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Applications · Language, Speech and Dialog

Maojia Song, Liu Renhang, Xinyu Wang, Yong Jiang, Pengjun Xie, Fei Huang, Soujanya Poria, Jingren Zhou

RAG (Retrieval-Augmented Generation) systems and web agents are increasingly evaluated on multi-hop deep search tasks, yet current practice suffers from two major limitations. First, most benchmarks leak the reasoning path in the question text, allowing models to follow surface cues rather than discover reasoning chains autonomously. Second, evaluation is typically reduced to a single pass rate, which collapses diverse behaviors into one score and obscures whether failures stem from inadequate search, poor knowledge use, or inappropriate refusal. To address these issues, we present WebDetective, a benchmark of hint-free multi-hop questions paired with a controlled Wikipedia sandbox that ensures full traceability of model actions, and a holistic evaluation framework that separates search sufficiency, knowledge utilization, and refusal behavior. Our evaluation of 25 state-of-the-art models reveals systematic weaknesses across all architectures: models struggle with knowledge utilization despite having sufficient evidence and demonstrate near-absent appropriate refusal when evidence is lacking. These patterns expose a fundamental gap—today's systems excel at executing given reasoning paths but fail when required to discover them. We develop an agentic workflow EvidenceLoop that explicitly targets the challenges our benchmark identifies, incorporating verification loops and systematic evidence tracking that improve both search and synthesis capabilities. This baseline demonstrates that WebDetective's diagnostic framework can guide concrete architectural improvements, establishing our benchmark as a critical tool for developing genuinely autonomous reasoning systems rather than pattern-following agents.

General Machine Learning · Transfer, Multitask and Meta-learning

Wenhao Li, Yudong Xu, Elias Khalil, Scott Sanner

We study the neural program synthesis of $\textit{parameterized}$ function families through the lens of meta-learning with hypernetworks. Given a user intent $U$, a meta-learner $M_{\phi}$ produces a full weight set $\hat{\theta}=M_{\phi}(U)$ for a target neural network with fixed architecture $S$, and the instantiated network $m_{S,\hat{\theta}}(X)\to Y$ realizes the behavior intended for $U$. Classical hypernetworks typically $\textit{ignore the target network’s structure}$ and emit a flat list of weights; as a consequence, they fail to account for $\textit{neuron-permutation symmetry}$—many distinct parameterizations of $S$ implement the same function—so equivalent solutions are treated as different targets, fragmenting supervision and hurting out-of-distribution generalization. To address this, we propose $\textit{Meta-GNN}$, a hypernetwork that constructs a $\textit{neural graph}$ from the target architecture $S$ and applies $\textbf{structure-aware}$ message passing with parameter-tied encoders and decoders. This design reduces the search space during learning by collapsing equivalent classes of target networks, without loss of expressivity. Empirically, across modular arithmetic ($\textit{AddMod}$-$p$), array operations ($\textit{SumFirst}$-$n$), and inverse-rule tasks from 1D-ARC, $\textit{Meta-GNN}$ substantially improves learning and $\textbf{out-of-distribution generalization}$ compared to classic hypernetworks and direct $(U,X)\to Y$ baselines. Mechanistic analyses reveal $\textit{what is learned}$: on $\textit{AddMod}$-$p$ the synthesized Transformers recover the canonical clock representation and admit a compact closed-form map $U\mapsto\theta$. These results demonstrate that structure-aware Meta-GNNs enable reliable generalization to $\textit{unseen program parameterizations}$, providing a critical advance for the nascent field of neural program synthesis.

