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Deep Learning · Large Language Models

Hao Li, Hao Wan, Yixue Huang, Yuzhou Chen, Yulia Gel, Hao Jiang

Large language models (LLMs) are increasingly used in scientific discovery, system modeling, and decision-making, prompting interest in their ability to reason over complex structured data. Existing benchmarks primarily focus on static or local graph reasoning, overlooking the high-order structures in real-world systems whose global properties evolve across multiple scales. We introduce LLM4PH, a benchmark that evaluates multi-scale structural reasoning through the lens of persistent homology (PH), a topological framework for tracking structural evolution. LLM4PH decomposes the PH pipeline into interpretable reasoning tasks spanning synthetic and real-world graphs, revealing that most models struggle with reasoning over structural transitions and persistence. Beyond task-level evaluation, we perform cross-task ablations on prompt encoding and transfer, explore post-training effects, and construct a compositional PH pipeline to assess end-to-end performance. Our results provide the first in-depth view of how well LLMs bridge discrete graph structures with continuous topological abstraction, and offer insights into their potential for structure-aware scientific reasoning.

Probabilistic Methods · Everything Else

Mengqi Chen, Thomas Berrett, Theodoros Damoulas, Michele Caprio

Distributionally robust optimisation (DRO) minimises the worst-case expected loss over an ambiguity set that can capture distributional shifts in out-of-sample environments. While Huber (linear-vacuous) contamination is a classical minimal-assumption model for an $\varepsilon$-fraction of arbitrary perturbations, including it in an ambiguity set can make the worst-case risk infinite and the DRO objective vacuous unless one imposes strong boundedness or support assumptions. We address these challenges by introducing bulk-calibrated credal ambiguity sets: we learn a high-mass bulk set from data while considering contamination inside the bulk and bounding the remaining tail contribution separately. This leads to a closed-form, finite $\mathrm{mean}+\sup$ robust objective and tractable linear or second-order cone programs for common losses and bulk geometries. Through this framework, we highlight and exploit the equivalence between the imprecise probability (IP) notion of upper expectation and the worst-case risk, demonstrating how IP credal sets translate into DRO objectives with interpretable tolerance levels. Experiments on heavy-tailed inventory control, geographically shifted house-price regression, and demographically shifted text classification show competitive robustness-accuracy trade-offs and efficient optimisation times, using Bayesian, frequentist, or empirical reference distributions.

Social Aspects · Accountability, Transparency, and Interpretability

Hadas Orgad, Fazl Barez, Tal Haklay, Isabelle Lee, Marius Mosbach, Anja Reusch, Naomi Saphra, Byron Wallace, Sarah Wiegreffe, Eric Wong 等

Interpretability aims to explain the behavior of deep neural networks. Despite rapid growth, there is mounting concern that much of this work has not translated into practical impact, raising questions about its relevance and utility. This position paper argues that the central missing ingredient is not new methods, but evaluation criteria: interpretability should be evaluated by actionability—the extent to which insights enable concrete decisions and interventions beyond interpretability research itself. We define actionable interpretability along two dimensions—concreteness and validation—and analyze the barriers currently preventing real-world impact. To address these barriers, we identify five domains where interpretability offers unique leverage and present a framework for actionable interpretability with evaluation criteria aligned with practical outcomes. Our goal is not to downplay exploratory research, but to establish actionability as a core objective of interpretability research.

