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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.

Theory · Learning Theory

Qijia He, Minghan Wang, Xutong Liu, Zhiyong Wang, Fang Kong

The multi-armed bandit (MAB) is a fundamental online decision-making framework that has been extensively studied over the past two decades. To mitigate the high cost and slow convergence of purely online learning, modern MAB approaches have explored _hybrid_ paradigms that leverage offline data to warm-start online learning. However, existing approaches face a significant limitation by assuming that the offline and online data are homogeneous—they share the same feedback structure and are drawn from the same underlying distribution. This assumption is often violated in practice, where offline data often originate from diverse sources and evolving environments, resulting in feedback heterogeneity and distributional shifts. In this work, we tackle the challenge of learning across this offline-online gap by developing a general hybrid bandit framework that incorporates heterogeneous offline data to improve online performance. We study two hybrid settings: (1) using reward-based offline data to accelerate online learning in preference-based bandits (i.e., dueling bandits), and (2) using preference-based offline data to improve online standard MAB algorithms. For both settings, we design novel algorithms and derive tight regret bounds that match or improve upon existing benchmarks despite heterogeneity. Empirical evaluations on both synthetic and real-world datasets show that our proposed methods significantly outperform baseline algorithms.

Yuxuan Yang, Dalin Zhang, Yuxuan Liang, Hua Lu, Gang Chen, Huan Li

Time Series Forecasting (TSF) is a crucial task in various domains, yet existing TSF models rely heavily on high-quality data and insufficiently exploit all available data. This paper explores a novel self-supervised approach to re-label time series datasets by inherently constructing candidate datasets. During the optimization of a simple reconstruction network, intermediates are used as pseudo labels in a self-supervised paradigm, improving generalization for any predictor. We introduce the Self-Correction with Adaptive Mask (SCAM), which discards overfitted components and selectively replaces them with pseudo labels generated from reconstructions. Additionally, we incorporate Spectral Norm Regularization (SNR) to further suppress overfitting from a loss landscape perspective. Our experiments on eleven real-world datasets demonstrate that SCAM consistently improves the performance of various backbone models. This work offers a new perspective on constructing datasets and enhancing the generalization of TSF models through self-supervised learning. The code is available at https://github.com/SuDIS-ZJU/SCAM.

Dipendra Misra, Aldo Pacchiano, Ta-Chung Chi, Ge Gao

We study how to fine-tune LLMs using user-edit deployment data consisting of a set of context, an agent's response, and user edits. This deployment data is naturally generated by users in applications such as LLMs-based writing assistants and coding agents. The _natural_ origin of user edits makes it a desired source for adapting and personalizing of LLMs. In this setup, there emerges a unification of various feedback types namely preferences, supervised labels, and cost that are typically studied separately in the literature. In this paper, we initiate the theoretical investigation of learning from user edits. We first derive bounds for learning algorithms that learn from each of these feedback types. We prove that these algorithms have different trade-offs depending upon the user, data distribution, and model class. We then propose a simple ensembling procedure to jointly learn from these feedback types. On two domains from Gao et al. 2024, we show our ensembling procedure outperforms these methods that learn from individual feedback. Further, we show that our proposed procedure can robustly adapt to different user-edit distributions at test time.

Theory · Learning Theory

Taehyun Hwang, Dahngoon Kim, Min-hwan Oh

We study the _multinomial logit_ (MNL) contextual bandit problem for sequential assortment selection. Although most existing research assumes utility functions to be linear in item features, this linearity assumption restricts the modeling of intricate interactions between items and user preferences. A recent work (Zhang & Luo, 2024) has investigated general utility function classes, yet its method faces fundamental trade-offs between computational tractability and statistical efficiency. To address this limitation, we propose a computationally efficient algorithm for MNL contextual bandits leveraging the upper confidence bound principle, specifically designed for non-linear parametric utility functions, including those modeled by neural networks. Under a realizability assumption and a mild geometric condition on the utility function class, our algorithm achieves a regret bound of $\tilde{\mathcal{O}}(\sqrt{T})$, where $T$ denotes the total number of rounds. Our result establishes that sharp $\tilde{\mathcal{O}}(\sqrt{T})$-regret is attainable even with neural network-based utilities, without relying on strong assumptions such as neural tangent kernel approximations. To the best of our knowledge, our proposed method is the first computationally tractable algorithm for MNL contextual bandits with non-linear utilities that provably attains $\tilde{\mathcal{O}}(\sqrt{T})$ regret. Comprehensive numerical experiments validate the effectiveness of our approach, showing robust performance not only in realizable settings but also in scenarios with model misspecification.

