average cosine similarity of embeddings, which has recently been shown to be a flawed measure of isotropy. In this paper, we propose I-STAR: IsoScore*-based STable Anisotropic Regularization, a novel regularization method that can be used to increase or decrease levels of isotropy in embedding space during training. I-STAR uses IsoScore*, the first accurate measure of isotropy that is both differentiable and stable on mini-batch computations. In contrast to several previous works, we find that decreasing isotropy in contextualized embeddings improves performance on the majority of tasks and models considered in this paper.

Most interpretability research in NLP focuses on understanding the behavior and features of a fully trained model. However, certain insights into model behavior may only be accessible by observing the trajectory of the training process. We present a case study of syntax acquisition in masked language models (MLMs) that demonstrates how analyzing the evolution of interpretable artifacts throughout training deepens our understanding of emergent behavior. In particular, we study Syntactic Attention Structure (SAS), a naturally emerging property of MLMs wherein specific Transformer heads tend to focus on specific syntactic relations. We identify a brief window in pretraining when models abruptly acquire SAS, concurrent with a steep drop in loss. This breakthrough precipitates the subsequent acquisition of linguistic capabilities. We then examine the causal role of SAS by manipulating SAS during training, and demonstrate that SAS is necessary for the development of grammatical capabilities. We further find that SAS competes with other beneficial traits during training, and that briefly suppressing SAS improves model quality. These findings offer an interpretation of a real-world example of both simplicity bias and breakthrough training dynamics.

Distributed representations of words encode lexical semantic information, but what type of information is encoded and how? Focusing on the skip-gram with negative-sampling method, we found that the squared norm of static word embedding encodes the information gain conveyed by the word; the information gain is defined by the Kullback-Leibler divergence of the co-occurrence distribution of the word to the unigram distribution. Our findings are explained by the theoretical framework of the exponential family of probability distributions and confirmed through precise experiments that remove spurious correlations arising from word frequency. This theory also extends to contextualized word embeddings in language models or any neural networks with the softmax output layer. We also demonstrate that both the KL divergence and the squared norm of embedding provide a useful metric of the informativeness of a word in tasks such as keyword extraction, proper-noun discrimination, and hypernym discrimination.

The purported "black box" nature of neural networks is a barrier to adoption in applications where interpretability is essential. Here we present DeepLIFT (Deep Learning Important FeaTures), a method for decomposing the output prediction of a neural network on a specific input by backpropagating the contributions of all neurons in the network to every feature of the input. DeepLIFT compares the activation of each neuron to its 'reference activation' and assigns contribution scores according to the difference. By optionally giving separate consideration to positive and negative contributions, DeepLIFT can also reveal dependencies which are missed by other approaches. Scores can be computed efficiently in a single backward pass. We apply DeepLIFT to models trained on MNIST and simulated genomic data, and show significant advantages over gradient-based methods. Video tutorial: http://goo.gl/qKb7pL, ICML slides: bit.ly/deeplifticmlslides, ICML talk: https://vimeo.com/238275076, code: http://goo.gl/RM8jvH.

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

Large language models follow a lineage of many NLP applications that were directly inspired by distributional semantics, but do not seem to be closely related to it anymore. In this paper, we propose to employ the distributional theory of meaning once again. Using Independent Component Analysis to overcome some of its challenging aspects, we show that large language models represent semantic features in their hidden states.