General Machine Learning · Evaluation

Walid Durani, Philipp Jahn, Collin Leiber, David B. Hoffmann, Thomas Seidl, Claudia Plant, Christian Böhm

Clustering is commonly compared through leaderboards that collapse performance into a single aggregate ranking. Such summaries obscure why methods succeed, which data properties align with failure, and how conclusions shift under representation changes and realistic tuning constraints. We present CHB, a diagnostic toolkit for hardness-aware clustering evaluation. CHB maps each dataset--representation pair to an interpretable hardness fingerprint capturing (i) separation, (ii) cohesion and scale heterogeneity, and (iii) topology through scalable persistent-homology summaries. Using this diagnostic space, CHB evaluates clustering algorithms under standardized, compute-aware tracks. Conditioning results on hardness coordinates turns comparison into diagnosis: across a broad range of datasets and their representations, CHB reveals reproducible structural regimes, uncovers regime-dependent ranking reversals across method families, and surfaces robustness signatures, including topology-linked breakdowns. CHB further enables representation auditing by attributing gains to measurable shifts in the hardness fingerprint rather than just external performance changes. We release CHB as an open, extensible artifact for evaluating new clustering methods and embeddings within a shared diagnostic framework.

Applications · Robotics

Xitie Zhang, Aming WU, Yahong Han

Cross-task generalization is a core challenge in open-world robotic manipulation, and the key lies in extracting transferable manipulation knowledge from seen tasks. Recent in-context learning approaches leverage seen task demonstrations to generate actions for unseen tasks without parameter updates. However, existing methods provide only low-level continuous action sequences as context, failing to capture composable skill knowledge and causing models to degenerate into superficial trajectory imitation. We propose Decompose and Recompose, a skill reasoning framework using atomic skill-action pairs as intermediate representations. Our approach decomposes seen demonstrations into interpretable skill--action alignments, enabling the model to recompose these skills for unseen tasks through compositional reasoning. Specifically, we construct a task-adaptive dynamic demonstration library via visual-semantic retrieval combined with skill sequences from a planning agent, complemented by a coverage-aware static library to fill missing skill patterns. Together, these yield skill-comprehensive demonstrations that explicitly elicit compositional reasoning for skill composition and execution ordering. Experiments on the AGNOSTOS benchmark and real-world environments validate our method's zero-shot cross-task generalization capability.

General Machine Learning · Representation Learning

Yanjie Qiu, Xiaodong Yue, Xuhui Fan, Yufei Chen, Jie Shi, Wei Liu

Concept Embedding Models (CEMs) advance interpretable AI by extending Concept Bottleneck Models (CBMs) through semantic concept embeddings, providing an important solution in high-stakes domains such as medical diagnosis where accuracy and interpretability are critical. However, a fundamental limitation persists: existing CEMs inherently assume concept independence, critically overlooking the highly complex dependencies among concepts. To address this, we propose an Evidential Copula Concept Embedding Model (EC-CEM) that redefines the joint distribution over concepts, capturing inter-concept dependencies while maintaining a flexible structure that decouples the marginal concept distributions from their dependency structure. In particular, EC-CEM relaxes the concept independence assumption and uniquely integrates Copula theory with evidential deep learning to define a joint distribution over concepts. The proposed EC-CEM also develops two training objectives that aim at classification and concept modeling simultaneously. We provide theoretical justification via variational inference and demonstrate empirical superiority through extensive experiments.

Applications · Language, Speech and Dialog

Karthik Somayaji NS, Yuxuan Yin, Peng Li

In critical domains like clinical reporting, legal analysis, and policy drafting, large language models (LLMs) are increasingly expected to produce extended, fact‑rich narratives rather than isolated sentences. Reliable uncertainty quantification in such long‑form outputs is crucial. Existing techniques either assign a single confidence score to an entire paragraph or evaluate factual consistency by comparing extracted atomic facts across multiple generations. Some recent approaches represent fact–paragraph relationships using bipartite entailment graphs and derive uncertainty from fact centrality. However, these methods ignore the explicit dependencies among facts within a paragraph and the structural and semantic variation across multiple LLM outputs for the same prompt, missing a key source of uncertainty specific to long‑form generation. We propose **GAUSS** (**G**raph‑**A**ssisted **U**ncertainty **Q**uantification using **S**tructure and **S**emantics), a principled framework that models each generated paragraph as a semantic graph of atomic facts and their relations. We posit that uncertainty arises from structural and semantic discrepancies among these graphs across different samples. **GAUSS** quantifies uncertainty as the expected alignment cost between the semantic graph of an anchor paragraph and those of alternative generations. By capturing both semantic content and structural coherence, **GAUSS** offers a more interpretable and theoretically grounded measure of uncertainty than coarse, sentence‑level scores.