Social Aspects · Accountability, Transparency and Interpretability

Manuel Cherep, Chengtian Ma, Abigail Xu, Maya Shaked, Pattie Maes, Nikhil Singh

Environments built for people are increasingly operated by a new class of economic actors: LLM-powered software agents making decisions on our behalf. These decisions range from our purchases to travel plans to medical treatment selection. Current evaluations of these agents largely focus on task competence, but we argue for a deeper assessment: how these agents choose when faced with realistic decisions. We introduce ABxLab, a framework for systematically probing agentic choice through controlled manipulations of option attributes and persuasive cues. We apply this to a realistic web-based shopping environment, where we vary prices, ratings, and psychological nudges, all of which are factors long known to shape human choice. We find that agent decisions shift predictably and substantially in response, revealing that agents are strongly biased choosers even without being subject to the cognitive constraints that shape human biases. This susceptibility reveals both risk and opportunity: risk, because agentic consumers may inherit and amplify human biases; opportunity, because consumer choice provides a powerful testbed for a behavioral science of AI agents, just as it has for the study of human behavior. We release our framework as an open benchmark for rigorous, scalable evaluation of agent decision-making.

Daiki Chijiwa, Taku Hasegawa, Kyosuke Nishida, Shin'ya Yamaguchi, Tomoya Ohba, Tamao Sakao, Susumu Takeuchi

Tokenization---the process of decomposing a given text into a sequence of subwords called *tokens*---is one of the key components in the development of language models. Particularly, auto-regressive language models generate texts token by token, i.e., by predicting the next-token distribution given the previous ones, and thus tokenization directly affects their efficiency in text generation. Since each language model has their own vocabulary as a set of possible tokens, they struggle to cooperate with each other at the level of next-token distributions such as model ensemble. In this paper, we establish a theoretical framework of lossless vocabulary reduction, which efficiently converts a given auto-regressive language model into the one with an arbitrarily small vocabulary without any loss in accuracy. This framework allows language models with different tokenization to cooperate with each other efficiently by reduction to their maximal common vocabulary. Specifically, we empirically demonstrate its applicability to model ensemble with different tokenization.

Applications · Time Series

Shifeng Xie, Vasilii Feofanov, Jianfeng Zhang, Themis Palpanas, Ievgen Redko

Time series foundation models (TSFMs) have recently gained significant attention due to their strong zero-shot capabilities and widespread real-world applications. Such models typically require a computationally costly pretraining on large-scale, carefully curated collections of real-world sequences. To allow for a sample-efficient pretraining of TSFMs, we propose CauKer, a novel algorithm designed to generate diverse, causally coherent synthetic time series with realistic trends, seasonality, and nonlinear interactions. CauKer combines Gaussian Process (GP) kernel composition with Structural Causal Models (SCM) to produce data for sample-efficient pretraining of state-of-the-art classification TSFMs having different architectures and following different pretraining approaches. Additionally, our experiments reveal that CauKer-generated datasets exhibit clear scaling laws for both dataset size (10K to 10M samples) and model capacity (1M to 783M parameters), unlike real-world datasets, which display irregular scaling behavior.

Theory · Reinforcement Learning and Planning

Michael Muehlebach, Zhiyu He, Michael Jordan

We study the sample complexity of online reinforcement learning in the general non-episodic setting of nonlinear dynamical systems with continuous state and action spaces. Our analysis accommodates a large class of dynamical systems ranging from a finite set of nonlinear candidate models to models with bounded and Lipschitz continuous dynamics, to systems that are parametrized by a compact and real-valued set of parameters. In the most general setting, our algorithm achieves a policy regret of $\mathcal{O}(N \epsilon^2 + d_\mathrm{u}\mathrm{ln}(m(\epsilon))/\epsilon^2)$, where $N$ is the time horizon, $\epsilon$ is a user-specified discretization width, $d_\mathrm{u}$ the input dimension, and $m(\epsilon)$ measures the complexity of the function class under consideration via its packing number. In the special case where the dynamics are parametrized by a compact and real-valued set of parameters (such as neural networks, transformers, etc.), we prove a policy regret of $\mathcal{O}(\sqrt{d_\mathrm{u}N p})$, where $p$ denotes the number of parameters, recovering earlier sample-complexity results that were derived for *linear* *time-invariant* dynamical systems. While this article focuses on characterizing sample complexity, the proposed algorithms are likely to be useful in practice, due to their simplicity, their ability to incorporate prior knowledge, and their benign transient behaviors.

