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Social Aspects · Accountability, Transparency, and Interpretability

Mateo Espinosa Zarlenga, Gabriele Dominici, Pietro Barbiero, Zohreh Shams, Mateja Jamnik

In this paper, we investigate how concept-based models (CMs) respond to out-of-distribution (OOD) inputs. CMs are interpretable neural architectures that first predict a set of high-level *concepts* (e.g., "stripes", "black") and then predict a task label from those concepts. In particular, we study the impact of *concept interventions* (i.e., operations where a human expert corrects a CM’s mispredicted concepts at test time) on CMs' task predictions when inputs are OOD. Our analysis reveals a weakness in current state-of-the-art CMs, which we term *leakage poisoning*, that prevents them from properly improving their accuracy when intervened on for OOD inputs. To address this, we introduce *MixCEM*, a new CM that learns to dynamically exploit leaked information missing from its concepts only when this information is in-distribution. Our results across tasks with and without complete sets of concept annotations demonstrate that MixCEMs outperform strong baselines by significantly improving their accuracy for both in-distribution and OOD samples in the presence and absence of concept interventions.

Applications · Health / Medicine

Yanchao Tan, Hang Lv, Yunfei Zhan, Guofang Ma, Bo Xiong, Carl Yang

Language Models (LMs) have advanced diagnosis prediction by leveraging the semantic understanding of medical concepts in Electronic Health Records (EHRs). Despite these advancements, existing LM-based methods often fail to capture the structures of medical concepts (e.g., hierarchy structure from domain knowledge). In this paper, we propose BoxLM, a novel framework that unifies the structures and semantics of medical concepts for diagnosis prediction. Specifically, we propose a structure-semantic fusion mechanism via box embeddings, which integrates both ontology-driven and EHR-driven hierarchical structures with LM-based semantic embeddings, enabling interpretable medical concept representations.Furthermore, in the box-aware diagnosis prediction module, an evolve-and-memorize patient box learning mechanism is proposed to model the temporal dynamics of patient visits, and a volume-based similarity measurement is proposed to enable accurate diagnosis prediction. Extensive experiments demonstrate that BoxLM consistently outperforms state-of-the-art baselines, especially achieving strong performance in few-shot learning scenarios, showcasing its practical utility in real-world clinical settings.

Deep Learning · Everything Else

Tianze Yang, Yucheng Shi, Mengnan Du, Xuansheng Wu, Qiaoyu Tan, Jin Sun, Ninghao Liu

Vector-Quantized Generative Models (VQGMs) have emerged as powerful tools for image generation. However, the key component of VQGMs---the codebook of discrete tokens---is still not well understood, e.g., which tokens are critical to generate an image of a certain concept?This paper introduces Concept-Oriented Token Explanation (CORTEX), a novel approach for interpreting VQGMs by identifying concept-specific token combinations. Our framework employs two methods: (1) a sample-level explanation method that analyzes token importance scores in individual images, and (2) a codebook-level explanation method that explores the entire codebook to find globally relevant tokens. Experimental results demonstrate CORTEX's efficacy in providing clear explanations of token usage in the generative process, outperforming baselines across multiple pretrained VQGMs. Besides enhancing VQGMs transparency, CORTEX is useful in applications such as targeted image editing and shortcut feature detection. Our code is available at https://github.com/YangTianze009/CORTEX.

Social Aspects · Accountability, Transparency, and Interpretability

Tuomas Oikarinen, Ge Yan, Lily Weng

Understanding the function of individual units in a neural network is an important building block for mechanistic interpretability. This is often done by generating a simple text explanation of the behavior of individual neurons or units. For these explanations to be useful, we must understand how reliable and truthful they are. In this work we unify many existing explanation evaluation methods under one mathematical framework. This allows us to compare and contrast existing evaluation metrics, understand the evaluation pipeline with increased clarity and apply existing statistical concepts on the evaluation. In addition, we propose two simple sanity checks on the evaluation metrics and show that many commonly used metrics fail these tests and do not change their score after massive changes to the concept labels. Based on our experimental and theoretical results, we propose guidelines that future evaluations should follow and identify a set of reliable evaluationmetrics.