Adil Soubki, Miles Cranmer

Symbolic Regression (SR) is the task of finding a closed-form mathematical expression that optimizes some objective. Solving this task is NP-hard. However, SR software routinely discovers accurate, interpretable models without exhaustively searching function space. Motivated by this disconnect between worst-case theory and practical success, we study SR through the lens of *parameterized complexity theory*. In particular, we reanalyze tractability with respect to practically relevant parameters like expression depth, tree size, and number of primitives used. We show that SR is actually fixed-parameter tractable (FPT) under a parametrization over expression depth or tree size, formalizing an explanation for why the bounded-complexity search of popular SR algorithms succeeds. However, SR becomes W[1]-hard when parameterized by the number of variables or primitives used, identifying selection as a source of intractability. We further find lower bounds under the exponential time hypothesis, prove approximation hardness, and rule out polynomial kernels.

Social Aspects · Alignment

Pushkar Mishra, Charvi Rastogi, Stephen Pfohl, Alicia Parrish, Tian Teh, Roma Patel, Mark Diaz, Ding Wang, Michela Paganini, Vinodkumar Prabhakaran 等

Ensuring the safety of Generative AI requires a nuanced understanding of pluralistic viewpoints. In this paper, we introduce a novel data-driven approach for analyzing ordinal safety ratings in pluralistic settings. Specifically, we address the challenge of interpreting nuanced differences in safety feedback from a diverse population expressed via ordinal scales (e.g., a Likert scale). We define non-parametric responsiveness metrics that quantify how raters convey broader distinctions and granular variations in the severity of safety violations. Leveraging publicly available datasets of pluralistic safety feedback as our case studies, we investigate how raters from different demographic groups use an ordinal scale to express their perceptions of the severity of violations. We apply our metrics across violation types, demonstrating their utility in extracting nuanced insights that are crucial for aligning AI systems reliably in multi-cultural contexts. We show that our approach can inform rater selection and feedback interpretation by capturing nuanced viewpoints across different demographic groups, hence improving the quality of pluralistic data collection and in turn contributing to more robust AI alignment.

Applications · Health / Medicine

Junzhi Ning, Wei Li, Cheng Tang, Jiashi Lin, Chenglong Ma, Chaoyang Zhang, Jiyao Liu, Ying Chen, Shujian Gao, Lihao Liu 等

Medical diagnosis demands models that can process multimodal medical inputs, such as medical images and patient histories, and generate diverse outputs including textual reports and visual content, such as annotations or segmentation masks. Despite this need, existing medical AI models disrupt this unified process: image understanding models interpret images without producing visual outputs, while image generation models produce visual outputs but cannot provide textual explanations. Therefore, we propose a multi-level framework called Observation-Knowledge-Analysis (OKA) to unify the distinct processes. Specifically, at the observation level, we construct UniMed-5M, a dataset comprising over 5.6M samples that reformat diverse unimodal data into multimodal pairs. At the knowledge level, we propose Progressive Curriculum Learning, where models simultaneously learn medical multimodal understanding and generation knowledge from UniMed-5M.At the analysis level, we introduce UniMedVL, the first medical unified multimodal model that unifies image understanding and generation within a single architecture without manually reloading model checkpoints. UniMedVL achieves superior performance on 5 medical image understanding benchmarks, while matching specialized models in generation quality across 8 medical imaging modalities. Crucially, our unified architecture enables bidirectional knowledge sharing, improving performance on both image understanding and generation tasks. Code is available at https://anonymous.4open.science/r/Uni-MedVL-65F2/README.md.