Deep Learning · Algorithms

Stefan Schoepf, Michael Mozer, Nicole Mitchell, Alexandra Brintrup, Georgios Kaissis, Peter Kairouz, Eleni Triantafillou

Machine unlearning is studied for a multitude of tasks, but specialization of unlearning methods to particular tasks has made their systematic comparison challenging. To address this issue, we propose a conceptual space to characterize diverse corrupted data unlearning tasks in vision classifiers. This space is described by two dimensions, the discovery rate (the fraction of the corrupted data that are known at unlearning time) and the statistical regularity of the corrupted data (from random exemplars to shared concepts). Methods proposed previously have been targeted at portions of this space and, as we show, fail predictably outside these regions. We propose Redirection for Erasing Memory (REM), whose key feature is that corrupted data are redirected to dedicated neurons introduced at unlearning time and then discarded or deactivated to suppress the influence of corrupted data. REM performs strongly across the space of tasks, in contrast to prior SOTA methods that fail outside the regions for which they were designed.

Applications · Physics

Zeyuan Song, Zheyu Jiang

Accurately solving partial differential equations (PDEs) on arbitrary geometries and a variety of meshes is an important task in science and engineering applications. In this paper, we propose Adaptive Mamba Neural Operators (AMO), which integrates reproducing kernels for state-space models (SSMs) rather than the kernel integral formulation of SSMs. This is achieved by constructing Takenaka-Malmquist systems for the PDEs. AMO offers new representations that align well with the adaptive Fourier decomposition (AFD) theory and can approximate the solution manifold of PDEs on a wide range of geometries and meshes. In several challenging benchmark PDE problems in the fields of fluid physics, solid physics, and finance on point clouds, structured meshes, regular grids, and irregular domains, AMO consistently outperforms state-of-the-art solvers in terms of relative $L^2$ error. Overall, this work presents a new paradigm for designing explainable neural operator frameworks. The code is available at https://github.com/checlams/AMO.

General Machine Learning · Probabilistic Methods

Wenbin Zhou, Agni Orfanoudaki, Shixiang Zhu

High-stakes decisions in healthcare, energy, and public policy have long depended on human expertise and heuristics, but are now increasingly supported by predictive and optimization-based tools. A prevailing paradigm in operations research is predict-then-optimize, where predictive models estimate uncertain inputs and optimization models recommend decisions. However, such approaches often sideline human judgment, creating a disconnect between algorithmic outputs and expert intuition that undermines trust and adoption in practice. To bridge this gap, we propose CREDO, a framework that, for any candidate decision proposed by human experts, provides a distribution-free upper bound on the probability of suboptimality---informed by both the optimization structure and the data distribution. By combining inverse optimization geometry with conformal generative prediction, CREDO delivers statistically rigorous yet practically interpretable risk certificates. This framework allows human decision-makers to audit and validate their decisions under uncertainty, strengthening the alignment between algorithmic tools and human intuition.

Computer Vision · Vision Models & Multimodal

Zhehan Kan, Xin Li, Yanlin Liu, Xiaochen Yang, Xinghua Jiang, Yinsong Liu, Deqiang Jiang, Xing Sun, Qingmin Liao, Wenming Yang

Multimodal Large Language Models (MLLMs) have achieved remarkable success in vision-language tasks, yet they frequently exhibit suboptimal output layers, where intermediate decoder layers outperform the final ones, signaling underutilized model capacity. In this work, we delve into the root causes and attribute this issue to the Visual Attention Re-sinking phenomenon, precipitated by attention gradient sparsity driven by textual supervision dominance. This degradation causes attention heads to evolve into sink heads that prioritize low-semantic backgrounds, thereby disrupting modality fusion, neglecting visual information, and biasing outputs toward textual priors, ultimately impairing model performance. To mitigate this, we introduce a parameter-free Sink Attention Dynamic Sparsification (SADS) framework that dynamically identifies and retains all vision heads(concentrating visual attention on semantically relevant regions) while sparsifying sink heads, preserving essential global context through a shared head. Integrated into diverse MLLMs, our framework yields substantial performance gains across 20 benchmarks spanning five task categories (visual grounding, general VQA, OCR-related VQA, vision-centric tasks, and visual hallucination mitigation) surpassing supervised fine-tuning while boosting inference speed by 10.3\%. This approach offers a novel avenue for maximizing MLLMs capabilities.