Applications · Genetics, Cell Biology, etc

Junjie Xu, Jiahao Zhang, Mangal Prakash, Xiang Zhang, Suhang Wang

Geometric graph neural networks (GNNs) that respect E(3) symmetries have achieved strong performance on small molecule modeling, but they face scalability and expressiveness challenges when applied to large biomolecules such as RNA and proteins. These systems require models that can simultaneously capture fine-grained atomic interactions, long-range dependencies across spatially distant components, and biologically relevant hierarchical structure—such as atoms forming residues, which in turn form higher-order domains. Existing geometric GNNs, which typically operate exclusively in either Euclidean or Spherical Harmonics space, are limited in their ability to capture both the fine-scale atomic details and the long-range, symmetry-aware dependencies required for modeling the multi-scale structure of large biomolecules. We introduce DualEquiNet, a Dual-Space Hierarchical Equivariant Network that constructs complementary representations in both Euclidean and Spherical Harmonics spaces to capture local geometry and global symmetry-aware features. DualEquiNet employs bidirectional cross-space message passing and a novel Cross-Space Interaction Pooling mechanism to hierarchically aggregate atomic features into biologically meaningful units, such as residues, enabling efficient and expressive multi-scale modeling for large biomolecular systems. DualEquiNet achieves state-of-the-art performance on multiple existing benchmarks for RNA property prediction and protein modeling, and outperforms prior methods on two newly introduced 3D structural benchmarks demonstrating its broad effectiveness across a range of large biomolecule modeling tasks.

Deep Learning · Algorithms

Yize Wu, KE GAO, Ling Li, Yanjun Wu

Speculative decoding is an effective and lossless method for Large Language Model (LLM) inference acceleration. It employs a smaller model to generate a draft token sequence, which is then verified by the original base model. In multi-GPU systems, inference latency can be further reduced through tensor parallelism (TP), while the optimal TP size of the draft model is typically smaller than that of the base model, leading to GPU idling during the drafting stage. We observe that such inefficiency stems from the sequential execution of layers, which is seemingly natural but actually unnecessary. Therefore, we propose EasySpec, a layer-parallel speculation strategy that optimizes the efficiency of multi-GPU utilization. EasySpec breaks the inter-layer data dependencies in the draft model, enabling multiple layers to run simultaneously across multiple devices as ``fuzzy'' speculation. After each drafting-and-verification iteration, the draft model’s key-value cache is calibrated in a single forward pass, preventing long-term fuzzy-error accumulation at minimal additional latency. EasySpec is a training-free and plug-in method. We evaluated EasySpec on several mainstream open-source LLMs, using smaller versions of models from the same series as drafters. The results demonstrate that EasySpec can achieve a peak speedup of 4.17x compared to vanilla decoding, while preserving the original distributions of the base LLMs. Specifically, the drafting stage can be accelerated by up to 1.62x with a maximum speculation accuracy drop of only 7\%. The code is available at https://github.com/Yize-Wu/EasySpec.

Deep Learning · Everything Else

Xihang Qiu, Jiarong Cheng, Yuhao Fang, Wanpeng Zhang, Yao Lu, Ye Zhang, Chun Li

Multimodal Emotion Recognition in Conversations (MERC) enhances emotional understanding through the fusion of multimodal signals. However, unpredictable modality absence in real-world scenarios significantly degrades the performance of existing methods. Conventional missing-modality recovery approaches, which depend on training with complete multimodal data, often suffer from semantic distortion under extreme data distributions, such as fixed-modality absence. To address this, we propose the Federated Dialogue-guided and Semantic-Consistent Diffusion (FedDISC) framework, pioneering the integration of federated learning into missing-modality recovery. By federated aggregation of modality-specific diffusion models trained on clients and broadcasting them to clients missing corresponding modalities, FedDISC overcomes single-client reliance on modality completeness. Additionally, the DISC-Diffusion module ensures consistency in context, speaker identity, and semantics between recovered and available modalities, using a Dialogue Graph Network to capture conversational dependencies and a Semantic Conditioning Network to enforce semantic alignment. We further introduce a novel Alternating Frozen Aggregation strategy, which cyclically freezes recovery and classifier modules to facilitate collaborative optimization. Extensive experiments on the IEMOCAP, CMUMOSI, and CMUMOSEI datasets demonstrate that FedDISC achieves superior emotion classification performance across diverse missing modality patterns, outperforming existing approaches.

