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Computer Vision · Image and Video Generation

Bailey Trang Nguyen, Parham Saremi, Alan Wang, Fangrui Huang, Zahra TehraniNasab, Amar Kumar, Tal Arbel, Fei-Fei Li, Ehsan Adeli

Capturing diversity is crucial in conditional and prompt-based image generation, particularly when conditions contain uncertainty that can lead to multiple plausible outputs. To generate diverse images reflecting this diversity, traditional methods often modify random seeds, making it difficult to discern meaningful differences between samples, or diversify the input prompt, which is limited in verbally interpretable diversity. We propose \modelnamenospace, a novel conditional image generation framework, applicable to any pretrained conditional generative model, that addresses inherent condition/prompt uncertainty and generates diverse plausible images. \modelname is based on a simple yet effective idea: decomposing the input condition into diverse latent representations, each capturing an aspect of the uncertainty and generating a distinct image. First, we integrate a latent graph, parameterized by Generative Flow Networks (GFlowNets), into the prompt representation computation. Second, leveraging GFlowNets' advanced graph sampling capabilities to capture uncertainty and output diverse trajectories over the graph, we produce multiple trajectories that collectively represent the input condition, leading to diverse condition representations and corresponding output images. Evaluations on natural image and medical image datasets demonstrate \modelnamenospace’s improvement in both diversity and fidelity across image synthesis, image generation, and counterfactual generation tasks.

Social Aspects · Trustworthy Machine Learning

Sascha Xu, Nils Philipp Walter, Jilles Vreeken

Interpretable machine learning is essential in high-stakes domains like healthcare. Rule lists are a popular choice due to their transparency and accuracy, but learning them effectively remains a challenge. Existing methods require feature pre-discretization, constrain rule complexity or ordering, or struggle to scale. We present NeuRules, a novel end-to-end framework that overcomes these limitations. At its core, NeuRules transforms the inherently combinatorial task of rule list learning into a differentiable optimization problem, enabling gradient-based learning. It simultaneously discovers feature conditions, assembles them into conjunctive rules, and determines their order—without pre-processing or manual constraints. A key contribution here is a gradient shaping technique that steers learning toward sparse rules with strong predictive performance. To produce ordered lists, we introduce a differentiable relaxation that, through simulated annealing, converges to a strict rule list. Extensive experiments show that NeuRules consistently outperforms combinatorial and neural baselines on binary as well as multi-class classification tasks across a wide range of datasets.

Applications · Neuroscience, Cognitive Science

Shuchen Wu, Stephan Alaniz, Shyamgopal Karthik, Peter Dayan, Eric Schulz, Zeynep Akata

Neural networks are often described as black boxes, reflecting the significant challenge of understanding their internal workings and interactions. We propose a different perspective that challenges the prevailing view: rather than being inscrutable, neural networks exhibit patterns in their raw population activity that mirror regularities in the training data. We refer to this as the \textit{Reflection Hypothesis} and provide evidence for this phenomenon in both simple recurrent neural networks (RNNs) and complex large language models (LLMs). Building on this insight, we propose to leverage cognitively-inspired methods of \textit{chunking} to segment high-dimensional neural population dynamics into interpretable units that reflect underlying concepts. We propose three methods to extract these emerging entities, complementing each other based on label availability and neural data dimensionality. Discrete sequence chunking (DSC) creates a dictionary of entities in a lower-dimensional neural space; population averaging (PA) extracts recurring entities that correspond to known labels; and unsupervised chunk discovery (UCD) can be used when labels are absent. We demonstrate the effectiveness of these methods in extracting entities across varying model sizes, ranging from inducing compositionality in RNNs to uncovering recurring neural population states in large language models with diverse architectures, and illustrate their advantage to other interpretability methods. Throughout, we observe a robust correspondence between the extracted entities and concrete or abstract concepts in the sequence. Artificially inducing the extracted entities in neural populations effectively alters the network's generation of associated concepts. Our work points to a new direction for interpretability, one that harnesses both cognitive principles and the structure of naturalistic data to reveal the hidden computations of complex learning systems, gradually transforming them from black boxes into systems we can begin to understand. Implementation and code are publicly available at _https://github.com/swu32/Chunk-Interpretability_