Explainable recommendation systems are important to enhance transparency, accuracy, and fairness. Beyond result-level explanations, model-level interpretations can provide valuable insights that allow developers to optimize system designs and implement targeted improvements. However, most current approaches depend on specialized model designs, which often lack generalization capabilities. Given the various kinds of recommendation models, existing methods have limited ability to effectively interpret them. To address this issue, we propose RecSAE, an automatic, generalizable probing method for interpreting the internal states of Recommendation models with Sparse AutoEncoder. RecSAE serves as a plug-in module that does not affect original models during interpretations, while also enabling predictable modifications to their behaviors based on interpretation results. Firstly, we train an autoencoder with sparsity constraints to reconstruct internal activations of recommendation models, making the RecSAE latents more interpretable and monosemantic than the original neuron activations. Secondly, we automated the construction of concept dictionaries based on the relationship between latent activations and input item sequences. Thirdly, RecSAE validates these interpretations by predicting latent activations on new item sequences using the concept dictionary and deriving interpretation confidence scores from precision and recall. We demonstrate RecSAE's effectiveness on two datasets, identifying hundreds of highly interpretable concepts from pure ID-based models. Latent ablation studies further confirm that manipulating latent concepts produces corresponding changes in model output behavior, underscoring RecSAE's utility for both understanding and targeted tuning recommendation models. Code and data are publicly available at https://github.com/Alice1998/RecSAE.

We propose a method for unsupervised abstractive opinion summarization, that combines the attributability and scalability of extractive approaches with the coherence and fluency of Large Language Models (LLMs). Our method, HIRO, learns an index structure that maps sentences to a path through a semantically organized discrete hierarchy. At inference time, we populate the index and use it to identify and retrieve clusters of sentences containing popular opinions from input reviews. Then, we use a pretrained LLM to generate a readable summary that is grounded in these extracted evidential clusters. The modularity of our approach allows us to evaluate its efficacy at each stage. We show that HIRO learns an encoding space that is more semantically structured than prior work, and generates summaries that are more representative of the opinions in the input reviews. Human evaluation confirms that HIRO generates more coherent, detailed and accurate summaries that are significantly preferred by annotators compared to prior work.

Deep Neural Networks have achieved huge success at a wide spectrum of applications from language modeling, computer vision to speech recognition. However, nowadays, good performance alone is not sufficient to satisfy the needs of practical deployment where interpretability is demanded for cases involving ethics and mission critical applications. The complex models of Deep Neural Networks make it hard to understand and reason the predictions, which hinders its further progress. To tackle this problem, we apply the Knowledge Distillation technique to distill Deep Neural Networks into decision trees in order to attain good performance and interpretability simultaneously. We formulate the problem at hand as a multi-output regression problem and the experiments demonstrate that the student model achieves significantly better accuracy performance (about 1\% to 5\%) than vanilla decision trees at the same level of tree depth. The experiments are implemented on the TensorFlow platform to make it scalable to big datasets. To the best of our knowledge, we are the first to distill Deep Neural Networks into vanilla decision trees on multi-class datasets.

Scientific literature understanding is crucial for extracting targeted information and garnering insights, thereby significantly advancing scientific discovery. Despite the remarkable success of Large Language Models (LLMs), they face challenges in scientific literature understanding, primarily due to (1) a lack of scientific knowledge and (2) unfamiliarity with specialized scientific tasks. To develop an LLM specialized in scientific literature understanding, we propose a hybrid strategy that integrates continual pre-training (CPT) and supervised fine-tuning (SFT), to simultaneously infuse scientific domain knowledge and enhance instruction-following capabilities for domain-specific tasks.cIn this process, we identify two key challenges: (1) constructing high-quality CPT corpora, and (2) generating diverse SFT instructions. We address these challenges through a meticulous pipeline, including PDF text extraction, parsing content error correction, quality filtering, and synthetic instruction creation. Applying this strategy, we present a suite of LLMs: SciLitLLM, specialized in scientific literature understanding. These models demonstrate promising performance on scientific literature understanding benchmarks. Our contributions are threefold: (1) We present an effective framework that integrates CPT and SFT to adapt LLMs to scientific literature understanding, which can also be easily adapted to other domains. (2) We propose an LLM-based synthesis method to generate diverse and high-quality scientific instructions, resulting in a new instruction set -- SciLitIns -- for supervised fine-tuning in less-represented scientific domains. (3) SciLitLLM achieves promising performance improvements on scientific literature understanding benchmarks.