Social Aspects · Accountability, Transparency, and Interpretability

Nils Palumbo, Ravi Mangal, Zifan Wang, Saranya Vijayakumar, Corina Pasareanu, Somesh Jha

Mechanistic interpretability aims to reverse engineer the computation performed by a neural network in terms of its internal components. Although there is a growing body of research on mechanistic interpretation of neural networks, the notion of a *mechanistic interpretation* itself is often ad-hoc. Inspired by the notion of abstract interpretation from the program analysis literature that aims to develop approximate semantics for programs, we give a set of axioms that formally characterize a mechanistic interpretation as a description that approximately captures the semantics of the neural network under analysis in a compositional manner. We demonstrate the applicability of these axioms for validating mechanistic interpretations on an existing, well-known interpretability study as well as on a new case study involving a Transformer-based model trained to solve the well-known 2-SAT problem.

Deep Learning · Theory

Mason Kamb, Surya Ganguli

We obtain an analytic, interpretable and predictive theory of creativity in convolutional diffusion models. Indeed, score-matching diffusion models can generate highly original images that lie far from their training data. However, optimal score-matching theory suggests that these models should only be able to produce memorized training examples. To reconcile this theory-experiment gap, we identify two simple inductive biases, locality and equivariance, that: (1) induce a form of combinatorial creativity by preventing optimal score-matching; (2) result in fully analytic, completely mechanistically interpretable, local score (LS) and equivariant local score (ELS) machines that, (3) after calibrating a single time-dependent hyperparameter can quantitatively predict the outputs of trained convolution only diffusion models (like ResNets and UNets) with high accuracy (median $r^2$ of $0.95, 0.94, 0.94, 0.96$ for our top model on CIFAR10, FashionMNIST, MNIST, and CelebA). Our model reveals a {\it locally consistent patch mosaic} mechanism of creativity, in which diffusion models create exponentially many novel images by mixing and matching different local training set patches at different scales and image locations. Our theory also partially predicts the outputs of pre-trained self-attention enabled UNets (median $r^2 \sim 0.77$ on CIFAR10), revealing an intriguing role for attention in carving out semantic coherence from local patch mosaics.

Reinforcement Learning · Online

Mehrdad Moghimi, Hyejin Ku

In domains such as finance, healthcare, and robotics, managing worst-case scenarios is critical, as failure to do so can lead to catastrophic outcomes. Distributional Reinforcement Learning (DRL) provides a natural framework to incorporate risk sensitivity into decision-making processes. However, existing approaches face two key limitations: (1) the use of fixed risk measures at each decision step often results in overly conservative policies, and (2) the interpretation and theoretical properties of the learned policies remain unclear. While optimizing a static risk measure addresses these issues, its use in the DRL framework has been limited to the simple static CVaR risk measure. In this paper, we present a novel DRL algorithm with convergence guarantees that optimizes for a broader class of static Spectral Risk Measures (SRM). Additionally, we provide a clear interpretation of the learned policy by leveraging the distribution of returns in DRL and the decomposition of static coherent risk measures. Extensive experiments demonstrate that our model learns policies aligned with the SRM objective, and outperforms existing risk-neutral and risk-sensitive DRL models in various settings.

Social Aspects · Accountability, Transparency, and Interpretability

Gabriel Kasmi, Amandine Brunetto, Thomas Fel, Jayneel Parekh

Feature attribution methods aim to improve the transparency of deep neural networks by identifying the input features that influence a model's decision. Pixel-based heatmaps have become the standard for attributing features to high-dimensional inputs, such as images, audio representations, and volumes. While intuitive and convenient, these pixel-based attributions fail to capture the underlying structure of the data. Moreover, the choice of domain for computing attributions has often been overlooked. This work demonstrates that the wavelet domain allows for informative and meaningful attributions. It handles any input dimension and offers a unified approach to feature attribution. Our method, the **W**avelet **A**ttribution **M**ethod (WAM), leverages the spatial and scale-localized properties of wavelet coefficients to provide explanations that capture both the *where* and *what* of a model's decision-making process. We show that WAM quantitatively matches or outperforms existing gradient-based methods across multiple modalities, including audio, images, and volumes. Additionally, we discuss how WAM bridges attribution with broader aspects of model robustness and transparency. Project page: https://gabrielkasmi.github.io/wam/