Applications · Robotics

Xueyi Liu, He Wang, Li Yi

Achieving generalized in-hand object rotation remains a significant challenge in robotics, largely due to the difficulty of transferring policies from simulation to the real world. The complex, contact-rich dynamics of dexterous manipulation create a "reality gap" that has limited prior work to constrained scenarios involving simple geometries, limited object sizes and aspect ratios, constrained wrist poses, or customized hands. We address this sim-to-real challenge with a novel framework that enables a single policy, trained in simulation, to generalize to a wide variety of objects and conditions in the real world. The core of our method is a joint-wise dynamics model that learns to bridge the reality gap by effectively fitting limited amount of real-world collected data and then adapting the sim policy’s actions accordingly. The model is highly data‑efficient and generalizable across different whole‑hand interaction distributions by factorizing dynamics across joints, compressing system-wide influences into low‑dimensional variables, and learning each joint’s evolution from its own dynamic profile, implicitly capturing these net effects. We pair this with a fully autonomous data collection strategy that gathers diverse, real-world interaction data with minimal human intervention. Our complete pipeline demonstrates unprecedented generality: a single policy successfully rotates challenging objects with complex shapes (*e.g.*, animals), high aspect ratios (up to 5.33), and small sizes, all while handling diverse wrist orientations and rotation axes. Comprehensive real-world evaluations and a teleoperation application for complex tasks validate the effectiveness and robustness of our approach. Website: [DexNDM](https://meowuu7.github.io/DexNDM/).

Social Aspects · Fairness, Equity, Justice and Safety

Sanidhya Vijayvargiya, Aditya Soni, Xuhui Zhou, Zora Zhiruo Wang, Nouha Dziri, Graham Neubig, Maarten Sap

Recent advances in LLM agents capable of solving complex, everyday tasks, ranging from software engineering to customer service, have enabled deployment in real-world scenarios, but their possibilities for unsafe behavior demands rigorous evaluation. While prior benchmarks have attempted to evaluate safety of LLM agents, most fall short by relying on simulated environments, narrow task domains, or unrealistic tool abstractions. We introduce OpenAgentSafety, a comprehensive and modular framework for evaluating agent behavior across eight critical risk categories. Unlike prior work, our framework evaluates agents that interact with real tools, including web browser, code execution environment, file system, bash terminal, and messaging platform; and supports over 350 multi-turn, multi-user tasks spanning both benign and adversarial user intents. OpenAgentSafety is designed for extensibility, allowing researchers to add tools, tasks, web environments, and adversarial strategies with minimal effort. It combines rule-based evaluation with LLM-as-judge assessments to detect both overt and subtle unsafe behaviors. Empirical analysis of seven prominent LLMs in agentic scenarios reveals unsafe behavior in 49% of safety-vulnerable tasks with Claude Sonnet 4, to 73% with o3-mini, highlighting critical risks and the need for stronger safeguards before real-world deployment of LLM agents.

Optimization · Large Scale, Parallel and Distributed

Ziru Niu, Hai Dong, A. K. Qin

Federated Learning (FL) is a privacy-preserving machine learning framework facilitating collaborative training across distributed clients. However, its performance is often compromised by data heterogeneity among participants, which can result in local models with limited generalization capability. Traditional model-homogeneous approaches address this issue primarily by regularizing local training procedures or dynamically adjusting client weights during aggregation. Nevertheless, these methods become unsuitable in scenarios involving clients with heterogeneous model architectures. In this paper, we propose a model-heterogeneous FL framework that enhances clients’ generalization performance on unseen data without relying on parameter aggregation. Instead of model parameters, clients share feature distribution statistics (mean and covariance) with the server. Then each client trains a variational transposed convolutional neural network using Gaussian latent variables sampled from these distributions, and use it to generate synthetic data. By fine-tuning local models with the synthetic data, clients achieve significant improvement of generalization ability. Experimental results demonstrate that our approach not only attains higher generalization accuracy compared to existing model-heterogeneous FL frameworks, but also reduces communication costs and memory consumption.