Computer Vision · Vision Models & Multimodal

Huanjin Yao, Qixiang Yin, Jingyi Zhang, Min Yang, Yibo Wang, Wenhao Wu, Fei Su, Li Shen, Minghui Qiu, Dacheng Tao 等

In this work, we aim to incentivize the reasoning ability of Multimodal Large Language Models (MLLMs) via reinforcement learning (RL) and develop an effective approach that mitigates the sparse reward and advantage vanishing issues during RL. To this end, we propose Share-GRPO, a novel RL approach that tackle these issues by exploring and sharing diverse reasoning trajectories over expanded question space. Specifically, Share-GRPO first expands the question space for a given question via data transformation techniques, and then encourages MLLM to effectively explore diverse reasoning trajectories over the expanded question space and shares the discovered reasoning trajectories across the expanded questions during RL. In addition, Share-GRPO also shares reward information during advantage computation, which estimates solution advantages hierarchically across and within question variants, allowing more accurate estimation of relative advantages and improving the stability of policy training. Extensive evaluations over 6 widely-used reasoning benchmarks showcase the superior performance of our method. Code is available at https://github.com/HJYao00/R1-ShareVL.

Applications · Physics

Minchan Jeong, Jongha (Jon) Ryu, Se-Young Yun, Gregory Wornell

The Koopman operator provides a principled framework for analyzing nonlinear dynamical systems through linear operator theory. Recent advances in dynamic mode decomposition (DMD) have shown that trajectory data can be used to identify dominant modes of a system in a data-driven manner. Building on this idea, deep learning methods such as VAMPnet and DPNet have been proposed to learn the leading singular subspaces of the Koopman operator. However, these methods require backpropagation through potentially numerically unstable operations on empirical second moment matrices, such as singular value decomposition and matrix inversion, during objective computation, which can introduce biased gradient estimates and hinder scalability to large systems. In this work, we propose a scalable and conceptually simple method for learning the top-$k$ singular functions of the Koopman operator for stochastic dynamical systems based on the idea of low-rank approximation. Our approach eliminates the need for unstable linear-algebraic operations and integrates easily into modern deep learning pipelines. Empirical results demonstrate that the learned singular subspaces are both reliable and effective for downstream tasks such as eigen-analysis and multi-step prediction.

Deep Learning · Theory

Alex Nguyen, David Schwab, Vudtiwat Ngampruetikorn

Machine learning models are often brittle under distribution shift, i.e., when data distributions at test time differ from those during training. Understanding this failure mode is central to identifying and mitigating safety risks of mass adoption of machine learning. Here we analyze ridge regression under concept shift—a form of distribution shift in which the input-label relationship changes at test time. We derive an exact expression for prediction risk in the thermodynamic limit. Our results reveal nontrivial effects of concept shift on generalization performance, including a phase transition between weak and strong concept shift regimes and nonmonotonic data dependence of test performance even when double descent is absent. Our theoretical results are in good agreement with experiments based on transformers pretrained to solve linear regression; under concept shift, too long context length can be detrimental to generalization performance of next token prediction. Finally, experiments on MNIST and FashionMNIST further validate our theoretical predictions, suggesting these phenomena represent a fundamental aspect of learning under distribution shift.

Computer Vision · Image and Video Generation

Ruilong Li, Brent Yi, Junchen Liu, Hang Gao, Yi Ma, Angjoo Kanazawa

Transformers are increasingly prevalent for multiview computer vision tasks, where geometric relationships between viewpoints are critical for 3D perception. To leverage these relationships, multiview transformers must use camera geometry to ground visual tokens in 3D space. In this work, we compare techniques for conditioning transformers on cameras: token-level raymap encodings, attention-level relative pose encodings, and a new relative encoding we propose—Projective Positional Encoding (PRoPE)—that captures complete camera frustums, both intrinsics and extrinsics, as a relative positional encoding. Our experiments begin by showing how relative conditioning methods improve performance in feedforward novel view synthesis, with further gains from PRoPE. This holds across settings: scenes with both shared and varying intrinsics, when combining token- and attention-level conditioning, and for generalization to inputs with out-of-distribution sequence lengths and camera intrinsics. We then verify that these benefits persist for different tasks, stereo depth estimation and discriminative spatial cognition, as well as larger model sizes.