Social Aspects · Accountability, Transparency and Interpretability

Neehar Kondapaneni, Oisin Mac Aodha, Pietro Perona

We propose a method for discovering and visualizing the differences between two learned representations, enabling more direct and interpretable model comparisons. We validate our method, which we call Representational Differences Explanations (RDX), by using it to compare models with known conceptual differences and demonstrate that it recovers meaningful distinctions where existing explainable AI (XAI) techniques fail. Applied to state-of-the-art models on challenging subsets of the ImageNet and iNaturalist datasets, RDX reveals both insightful representational differences and subtle patterns in the data. Although comparison is a cornerstone of scientific analysis, current tools in machine learning, namely post hoc XAI methods, struggle to support model comparison effectively. Our work addresses this gap by introducing an effective and explainable tool for contrasting model representations.

Wenjie Du, Xuqiang Li, Jinke Feng, Shuai Zhang, Wen Zhang, Yang Wang

Drug recommendation systems aim to identify optimal drug combinations for patient care, balancing therapeutic efficacy and safety. Advances in large-scale longitudinal EHRs have enabled learning-based approaches that leverage patient histories such as diagnoses, procedures, and previously prescribed drugs, to model complex patient-drug relationships. Yet, many existing solutions overlook standard clinical practices that favor certain drugs for specific conditions and fail to fully integrate the influence of molecular substructures on drug efficacy and safety. In response, we propose \textbf{SubRec}, a unified framework that integrates representation learning across both patient and drug spaces. Specifically, SubRec introduces a conditional information bottleneck to extract core drug substructures most relevant to patient conditions, thereby enhancing interpretability and clinical alignment. Meanwhile, an adaptive vector quantization mechanism is designed to generate patient–drug interaction patterns into a condition-aware codebook which reuses clinically meaningful patterns, reduces training overhead, and provides a controllable latent space for recommendation. Crucially, the synergy between condition-specific substructure learning and discrete patient prototypes allows SubRec to make accurate and personalized drug recommendations. Experimental results on the real-world MIMIC III and IV demonstrate our model's advantages. The source code is available at \href{https://anonymous.4open.science/r/DrugRecommendation-5173}{https://anonymous.4open.science/}.

Social Aspects · Accountability, Transparency and Interpretability

Eric Michaud, Asher Parker-Sartori, Max Tegmark

We study the problem of creating strong, yet narrow, AI systems. While recent AI progress has been driven by the training of large general-purpose foundation models, the creation of smaller models specialized for narrow domains could be valuable for both efficiency and safety. In this work, we explore two challenges involved in creating such systems, having to do with basic properties of how neural networks learn and structure their representations. The first challenge regards when it is possible to train narrow models from scratch. Through experiments on a synthetic task, we find that it is sometimes necessary to train networks on a wide distribution of data to learn certain narrow skills within that distribution. This effect arises when skills depend on each other hierarchically, and training on a broad distribution introduces a curriculum which substantially accelerates learning. The second challenge regards how to transfer particular skills from large general models into small specialized models. We find that model skills are often not perfectly localized to a particular set of prunable components. However, we find that methods based on pruning can still outperform distillation. We investigate the use of a regularization objective to align desired skills with prunable components while unlearning unnecessary skills.

Data-centric AI · Data-centric AI methods and tools

Jinho Choi, Hyesu Lim, Steffen Schneider, Jaegul Choo

Dataset bias, where data points are skewed to certain concepts, is ubiquitous in machine learning datasets. Yet, systematically identifying these biases is challenging without costly, fine-grained attribute annotations. We present ConceptScope, a scalable and automated framework for analyzing visual datasets by discovering and quantifying human-interpretable concepts using Sparse Autoencoders trained on representations from vision foundation models. ConceptScope categorizes concepts into target, context, and bias types based on their semantic relevance and statistical correlation to class labels, enabling class-level dataset characterization, bias identification, and robustness evaluation through concept-based subgrouping. We validate that ConceptScope captures a wide range of visual concepts, including objects, textures, backgrounds, facial attributes, emotions, and actions, through comparisons with annotated datasets. Furthermore, we show that concept activations produce spatial attributions that align with semantically meaningful image regions. ConceptScope reliably detects known biases (e.g., background bias in Waterbirds) and uncovers previously unannotated ones (e.g, co-occurring objects in ImageNet), offering a practical tool for dataset auditing and model diagnostics.