Deep Learning · Large Language Models

Cheryl Li, Tianyuan Xu, Yiwen Guo

Chain-of-Thought (CoT) prompting has shown promise in enhancing the reasoning capabilities of large language models (LLMs) by generating natural language (NL) rationales that lead to the final answer. However, it struggles with numerical computation, which has somehow led to the development of program-aided techniques.Despite their potential, a persistent challenge remains: inconsistencies between LLM-reported reasoning steps and the logic in generated programs, which we term ``reasoning hallucinations." This stems from the inherent ambiguities of NL and the statistical nature of LLMs, which often lack rigorous logical coherence.To address this challenge, we propose a novel test-time scaling framework, Reasoning-as-Logic-Units (RaLU), which constructs a more reliable reasoning path by aligning logical units between the generated program and their corresponding NL descriptions.By decomposing the initially generated program into discrete units using static analysis, RaLU engages in an iterative dialogue with the LLM to judge, refine, and explain each unit.A rewind-and-correct mechanism ensures alignment between code statements and task requirements in each unit, ultimately forming a cohesive reasoning path under the program's logic, from which the model reaches a final solution.Our experiments demonstrate that RaLU significantly outperforms existing baselines in mathematical reasoning (GSM8K, MATH) and algorithmic reasoning (HumanEval+, MBPP+), underscoring its potential to advance LLM reasoning and programming by offering enhanced accuracy and interpretability.

Social Aspects · Accountability, Transparency, and Interpretability

Yinhan He, Wendy Zheng, Yushun Dong, Yaochen Zhu, Chen Chen, Jundong Li

Mechanistic interpretability (MI) research aims to understand large language models (LLMs) by identifying computational circuits, subgraphs of model components with associated functional interpretations, that explain specific behaviors. Current MI approaches focus on discovering task-specific circuits, which has two key limitations: (1) poor generalizability across different language tasks, and (2) high costs associated with requiring human or advanced LLM interpretation of each computational node. To address these challenges, we propose developing a ``modular circuit (MC) vocabulary'' consisting of task-agnostic functional units. Each unit consists of a small computational subgraph with its interpretation. This approach enables global interpretability by allowing different language tasks to share common MCs, while reducing costs by reusing established interpretations for new tasks. We establish five criteria for characterizing the MC vocabulary and present ModCirc, a novel global-level mechanistic interpretability framework for discovering MC vocabularies in LLMs. We demonstrate ModCirc's effectiveness by showing that it can identify modular circuits that perform well on various metrics.

General Machine Learning · Evaluation

Menglin Xia, Victor Ruehle, Saravanakumar Rajmohan, Reza Shokri

How effectively can LLM-based AI assistants utilize their memory (context) to perform various tasks? Traditional data benchmarks, which are often manually crafted, suffer from several limitations: they are static, susceptible to overfitting, difficult to interpret, and lack actionable insights--failing to pinpoint the specific capabilities a model lacks when it does not pass a test. In this paper, we present a framework for automatically generating a comprehensive set of tests to evaluate models' abilities to use their memory effectively. Our framework extends the range of capability tests beyond the commonly explored (passkey, key-value, needle in the haystack) search, a dominant focus in the literature. Specifically, we evaluate models on atomic tasks such as searching, recalling, editing, matching, comparing information in context memory, performing basic operations when inputs are structured into distinct blocks, and maintaining state while operating on memory, simulating real-world data. Additionally, we design composite tests to investigate the models' ability to perform more complex, integrated tasks. Our benchmark enables an interpretable, detailed assessment of memory capabilities of LLMs.

Applications

Saurabh Jha, Rohan Arora, Yuji Watanabe, Takumi Yanagawa, Yinfang Chen, Jackson Clark, Bhavya Bhavya, Mudit Verma, Harshit Kumar, Hirokuni Kitahara 等

Realizing the vision of using AI agents to automate critical IT tasks depends on the ability to measure and understand effectiveness of proposed solutions. We introduce ITBench, a framework that offers a systematic methodology for benchmarking AI agents to address real-world IT automation tasks. Our initial release targets three key areas: Site Reliability Engineering (SRE), Compliance and Security Operations (CISO), and Financial Operations (FinOps). The design enables AI researchers to understand the challenges and opportunities of AI agents for IT automation with push-button workflows and interpretable metrics. IT-Bench includes an initial set of 102 real-world scenarios, which can be easily extended by community contributions. Our results show that agents powered by state-of-the-art models resolve only 11.4% of SRE scenarios, 25.2% of CISO scenarios, and 25.8% of FinOps scenarios (excluding anomaly detection). For FinOps-specific anomaly detection (AD) scenarios, AI agents achieve an F1 score of 0.35. We expect ITBench to be a key enabler of AI-driven IT automation that is correct, safe, and fast. IT-Bench, along with a leaderboard and sample agent implementations, is available at https://github.com/ibm/itbench.