Applications

Dhruv Agarwal, Bodhisattwa Prasad Majumder, Reece Adamson, Megha Chakravorty, Satvika Reddy Gavireddy, Aditya Parashar, Harshit Surana, Bhavana Dalvi Mishra, Andrew McCallum, Ashish Sabharwal 等

The promise of autonomous scientific discovery (ASD) hinges not only on answering questions, but also on knowing which questions to ask. Most recent works in ASD explore the use of large language models (LLMs) in goal-driven settings, relying on human-specified research questions to guide hypothesis generation. However, scientific discovery may be accelerated further by allowing the AI system to drive exploration by its own criteria. The few existing approaches in open-ended ASD select hypotheses based on diversity heuristics or subjective proxies for human interestingness, but the former struggles to meaningfully navigate the typically vast hypothesis space, and the latter suffers from imprecise definitions. This paper presents AutoDiscovery—a method for open-ended ASD that instead drives scientific exploration using Bayesian surprise. Here, we quantify the epistemic shift from the LLM’s prior beliefs about a hypothesis to its posterior beliefs after gathering experimental results. To efficiently explore the space of nested hypotheses, our method employs a Monte Carlo tree search (MCTS) strategy with progressive widening using surprisal as the reward function. We evaluate AutoDiscovery in the setting of data-driven discovery across 21 real-world datasets spanning domains such as biology, economics, finance, and behavioral science. Our results demonstrate that under a fixed budget, AutoDiscovery substantially outperforms competitors by producing 5-29% more discoveries deemed surprising by the LLM. Our human evaluation further reveals that two-thirds of discoveries made by our system are surprising to domain experts as well, suggesting this is an important step towards building open-ended ASD systems.

Theory · Game Theory

Kyriakos Lotidis, Panayotis Mertikopoulos, Nicholas Bambos, Jose Blanchet

In this paper, we examine the robustness of Nash equilibria in continuous games, under both strategic and dynamic uncertainty. Starting with the former, we introduce the notion of a robust equilibrium as those equilibria that remain invariant to small—but otherwise arbitrary—perturbations to the game’s payoff structure, and we provide a crisp geometric characterization thereof. Subsequently, we turn to the question of dynamic robustness, and we examine which equilibria may arise as stable limit points of the dynamics of “follow the regularized leader” (FTRL) in the presence of randomness and uncertainty. Despite their very distinct origins, we establish a structural correspondence between these two notions of robustness: strategic robustness implies dynamic robustness, and, conversely, the requirement of strategic robustness cannot be relaxed if dynamic robustness is to be maintained. Finally, we examine the rate of convergence to robust equilibria as a function of the underlying regularizer, and we show that entropically regularized learning converges at a geometric rate in games with affinely constrained action spaces.

Deep Learning · Everything Else

Marco Spinaci, Marek Polewczyk, Maximilian Schambach, Sam Thelin

Tabular in-context learning (ICL) has recently achieved state-of-the-art (SOTA) performance on several tabular prediction tasks. Previously restricted to classification problems on small tables, recent advances such as TabPFN and TabICL have extended its use to larger datasets. Although current table-native ICL architectures are architecturally efficient and well-adapted to tabular data structures, their exclusive training on synthetic data limits their ability to fully leverage the rich semantics and world knowledge contained in real-world tabular data. At the other end of the spectrum, tabular ICL models based on pretrained large language models such as TabuLa-8B integrate deep semantic understanding and world knowledge but are only able to make use of a small amount of context due to inherent architectural limitations. With the aim to combine the best of both these worlds, we introduce ConTextTab, integrating semantic understanding and alignment into a table-native ICL framework. By employing specialized embeddings for different data modalities and by training on large-scale real-world tabular data, our model is competitive with SOTA across a broad set of benchmarks while setting a new standard on the semantically rich CARTE benchmark. Code and model checkpoints are available at: https://github.com/SAP-samples/contexttab .

Applications · Neuroscience, Cognitive Science

Itamar Avitan, Tal Golan

Linearly transforming stimulus representations of deep neural networks yields high-performing models of behavioral and neural responses to complex stimuli. But does the test accuracy of such predictions identify genuine representational alignment? We addressed this question through a large-scale model-recovery study. Twenty diverse vision models were linearly aligned to 4.5 million behavioral judg- ments from the THINGS odd-one-out dataset and calibrated to reproduce human response variability. For each model in turn, we sampled synthetic responses from its probabilistic predictions, fitted all candidate models to the synthetic data, and tested whether the data-generating model would re-emerge as the best predictor of the simulated data. Model recovery accuracy improved with training-set size but plateaued below 80%, even at millions of simulated trials. Regression analyses linked misidentification primarily to shifts in representational geometry induced by the linear transformation, as well as to the effective dimensionality of the transformed features. These findings demonstrate that, even with massive behavioral data, overly flexible alignment metrics may fail to guide us toward artificial representations that are genuinely more human-aligned. Model comparison experiments must be designed to balance the trade-off between predictive accuracy and identifiability—ensuring that the best-fitting model is also the right one.