Social Aspects · Accountability, Transparency, and Interpretability

Kiho Park, Todd Nief, Yo Joong Choe, Victor Veitch

This paper concerns the question of how language models and other AI systems encode semantic structure into the geometric structure of their representation spaces. The motivating observation of this paper is that the natural geometry of these representation spaces should reflect the way models use representations to produce behavior. We focus on the important special case of representations that define softmax distributions. We argue that the natural geometry is information geometry, and then show how this interacts with semantic encoding and the linear representation hypothesis. It turns out that the duality structure of information geometry plays a critical role. As an illustrative application, we develop *dual steering*, a method for robustly steering representations to exhibit a particular concept using linear probes. We formally prove that dual steering optimally modifies the target concept while minimizing changes to off-target concepts. We empirically find that dual steering enhances the controllability and stability of concept manipulation.

Deep Learning · Large Language Models

Mengjie Qian, Guangzhi Sun, Mark Gales, Kate Knill

Large language models (LLMs) are increasingly applied as automatic evaluators for natural language generation assessment often using pairwise comparative judgements. Existing approaches typically rely on single judges or aggregate multiple judges assuming equal reliability. In practice, LLM judges vary substantially in performance across tasks and aspects, and their judgment probabilities may be biased and inconsistent. Furthermore, human-labelled supervision for judge calibration may be unavailable. We first empirically demonstrate that inconsistencies in LLM comparison probabilities exist and show that it limits the effectiveness of direct probability-based ranking. To address this, we study the \emph{LLM-as-a-jury} setting and propose BT-$\sigma$, a judge-aware extension of the Bradley–Terry model that introduces a discriminator parameter for each judge to jointly infer item rankings and judge reliability from pairwise comparisons alone. Experiments on benchmark NLG evaluation datasets show that \textit{BT-$\sigma$} consistently outperforms averaging-based aggregation methods, and that the learned discriminator strongly correlates with independent measures of LLM evaluation performance. Further analysis reveals that \textit{BT-$\sigma$} can be interpreted as an unsupervised calibration mechanism that improves aggregation by modelling judge reliability.

Social Aspects · Accountability, Transparency, and Interpretability

Gal Pomerants, Yaniv Nikankin, Anja Reusch, Tomer Tsaban, Ora Schueler-Furman, Yonatan Belinkov

Protein sequences are abundant in repeating segments, both as exact copies and as approximate segments with mutations. These repeats are important for protein structure and function, motivating decades of algorithmic work on repeat identification. Recent work has shown that protein language models (PLMs) identify repeats, by examining their behavior in masked-token prediction. To elucidate their internal mechanisms, we investigate how PLMs detect both exact and approximate repeats. We find that the mechanism for approximate repeats functionally subsumes that of exact repeats. We then characterize this mechanism, revealing two main stages: PLMs first build feature representations using both general positional attention heads and biologically specialized components, such as neurons that encode amino-acid similarity. Then, induction heads attend to aligned tokens across repeated segments, promoting the correct answer. Our results reveal how PLMs solve this biological task by combining language-based pattern matching with specialized biological knowledge, thereby establishing a basis for studying more complex evolutionary processes in PLMs.

General Machine Learning · Supervised Learning

Adia C. Lumadjeng, Ilker Birbil, Erman Acar

We introduce ECSEL, an explainable classification method that learns formal expressions in the form of signomial equations, motivated by the observation that many symbolic regression benchmarks admit compact signomial structure. ECSEL directly constructs a structural, closed-form expression that serves as both a classifier and an explanation. On standard symbolic regression benchmarks, our method recovers a larger fraction of target equations than competing state-of-the-art approaches while requiring substantially less computation. Leveraging this efficiency, ECSEL achieves classification accuracy competitive with established machine learning models without sacrificing interpretability. Further, we show that ECSEL satisfies some desirable properties regarding global feature behaviour, decision-boundary analysis, and local feature attributions. Experiments on benchmark datasets and two real-world case studies i.e., e-commerce and fraud detection, demonstrate that the learned equations expose dataset biases, support counterfactual reasoning, and yield actionable insights.