Theory · Learning Theory

Ruixin Guo, Ruoming Jin, Xinyu Li, Yang Zhou

Linear Autoencoders (LAEs) have shown strong performance in state-of-the-art recommender systems. However, this success remains largely empirical, with limited theoretical understanding. In this paper, we investigate the generalizability -- a theoretical measure of model performance in statistical learning -- of multivariate linear regression and LAEs. We first propose a PAC-Bayes bound for multivariate linear regression, extending the earlier bound for single-output linear regression by Shalaeva et al., and establish sufficient conditions for its convergence. We then show that LAEs, when evaluated under a relaxed mean squared error, can be interpreted as constrained multivariate linear regression models on bounded data, to which our bound adapts. Furthermore, we develop theoretical methods to improve the computational efficiency of optimizing the LAE bound, enabling its practical evaluation on large models and real-world datasets. Experimental results demonstrate that our bound is tight and correlates well with practical ranking metrics such as Recall@K and NDCG@K.

Computer Vision · Vision Models & Multimodal

Manyi Yao, Bingbing Zhuang, Sparsh Garg, Amit Roy-Chowdhury, Christian Shelton, Manmohan Chandraker, Abhishek Aich

Grounding large language models (LLMs) in domain-specific tasks like post-hoc dash-cam driving video analysis is challenging due to their general-purpose training and lack of structured inductive biases. As vision is often the sole modality available for such analysis (i.e., no LiDAR, GPS, etc.), existing video-based vision-language models (V-VLMs) struggle with spatial reasoning, causal inference, and explainability of events in the input video. To this end, we introduce iFinder, a structured semantic grounding framework that decouples perception from reasoning by translating dash-cam videos into a hierarchical, interpretable data structure for LLMs. iFinder operates as a modular, training-free pipeline that employs pretrained vision models to extract critical cues—object pose, lane positions, and object trajectories—which are hierarchically organized into frame- and video-level structures. Combined with a three-block prompting strategy, it enables step-wise, grounded reasoning for the LLM to refine a peer V-VLM's outputs and provide accurate reasoning. Evaluations on four public dash-cam video benchmarks show that iFinder's proposed grounding with domain-specific cues—especially object orientation and global context—significantly outperforms end-to-end V-VLMs on four zero-shot driving benchmarks, with up to 39% gains in accident reasoning accuracy. By grounding LLMs with driving domain-specific representations, iFinder offers a zero-shot, interpretable, and reliable alternative to end-to-end V-VLMs for post-hoc driving video understanding.

Pierre Clavier, Nathan Grinsztajn, Raphaël Avalos, Yannis Flet-Berliac, Irem Ergun, Omar Darwiche Domingues, Olivier Pietquin, Pierre Richemond, Florian Strub, Matthieu Geist

The fine-tuning of pre-trained large language models (LLMs) using reinforcement learning (RL) is generally formulated as direct policy optimization. This approach was naturally favored as it efficiently improves a pretrained LLM with simple gradient updates. Another RL paradigm, Q-learning methods, has received far less attention in the LLM community while demonstrating major success in various non-LLM RL tasks. In particular, Q-learning effectiveness stems from its sample efficiency and ability to learn offline, which is particularly valuable given the high computational cost of sampling with LLM. However, naively applying a Q-learning–style update to the model’s logits is ineffective due to the specificity of LLMs. Our contribution is to derive theoretically grounded loss functions from Bellman equations to adapt Q-learning methods to LLMs. To do so, we interpret LLM logits as Q-values and carefully adapt insights from the RL literature to account for LLM-specific characteristics. It thereby ensures that the logits become reliable Q-value estimates. We then use this loss to build a practical algorithm, ShiQ for Shifted-Q, that supports off-policy, token-wise learning while remaining simple to implement. Finally, ShiQ is evaluated on both synthetic data and real-world benchmarks, e.g., UltraFeedback, BFCL-V3, demonstrating its effectiveness in both single-turn and multi-turn LLM settings.