Theory · Optimization

Juha Harviainen, Frank Sommer, Manuel Sorge, Stefan Szeider

We present a comprehensive classical and parameterized complexity analysis of decision tree pruning operations, extending recent research on the complexity of learning small decision trees. Thereby, we offer new insights into the computational challenges of decision tree simplification, a crucial aspect of developing interpretable and efficient machine learning models. We focus on fundamental pruning operations of subtree replacement and raising, which are used in heuristics. Surprisingly, while optimal pruning can be performed in polynomial time for subtree replacement, the problem is NP-complete for subtree raising. Therefore, we identify parameters and combinations thereof that lead to fixed-parameter tractability or hardness, establishing a precise borderline between these complexity classes. For example, while subtree raising is hard for small domain size $D$ or number $d$ of features, it can be solved in $D^{2d} \cdot |I|^{O(1)}$ time, where $|I|$ is the input size. We complement our theoretical findings with preliminary experimental results, demonstrating the practical implications of our analysis.

Deep Learning · Graph Neural Networks

Yu He, Ellen Vitercik

Neural Algorithmic Reasoning (NAR) trains neural networks to simulate classical algorithms, enabling structured and interpretable reasoning over complex data. While prior research has predominantly focused on learning exact algorithms for polynomial-time-solvable problems, extending NAR to harder problems remains an open challenge. In this work, we introduce a general NAR framework grounded in the primal-dual paradigm, a classical method for designing efficient approximation algorithms. By leveraging a bipartite representation between primal and dual variables, we establish an alignment between primal-dual algorithms and Graph Neural Networks. Furthermore, we incorporate optimal solutions from small instances to greatly enhance the model’s reasoning capabilities. Our empirical results demonstrate that our model not only simulates but also outperforms approximation algorithms for multiple tasks, exhibiting robust generalization to larger and out-of-distribution graphs. Moreover, we highlight the framework’s practical utility by integrating it with commercial solvers and applying it to real-world datasets.

Applications · Health / Medicine

Ihab Bendidi, Yassir El Mesbahi, Alisandra Denton, Karush Suri, Kian Kenyon-Dean, Auguste Genovesio, Emmanuel Noutahi

Understanding cellular responses to stimuli is crucial for biological discovery and drug development. Transcriptomics provides interpretable, gene-level insights, while microscopy imaging offers rich predictive features but is harder to interpret. Weakly paired datasets, where samples share biological states, enable multimodal learning but are scarce, limiting their utility for training and multimodal inference. We propose a framework to enhance transcriptomics by distilling knowledge from microscopy images. Using weakly paired data, our method aligns and binds modalities, enriching gene expression representations with morphological information. To address data scarcity, we introduce (1) *Semi-Clipped*, an adaptation of CLIP for cross-modal distillation using pretrained foundation models, achieving state-of-the-art results, and (2) *PEA* (**P**erturbation **E**mbedding **A**ugmentation), a novel augmentation technique that enhances transcriptomics data while preserving inherent biological information. These strategies improve the predictive power and retain the interpretability of transcriptomics, enabling rich unimodal representations for complex biological tasks.

Social Aspects · Accountability, Transparency, and Interpretability

Thibaud Gloaguen, Nikola Jovanović, Robin Staab, Martin Vechev

LLM watermarks stand out as a promising way to attribute ownership of LLM-generated text. One threat to watermark credibility comes from spoofing attacks, where an unauthorized third party forges the watermark, enabling it to falsely attribute arbitrary texts to a particular LLM. Despite recent work demonstrating that state-of-the-art schemes are, in fact, vulnerable to spoofing, no prior work has focused on post-hoc methods to discover spoofing attempts. In this work, we for the first time propose a reliable statistical method to distinguish spoofed from genuinely watermarked text, suggesting that current spoofing attacks are less effective than previously thought. In particular, we show that regardless of their underlying approach, all current learning-based spoofing methods consistently leave observable artifacts in spoofed texts, indicative of watermark forgery. We build upon these findings to propose rigorous statistical tests that reliably reveal the presence of such artifacts and thus demonstrate that a watermark has been spoofed. Our experimental evaluation shows high test power across all learning-based spoofing methods, providing insights into their fundamental limitations and suggesting a way to mitigate this threat.