Social Aspects · Accountability, Transparency, and Interpretability

Jinyang Liu, Munir Hiabu

Interpretable machine learning requires models that are accurate and structurally faithful to the data. Existing explainability methods rely heavily on additive representations (e.g., GAMs, SHAP, functional ANOVA), which can suffer from signal cancellation and extrapolation in presence of strong interactions. We propose Tensor Separation Learning (TSL), a regression model that learns a sum of separable (rank-1) tensor products via an orthogonal greedy algorithm. By enforcing separability, TSL avoids the information loss inherent in additive projections caused by marginalizing higher-order interactions. The learned TSL model can be fully reconstructed from first-order partial dependence functions of its fitted factors. We establish approximation-rate guarantees for functions with bounded mixed $ p $-th order partial derivatives and demonstrate that TSL competes with black-box models on regression benchmarks. Crucially, TSL improves interpretability by factorizing interactions, allowing users to explicitly disentangle the magnitude of an effect from its direction directly via the fitted factors.

General Machine Learning · Sequential, Network, and Time Series Modeling

Shiqi Zhang, Pan Mu, HantingYan, Yuchao Zhu, jinglin zhang, Cong Bai

Multi-modal spatio-temporal forecasting underpins many real-world applications but remains challenging due to the complex and evolving interactions across modalities and time steps. Moreover, the lack of interpretability in existing models limits their reliability in safety-critical scenarios. In this paper, we present CausalX, a unified and causally interpretable plug-and-play model for multi-modal spatio-temporal forecasting. CausalX achieves interpretability by learning a dynamic causal graph across modalities and time, whose edge weights quantify causal attribution strength, and are further refined by a diffusion-based generative process guided by structural priors. To overcome the absence of ground-truth causal structures, CausalX aggregates multi-source constraints from causal analysis techniques and a variational autoencoder, spanning predictive, temporal, interventional, and generative aspects to jointly learn a more comprehensive causal graph. Extensive experiments on real-world forecasting tasks, including pedestrian trajectory prediction and tropical cyclone forecasting, demonstrate that CausalX achieves superior accuracy while producing interpretable causal graphs. CausalX is modular, architecture-agnostic, and generalizable, offering a new perspective on bridging causal inference and spatio-temporal forecasting.

Deep Learning · Large Language Models

Yue Feng, Wei Ji, Qijia Lu, Jingrou Zhang, Fei Shen, Jingjing Li, Xiao Li, Yizhen Jia, Qiang Chen, Limin Wang 等

The rapid advancement of AI-driven video generation has transformed content creation, while simultaneously increasing the risk of misinformation through localized manipulations in long-form videos. Existing video forensic methods predominantly operate on short, independent clips, and thus fail to capture realistic scenarios where AI-generated content is sparsely embedded within otherwise authentic footage. To bridge this gap, we formulate the task of Temporal AI-Generated Segment Localization and Explanation, which targets authenticity detection, temporal localization, and interpretable analysis of manipulated segments in untrimmed long videos. We further introduce TASLE, a large-scale benchmark comprising 12,472 untrimmed videos with diverse manipulation patterns and rich annotation signals, including temporal boundaries, authenticity labels, and segment-level rationales. In addition, we propose MSLoc, a coarse-to-fine forensic baseline that combines a boundary-sensitive proposal generation module for efficient long-video scanning with an MLLM-based refinement module for precise boundary localization and interpretable reasoning. Experiments validate the effectiveness of the proposed baseline, highlighting the importance of segment-level explainable forensics for long-form AI-generated video analysis. Dataset and code will be made publicly available.