Applications · Neuroscience, Cognitive Science

Elia Torre, Michele Viscione, Lucas Pompe, Benjamin F. Grewe, Valerio Mante

Recurrent neural networks (RNNs) provide a powerful approach in neuroscience to infer latent dynamics in neural populations and to generate hypotheses about the neural computations underlying behavior. However, past work has focused on relatively simple, input-driven, and largely deterministic behaviors - little is known about the mechanisms that would allow RNNs to generate the richer, spontaneous, and potentially stochastic behaviors observed in natural settings. Modeling with Hidden Markov Models (HMMs) has revealed a segmentation of natural behaviors into discrete latent states with stochastic transitions between them, a type of dynamics that may appear at odds with the continuous state spaces implemented by RNNs. Here we first show that RNNs can replicate HMM emission statistics and then reverse-engineer the trained networks to uncover the mechanisms they implement. In the absence of inputs, the activity of trained RNNs collapses towards a single fixed point. When driven by stochastic input, trajectories instead exhibit noise-sustained dynamics along closed orbits. Rotation along these orbits modulates the emission probabilities and is governed by transitions between regions of slow, noise-driven dynamics connected by fast, deterministic transitions. The trained RNNs develop highly structured connectivity, with a small set of “kick neurons” initiating transitions between these regions. This mechanism emerges during training as the network shifts into a regime of stochastic resonance, enabling it to perform probabilistic computations. Analyses across multiple HMM architectures — fully connected, cyclic, and linear-chain — reveal that this solution generalizes through the modular reuse of the same dynamical motif, suggesting a compositional principle by which RNNs can emulate complex discrete latent dynamics.

Social Aspects · Accountability, Transparency and Interpretability

Andrew Nam, Henry Conklin, Yukang Yang, Tom Griffiths, Jonathan D Cohen, Sarah-Jane Leslie

We present causal head gating (CHG), a scalable method for interpreting the functional roles of attention heads in transformer models. CHG learns soft gates over heads and assigns them a causal taxonomy—facilitating, interfering, or irrelevant—based on their impact on task performance. Unlike prior approaches in mechanistic interpretability, which are hypothesis-driven and require prompt templates or target labels, CHG applies directly to any dataset using standard next-token prediction. We evaluate CHG across multiple large language models (LLMs) in the Llama 3 model family and diverse tasks, including syntax, commonsense, and mathematical reasoning, and show that CHG scores yield causal, not merely correlational, insight validated via ablation and causal mediation analyses. We also introduce contrastive CHG, a variant that isolates sub-circuits for specific task components. Our findings reveal that LLMs contain multiple sparse task-sufficient sub-circuits, that individual head roles depend on interactions with others (low modularity), and that instruction following and in-context learning rely on separable mechanisms.

Social Aspects · Accountability, Transparency and Interpretability

Oleksii Furman, Ulvi Movsum-zada, Patryk Marszałek, Maciej Zieba, Marek Śmieja

Counterfactual explanations play a pivotal role in explainable artificial intelligence (XAI) by offering intuitive, human-understandable alternatives that elucidate machine learning model decisions. Despite their significance, existing methods for generating counterfactuals often require constant access to the predictive model, involve computationally intensive optimization for each instance, and lack the flexibility to adapt to new user-defined constraints without retraining. In this paper, we propose DiCoFlex, a novel model-agnostic, conditional generative framework that produces multiple diverse counterfactuals in a single forward pass. Leveraging conditional normalizing flows trained solely on labeled data, DiCoFlex addresses key limitations by enabling real-time, user-driven customization of constraints such as sparsity and actionability at inference time. Extensive experiments on standard benchmark datasets show that DiCoFlex outperforms existing methods in terms of validity, diversity, proximity, and constraint adherence, making it a practical and scalable solution for counterfactual generation in sensitive decision-making domains.