Generating explanations for neural networks has become crucial for their applications in real-world with respect to reliability and trustworthiness. In natural language processing, existing methods usually provide important features which are words or phrases selected from an input text as an explanation, but ignore the interactions between them. It poses challenges for humans to interpret an explanation and connect it to model prediction. In this work, we build hierarchical explanations by detecting feature interactions. Such explanations visualize how words and phrases are combined at different levels of the hierarchy, which can help users understand the decision-making of black-box models. The proposed method is evaluated with three neural text classifiers (LSTM, CNN, and BERT) on two benchmark datasets, via both automatic and human evaluations. Experiments show the effectiveness of the proposed method in providing explanations that are both faithful to models and interpretable to humans.

Text editing is a crucial task that involves modifying text to better align with user intents. However, existing text editing benchmark datasets have limitations in providing only coarse-grained instructions. Consequently, although the edited output may seem reasonable, it often deviates from the intended changes outlined in the gold reference, resulting in low evaluation scores. To comprehensively investigate the text editing capabilities of large language models, this paper introduces XATU, the first benchmark specifically designed for fine-grained instruction-based explainable text editing. XATU covers a wide range of topics and text types, incorporating lexical, syntactic, semantic, and knowledge-intensive edits. To enhance interpretability, we leverage high-quality data sources and human annotation, resulting in a benchmark that includes fine-grained instructions and gold-standard edit explanations. By evaluating existing open and closed large language models against our benchmark, we demonstrate the effectiveness of instruction tuning and the impact of underlying architecture across various editing tasks. Furthermore, extensive experimentation reveals the significant role of explanations in fine-tuning language models for text editing tasks. The benchmark will be open-sourced to support reproduction and facilitate future research.

In this paper, we introduce **harmonic loss** as an alternative to the standard cross-entropy loss for training neural networks and large language models (LLMs). Harmonic loss enables improved interpretability and faster convergence, owing to its scale invariance and finite convergence point by design, which can be interpreted as a class center. We first validate the performance of harmonic models across algorithmic, vision, and language datasets. Through extensive experiments, we demonstrate that models trained with harmonic loss outperform standard models by: (a) enhancing interpretability, (b) requiring less data for generalization, and (c) reducing grokking. Moreover, we compare a GPT-2 model trained with harmonic loss to the standard GPT-2, illustrating that the harmonic model develops more interpretable representations. Looking forward, we believe harmonic loss has the potential to become a valuable tool in domains with limited data availability or in high-stakes applications where interpretability and reliability are paramount, paving the way for more robust and efficient neural network models.

We take the first step to address the task of automatically generating shellcodes, i.e., small pieces of code used as a payload in the exploitation of a software vulnerability, starting from natural language comments. We assemble and release a novel dataset (Shellcode_IA32), consisting of challenging but common assembly instructions with their natural language descriptions. We experiment with standard methods in neural machine translation (NMT) to establish baseline performance levels on this task.

We discover a robust self-supervised strategy tailored towards molecular representations for generative masked language models through a series of tailored, in-depth ablations. Using this pre-training strategy, we train BARTSmiles, a BART-like model with an order of magnitude more compute than previous self-supervised molecular representations. In-depth evaluations show that BARTSmiles consistently outperforms other self-supervised representations across classification, regression, and generation tasks setting a new state-of-the-art on 11 tasks. We then quantitatively show that when applied to the molecular domain, the BART objective learns representations that implicitly encode our downstream tasks of interest. For example, by selecting seven neurons from a frozen BARTSmiles, we can obtain a model having performance within two percentage points of the full fine-tuned model on task Clintox. Lastly, we show that standard attribution interpretability methods, when applied to BARTSmiles, highlight certain substructures that chemists use to explain specific properties of molecules. The code and the pretrained model are publicly available.