Social Aspects · Accountability, Transparency, and Interpretability

An Vo, Mohammad Reza Taesiri, Daeyoung Kim, Anh Nguyen

Large language models (LLMs) often exhibit strong biases, e.g, against women or in favor of the number 7. We investigate whether LLMs would be able to output less biased answers when allowed to observe their prior answers to the same question in a multi-turn conversation. To understand which types of questions invite more biased answers, we test LLMs on our proposed set of questions that span 9 topics and belong to three types: (1) Subjective; (2) Random; and (3) Objective. Interestingly, LLMs are able to "de-bias" themselves in a multi-turn conversation in response to questions that seek a Random, unbiased answer. Furthermore, we propose B-score, a novel metric that is effective in detecting biases in Subjective, Random, Easy, and Hard questions. On MMLU, HLE, and CSQA, leveraging B-score substantially improves the verification accuracy of LLM answers (i.e, accepting LLM correct answers and rejecting incorrect ones) compared to using verbalized confidence scores or the frequency of single-turn answers alone. Code and data are available at: b-score.github.io.

Social Aspects · Accountability, Transparency, and Interpretability

Xinhao Zheng, Huiqi Deng, Quanshi Zhang

This paper focuses on the fundamental challenge of partitioning input variables in attribution methods for Explainable AI, particularly in Shapley value-based approaches. Previous methods always compute attributions given a predefined partition but lack theoretical guidance on how to form meaningful variable partitions. We identify that attribution conflicts arise when the attribution of a coalition differs from the sum of its individual variables' attributions. To address this, we analyze the numerical effects of AND-OR interactions in AI models and extend the Shapley value to a new attribution metric for variable coalitions. Our theoretical findings reveal that specific interactions cause attribution conflicts, and we propose three metrics to evaluate coalition faithfulness. Experiments on synthetic data, NLP, image classification, and the game of Go validate our approach, demonstrating consistency with human intuition and practical applicability.

Social Aspects · Safety

Xun Wang, Jing Xu, Franziska Boenisch, Michael Backes, Christopher A. Choquette Choo, Adam Dziedzic

Prompting has become a dominant paradigm for adapting large language models (LLMs).While discrete (textual) prompts are widely used for their interpretability, soft (parameter) prompts have recently gained traction in APIs. This is because they can encode information from more training samples while minimizing the user's token usage, leaving more space in the context window for task-specific input. However, soft prompts are tightly coupled to the LLM they are tuned on, limiting their generalization to other LLMs. This constraint is particularly problematic for *efficiency* and *privacy*: (1) tuning prompts on each LLM incurs high computational costs, especially as LLMs continue to grow in size. Additionally, (2) when the LLM is hosted externally, soft prompt tuning often requires sharing private data with the LLM provider. For instance, this is the case with the NVIDIA NeMo API.To address these issues, we propose POST (**P**rivacy **O**f **S**oft prompt **T**ransfer), a framework that enables private tuning of soft prompts on a small model and subsequently transfers these prompts to a larger LLM.POST uses knowledge distillation to derive a small model directly from the large LLM to improve prompt transferability, tunes the soft prompt locally, optionally with differential privacy guarantees, and transfers it back to the larger LLM using a small public dataset. Our experiments show that POST reduces computational costs, preserves privacy, and effectively transfers high-utility soft prompts.

Social Aspects · Accountability, Transparency, and Interpretability

Aditya Taparia, Som Sagar, Ransalu Senanayake

Understanding the inner representation of a neural network helps users improve models. Concept-based methods have become a popular choice for explaining deep neural networks post-hoc because, unlike most other explainable AI techniques, they can be used to test high-level visual "concepts" that are not directly related to feature attributes. For instance, the concept of "stripes" is important to classify an image as a zebra. Concept-based explanation methods, however, require practitioners to guess and manually collect multiple candidate concept image sets, making the process labor-intensive and prone to overlooking important concepts. Addressing this limitation, in this paper, we frame concept image set creation as an image generation problem. However, since naively using a standard generative model does not result in meaningful concepts, we devise a reinforcement learning-based preference optimization (RLPO) algorithm that fine-tunes a vision-language generative model from approximate textual descriptions of concepts. Through a series of experiments, we demonstrate our method's ability to efficiently and reliably articulate diverse concepts that are otherwise challenging to craft manually.