Data-centric AI · Data-centric AI methods and tools

Hyungyung Lee, Geon Choi, Jung-Oh Lee, Hangyul Yoon, Hyuk Hong, Edward Choi

Recent progress in Large Vision-Language Models (LVLMs) has enabled promising applications in medical tasks, such as report generation and visual question answering. However, existing benchmarks focus mainly on the final diagnostic answer, offering limited insight into whether models engage in clinically meaningful reasoning. To address this, we present CheXStruct and CXReasonBench, a structured pipeline and benchmark built on the publicly available MIMIC-CXR-JPG dataset. CheXStruct automatically derives a sequence of intermediate reasoning steps directly from chest X-rays, such as segmenting anatomical regions, deriving anatomical landmarks and diagnostic measurements, computing diagnostic indices, and applying clinical thresholds. CXReasonBench leverages this pipeline to evaluate whether models can perform clinically valid reasoning steps and to what extent they can learn from structured guidance, enabling fine-grained and transparent assessment of diagnostic reasoning.The benchmark comprises 18,988 QA pairs across 12 diagnostic tasks and 1,200 cases, each paired with up to 4 visual inputs, and supports multi-path, multi-stage evaluation including visual grounding via anatomical region selection and diagnostic measurements.Even the strongest of 12 evaluated LVLMs struggle with structured reasoning and generalization, often failing to link abstract knowledge with anatomically grounded visual interpretation. The code is available at https://github.com/ttumyche/CXReasonBench

Social Aspects · Accountability, Transparency and Interpretability

Thomas Norrenbrock, Timo Kaiser, Sovan Biswas, Neslihan Kose, Ramesh Manuvinakurike, Bodo Rosenhahn

Globally interpretable models are a promising approach for trustworthy AI in safety-critical domains. Alongside global explanations, detailed local explanations are a crucial complement to effectively support human experts during inference. This work proposes the Calibrated Hierarchical QPM (CHiQPM) which offers uniquely comprehensive global and local interpretability, paving the way for human-AI complementarity. CHiQPM achieves superior global interpretability by contrastively explaining the majority of classes and offers novel hierarchical explanations that are more similar to how humans reason and can be traversed to offer a built-in interpretable Conformal prediction (CP) method. Our comprehensive evaluation shows that CHiQPM achieves state-of-the-art accuracy as a point predictor, maintaining 99% accuracy of non-interpretable models. This demonstrates a substantial improvement, where interpretability is incorporated without sacrificing overall accuracy. Furthermore, its calibrated set prediction is competitively efficient to other CP methods, while providing interpretable predictions of coherent sets along its hierarchical explanation.

Applications · Robotics

Siyuan Huang, Liliang Chen, Pengfei Zhou, Shengcong Chen, Yue Liao, Zhengkai Jiang, Yue Hu, Peng Gao, Hongsheng Li, Maoqing Yao 等

We introduce EnerVerse, a generative robotics foundation model that constructs and interprets embodied spaces. EnerVerse employs a chunk-wise autoregressive video diffusion framework to predict future embodied spaces from instructions, enhanced by a sparse context memory for long-term reasoning. To model the 3D robotics world, we adopt a multi-view video representation, providing rich perspectives to address challenges like motion ambiguity and 3D grounding. Additionally, EnerVerse-D, a data engine pipeline combining generative modeling with 4D Gaussian Splatting, forms a self-reinforcing data loop to reduce the sim-to-real gap. Leveraging these innovations, EnerVerse translates 4D world representations into physical actions via a policy head (EnerVerse-A), achieving state-of-the-art performance in both simulation and real-world tasks. For efficiency, EnerVerse-A reuses features from the first denoising step and predicts action chunks, achieving about 280 ms per 8-step action chunk on a single RTX 4090. Further video demos, dataset samples could be found in our project page.

Applications · Health

Xiang Lan, Feng Wu, Kai He, Qinghao Zhao, Shenda Hong, Mengling Feng

While recent multimodal large language models (MLLMs) have advanced automated ECG interpretation, they still face two key limitations: (1) insufficient multimodal synergy between ECG time series and ECG images, and (2) limited explainability in linking diagnoses to granular waveform evidence. We introduce GEM, the first MLLM unifying ECG time series, 12-lead ECG images and text for grounded and clinician-aligned ECG interpretation. GEM enables feature-grounded analysis, evidence-driven reasoning, and a clinician-like diagnostic process through three core innovations: a dual-encoder framework extracting complementary time series and image features, cross-modal alignment for effective multimodal understanding, and knowledge-guided instruction data generation for generating high-granularity grounding data (ECG-Grounding) linking diagnoses to measurable parameters ($e.g.$, QRS/PR Intervals). Additionally, we propose the Grounded ECG Understanding task, a clinically motivated benchmark designed to comprehensively assess the MLLM's capability in grounded ECG understanding. Experimental results on both existing and our proposed benchmarks show GEM significantly improves predictive performance (CSN $7.4\%$ $\uparrow$), explainability ($22.7\%$ $\uparrow$), and grounding ($25.3\%$ $\uparrow$), making it a promising approach for real-world clinical applications. Codes, model, and data are available at https://github.com/lanxiang1017/GEM.