Deep Learning · Robustness

Bum Jun Kim, Makoto Kawano, Yusuke Iwasawa, Yutaka Matsuo

While the robustness of vision models is often measured, their dependence on specific architectural design choices is rarely dissected. We investigate why certain vision architectures are inherently more robust to additive Gaussian noise and convert these empirical insights into simple, actionable design rules. Specifically, we performed extensive evaluations on 1,174 pretrained vision models, empirically identifying four consistent design patterns for improved robustness against Gaussian noise: larger stem kernels, smaller input resolutions, average pooling, and supervised vision transformers (ViTs) rather than CLIP ViTs, which yield up to 506 rank improvements and 21.6%p accuracy gains. We then develop a theoretical analysis that explains these findings, converting observed correlations into causal mechanisms. First, we prove that low-pass stem kernels attenuate noise with a gain that decreases quadratically with kernel size and that anti-aliased downsampling reduces noise energy roughly in proportion to the square of the downsampling factor. Second, we demonstrate that average pooling is unbiased and suppresses noise in proportion to the pooling window area, whereas max pooling incurs a positive bias that grows slowly with window size and yields a relatively higher mean-squared error and greater worst-case sensitivity. Third, we reveal and explain the vulnerability of CLIP ViTs via a pixel-space Lipschitz bound: The smaller normalization standard deviations used in CLIP preprocessing amplify worst-case sensitivity by up to 1.91 times relative to the Inception-style preprocessing common in supervised ViTs. Our results collectively disentangle robustness into interpretable modules, provide a theory that explains the observed trends, and build practical, plug-and-play guidelines for designing vision models more robust against Gaussian noise.

General Machine Learning · Representation Learning

Linghao Kong, Inimai Subramanian, Yonadav Shavit, Micah Adler, Dan Alistarh, Nir Shavit

This work demonstrates how increasing the number of neurons in a network without increasing its number of non-zero parameters improves performance. We show that this gain corresponds with a decrease in interference between multiple features that would otherwise share the same neurons. On symbolic tasks, specifically Boolean code problems, splitting each neuron into sparser sub-neurons with knowledge of the clauses systematically reduces polysemanticity metrics and yields higher task accuracy. Notably, even random splits of neuron weights approximate these gains, indicating that reduced collisions, not precise assignment, are a primary driver. Consistent with the superposition hypothesis, the benefits of this framework grow with increasing interference: when polysemantic load is high, accuracy improvements are the largest. Transferring these insights to real models—classifiers over CLIP embeddings, CNNs, and deeper multilayer networks—we find that widening networks while maintaining a constant non-zero parameter count consistently increases accuracy. These results identify an interpretability-grounded mechanism to leverage width against superposition, improving performance without increasing the number of non-zero parameters. Such a direction is well matched to modern accelerators, where memory movement of non-zero parameters, rather than raw compute, is often the dominant bottleneck.

Social Aspects · Accountability, Transparency, and Interpretability

Joeun Kim, HoEun Kim, Dongsup Jin, Young-Sik Kim

Recent multi-bit watermarking methods for large language models (LLMs) prioritize capacity over reliability, often conflating decoding with detection. Our analysis reveals that existing ECC-based extractors suffer from catastrophic false positive rates (FPR), and applying rejection thresholds merely collapses detection sensitivity (TPR) to random guessing. To resolve this structural limitation, we propose **BREW** (Block-wise Reliable Embedding for Watermarking), a framework shifting the paradigm to *designated verification*. BREW employs a two-stage mechanism: (i) **blind message estimation** via independent block voting, followed by (ii) **window-shifting verification** that rigorously validates the payload against local edits. Experiments demonstrate that BREW achieves a TPR of 0.965 with an FPR of 0.02 under 10\% synonym substitution, demonstrating that the high-FPR issue is not an inherent trade-off of multi-bit watermarking, but a solvable structural flaw of prior decoding-centric designs. Our framework is model-agnostic and theoretically grounded, providing a scalable solution for reliable forensic deployment.