The recent success of distributed word representations has led to an increased interest in analyzing the properties of their spatial distribution. Several studies have suggested that contextualized word embedding models do not isotropically project tokens into vector space. However, current methods designed to measure isotropy, such as average random cosine similarity and the partition score, have not been thoroughly analyzed and are not appropriate for measuring isotropy. We propose IsoScore: a novel tool that quantifies the degree to which a point cloud uniformly utilizes the ambient vector space. Using rigorously designed tests, we demonstrate that IsoScore is the only tool available in the literature that accurately measures how uniformly distributed variance is across dimensions in vector space. Additionally, we use IsoScore to challenge a number of recent conclusions in the NLP literature that have been derived using brittle metrics of isotropy. We caution future studies from using existing tools to measure isotropy in contextualized embedding space as resulting conclusions will be misleading or altogether inaccurate.

Certain statistical models are capable of interpreting input strings as instructions, or prompts, and carry out tasks based on them. Many approaches to prompting and pre-training these models involve the automated generation of these prompts. We call these approaches meta-prompting, or prompting to obtain prompts. We propose a theoretical framework based on category theory to generalize and describe them. This framework is flexible enough to account for LLM stochasticity; and allows us to obtain formal results around task agnosticity and equivalence of various meta-prompting approaches. We experiment with meta-prompting in two active areas of model research: creativity and ideation. We find that user preference favors (p < 0.01) the prompts generated under meta-prompting, as well as their corresponding outputs, over a series of hardcoded baseline prompts that include the original task prompt. Using our framework, we argue that meta-prompting is more effective than basic prompting at generating desirable outputs.

In this paper, we propose LEURN: a neural network architecture that learns univariate decision rules. LEURN is a white-box algorithm that results into univariate trees and makes explainable decisions in every stage. In each layer, LEURN finds a set of univariate rules based on an embedding of the previously checked rules and their corresponding responses. Both rule finding and final decision mechanisms are weighted linear combinations of these embeddings, hence contribution of all rules are clearly formulated and explainable. LEURN can select features, extract feature importance, provide semantic similarity between a pair of samples, be used in a generative manner and can give a confidence score. Thanks to a smoothness parameter, LEURN can also controllably behave like decision trees or vanilla neural networks. Besides these advantages, LEURN achieves comparable performance to state-of-the-art methods across 30 tabular datasets for classification and regression problems.

Representation learning on text-attributed graphs (TAGs) has become a critical research problem in recent years. A typical example of a TAG is a paper citation graph, where the text of each paper serves as node attributes. Initial graph neural network (GNN) pipelines handled these text attributes by transforming them into shallow or hand-crafted features, such as skip-gram or bag-of-words features. Recent efforts have focused on enhancing these pipelines with language models (LMs), which typically demand intricate designs and substantial computational resources. With the advent of powerful large language models (LLMs) such as GPT or Llama2, which demonstrate an ability to reason and to utilize general knowledge, there is a growing need for techniques which combine the textual modelling abilities of LLMs with the structural learning capabilities of GNNs. Hence, in this work, we focus on leveraging LLMs to capture textual information as features, which can be used to boost GNN performance on downstream tasks. A key innovation is our use of explanations as features: we prompt an LLM to perform zero-shot classification, request textual explanations for its decision-making process, and design an LLM-to-LM interpreter to translate these explanations into informative features for downstream GNNs. Our experiments demonstrate that our method achieves state-of-the-art results on well-established TAG datasets, including Cora, PubMed, ogbn-arxiv, as well as our newly introduced dataset, tape-arxiv23. Furthermore, our method significantly speeds up training, achieving a 2.88 times improvement over the closest baseline on ogbn-arxiv. Lastly, we believe the versatility of the proposed method extends beyond TAGs and holds the potential to enhance other tasks involving graph-text data. Our codes and datasets are available at: https://github.com/XiaoxinHe/TAPE.