Applications · Time Series

Yushan Jiang, Wenchao Yu, Geon Lee, Dongjin Song, Kijung Shin, Wei Cheng, Yanchi Liu, Haifeng Chen

Time series analysis provides essential insights for real-world system dynamics and informs downstream decision-making, yet most existing methods often overlook the rich contextual signals present in auxiliary modalities. To bridge this gap, we introduce TimeXL, a multi-modal prediction framework that integrates a prototype-based time series encoder with three collaborating Large Language Models (LLMs) to deliver more accurate predictions and interpretable explanations. First, a multi-modal prototype-based encoder processes both time series and textual inputs to generate preliminary forecasts alongside case-based rationales. These outputs then feed into a prediction LLM, which refines the forecasts by reasoning over the encoder's predictions and explanations. Next, a reflection LLM compares the predicted values against the ground truth, identifying textual inconsistencies or noise. Guided by this feedback, a refinement LLM iteratively enhances text quality and triggers encoder retraining. This closed-loop workflow---prediction, critique (reflect), and refinement---continuously boosts the framework's performance and interpretability. Empirical evaluations on four real-world datasets demonstrate that TimeXL achieves up to 8.9\% improvement in AUC and produces human-centric, multi-modal explanations, highlighting the power of LLM-driven reasoning for time series prediction.

Computer Vision · Everything Else

Xingxing Yang, Jie Chen, Zaifeng Yang

Spectral reconstruction from RGB images often suffers from a metameric dilemma, where distinct spectral distributions map to nearly identical RGB values, making them indistinguishable to current models and leading to unreliable reconstructions. In this paper, we present Diff-Spectra that integrates supervised physics-aware spectral estimation and unsupervised high-fidelity spectral regularization for HSI reconstruction. We first introduce an Adaptive illumiChroma Decoupling (AICD) module to decouple illumination and chrominance information, which learns intrinsic and distinctive feature distributions, thereby mitigating the metameric issue. Then, we incorporate the AICD into a learnable spectral response function (SRF) guided hyperspectral initial estimation mechanism to mimic the physical image formation and thus inject physics-aware reasoning into neural networks, turning an ill-posed problem into a constrained, interpretable task. We also introduce a metameric spectra augmentation method to synthesize comprehensive hyperspectral data to pre-train a Spectral Diffusion Module (SDM), which internalizes the statistical properties of real-world HSI data, enforcing unsupervised high-fidelity regularization on the spectral transitions via inner-loop optimization during inference. Extensive experimental evaluations demonstrate that our Diff-Spectra achieves SOTA performance on both Spectral reconstruction and downstream HSI classification.

Enjun Du, Xunkai Li, Tian Jin, Zhihan Zhang, Rong-Hua Li, Guoren Wang

The era of foundation models has revolutionized AI research, yet Graph Foundation Models (GFMs) remain constrained by the scarcity of large-scale graph corpora. Traditional graph data synthesis techniques primarily focus on simplistic structural operations, lacking the capacity to generate semantically rich nodes with meaningful textual attributes—a critical limitation for real-world applications. While large language models (LLMs) demonstrate exceptional text generation capabilities, their direct application to graph synthesis is impeded by context window limitations, hallucination phenomena, and structural consistency challenges. To address these issues, we introduce \textbf{GraphMaster}—the first multi-agent framework specifically designed for graph data synthesis in data-limited environments. GraphMaster orchestrates four specialized LLM agents (Manager, Perception, Enhancement, and Evaluation) that collaboratively optimize the synthesis process through iterative refinement, ensuring both semantic coherence and structural integrity. To rigorously evaluate our approach, we create new data-limited “Sub” variants of six standard graph benchmarks, specifically designed to test synthesis capabilities under realistic constraints. Additionally, we develop a novel interpretability assessment framework that combines human evaluation with a principled Grassmannian manifold-based analysis, providing both qualitative and quantitative measures of semantic coherence. Experimental results demonstrate that GraphMaster significantly outperforms traditional synthesis methods across multiple datasets, establishing a strong foundation for advancing GFMs in data-scarce environments.