Deep Learning · Generative Models and Autoencoders

Dongwei Jiang, Bowei Zhang, Andrew Wang, Nicholas Andrews, Daniel Khashabi

Recent studies have shown LLMs possess some ability to improve their responses when given external feedback. However, it remains unclear how effectively and thoroughly these models can incorporate extrinsic feedback. In an ideal scenario, if LLMs receive near-perfect and complete feedback, we would expect them to fully integrate the feedback and reach correct solutions. In this paper, we systematically investigate LLMs’ ability to incorporate feedback by designing a controlled experimental environment. For each problem, a solver model attempts a solution, then a feedback generator with access to near-complete ground-truth answers produces targeted feedback, after which the solver tries again. We evaluate this pipeline across a diverse range of tasks, including math reasoning, knowledge reasoning, scientific reasoning, and general multi-domain evaluations with state-of-the-art language models including Claude 3.7 with extended thinking. Surprisingly, even under these near-ideal conditions, solver models consistently show resistance to feedback, a limitation that we term FEEDBACK FRICTION. To mitigate this limitation, we experiment with sampling-based strategies like progressive temperature increases and explicit rejection of previously attempted incorrect answers, which yield improvements but still fail to help models achieve target performance. We analyze FEEDBACK FRICTION and find that models’ confidence on specific questions, measured by semantic entropy, predicts feedback resistance: high-confidence predictions remain resistant to external correction. We hope that highlighting this issue in LLMs will help future research in self-improvement.

Social Aspects · Trustworthy Machine Learning

Hoki Kim, Keonwoo Kim, Sungwon Chae, Sangwon Yoon

Machine unlearning aims to remove the influence of specific training samples (i.e., forget data) from a trained model while preserving its performance on the remaining samples (i.e., retain data). Existing approximate unlearning approaches, such as fine-tuning or negative gradient, often suffer from either insufficient forgetting or significant degradation on retain data. In this paper, we introduce Unlearning-Aware Minimization (UAM), a novel min–max optimization framework for machine unlearning. UAM perturbs model parameters to maximize the forget loss and then leverages the corresponding gradients to minimize the retain loss. We derive an efficient optimization method for this min-max problem, which enables effective removal of forget data and uncovers better optima that conventional methods fail to reach. Extensive experiments demonstrate that UAM outperforms existing methods across diverse benchmarks, including image classification datasets (CIFAR-10, CIFAR-100, TinyImageNet) and multiple-choice question-answering benchmarks for large language models (WMDP-Bio, WMDP-Cyber).

Computer Vision · Vision Models & Multimodal

Qu Yang, Xiyang Li, Fu Lin, Mang Ye

Multimodal Intention Recognition (MIR) plays a critical role in applications such as intelligent assistants, service robots, and autonomous systems. However, in real-world settings, different modalities often vary significantly in informativeness, reliability, and noise levels. This leads to modality imbalance, where models tend to over-rely on dominant modalities, thereby limiting generalization and robustness. While existing methods attempt to alleviate this issue at either the sample or model level, most overlook its multi-level nature. To address this, we propose Adaptive Re-calibration Learning (ARL), a novel dual-path framework that models modality importance from both sample-wise and structural perspectives. ARL incorporates two key mechanisms: Contribution-Inverse Sample Calibration (CISC), which dynamically masks overly dominant modalities at the sample level to encourage attention to underutilized ones; and Weighted Encoder Calibration (WEC), which adjusts encoder weights based on global modality contributions to prevent overfitting. Experimental results on multiple MIR benchmarks demonstrate that ARL significantly outperforms existing methods in both accuracy and robustness, particularly under noisy or modality-degraded conditions.

Applications · Health

Eunbyeol Cho, Jiyoun Kim, Minjae Lee, Sungjin Park, Edward Choi

Electronic Health Records (EHR) are time-series relational databases that record patient interactions and medical events over time, serving as a critical resource for healthcare research and applications. However, privacy concerns and regulatory restrictions limit the sharing and utilization of such sensitive data, necessitating the generation of synthetic EHR datasets. Unlike previous EHR synthesis methods—which typically generate medical records consisting of expert-chosen features (e.g., a few vital signs, structured codes only)—we introduce RawMed, the first framework to synthesize multi-table, time-series EHR data that closely resembles raw EHRs. Using text-based representation and compression techniques, RawMed captures complex structures and temporal dynamics with minimal lossy preprocessing. We also propose a new evaluation framework for multi-table time-series synthetic EHRs, assessing distributional similarity, inter-table relationships, temporal dynamics, and privacy. Validated on two open-source EHR datasets, RawMed outperforms baseline models in fidelity and utility. The code is available at [https://github.com/eunbyeol-cho/RawMed](https://github.com/eunbyeol-cho/RawMed)