Computer Vision · Vision Models & Multimodal

Yansong Shi, Qingsong Zhao, Tianxiang Jiang, Xiangyu Zeng, Yi Wang, Limin Wang

Multimodal large language models (MLLMs) have demonstrated impressive capabilities, yet nearly all operate in an offline paradigm, hindering their real-time interactivity. To address this gap, we introduce the Real-tIme intERaction Benchmark for Video LLMs (RIVER Bench), designed for evaluating their real-time interaction ability with humans through perceiving the streaming videos. RIVER Bench introduces a novel evaluation framework comprising Retrospective Memory, Live-Perception, and Proactive Response tasks, closely mimicking interactive dialogues with humans rather than understanding the entire videos at once. We conduct detailed annotations using videos from diverse sources and varying lengths, and precisely defined the real-time interactive format. Evaluations across various model categories reveal that while offline models perform well in single question-answering tasks, they struggle with real-time processing. Addressing the limitations of existing models in online interaction paradigm, especially their deficiencies in long-term memory and future perception, we proposed a general improvement method that enhances models’ flexibility in real-time interaction. We believe this work will significantly advance the development of real-time interactive video understanding models and inspire future research in this emerging field. The code and data will be released.

Deep Learning · Everything Else

Zhiguo Yang, Changjian Deng, Qinke Chen, Zijing Zhou, Jian Cheng

Deploying large language models (LLMs) on platforms with insufficient computational resources remains a key challenge. Weight pruning is an efficient model compression technique that can reduce model size without retraining LLMs. However, due to the massive number of parameters, it is infeasible to estimate the importance of weights globally, and most prior studies assign a uniform sparsity ratio across all layers. Recent findings reveal that layers contribute unevenly to LLM performance, making it necessary to investigate Layer-wise importance. Existing Layer-wise sparsity allocation methods, such as OWL and DLP, rely on weight scoring and carefully designed score proxies to estimate Layer-wise importance and sparsity ratios, while enforcing identical sparsity to blocks and projection weights within a layer to avoid performance degradation. In this work, we propose Layer-wise Sparsity Allocation (LSA) for LLM pruning, which quantifies Layer-wise importance by evaluating the minimal linear reconstruction error (LSE) of each transformer layer under the assumption that 50\% of its least important weights are removed. Moreover, our method supports non-uniform sparsity allocation at block- or projection-level granularity within layers, without incurring catastrophic performance degradation. Experimental results demonstrate that LSA maintains high performance at high sparsity levels. At an overall sparsity ratio of 70\%, LSA surpasses state-of-the-art methods across language modeling tasks and seven zero-shot tasks.

Zecheng Tang, Ji Baibei, Juntao Li, Lijun Wu, Haijia Gui, Min Zhang

Long-context models (LCMs) have demonstrated great potential in processing long sequences, facilitating many real-world applications. The success of LCMs can be attributed to their ability to locate implicit critical information within the context for further prediction. However, recent research reveals that LCMs are often susceptible to contextual noise, i.e., irrelevant tokens, that can mislead model attention. In this paper, we conduct a fine-grained analysis of the context noise and propose an effective metric, the Integrated Gradient (IG) score, to detect and quantify the noise information within the context. Our findings reveal that even simple mitigation of detected context noise can substantially boost the model's attention on critical tokens and benefit subsequent predictions. Building on this insight, we propose Context Denoising Training (CDT), a straightforward yet effective training strategy that improves attention on critical tokens while reinforcing their influence on model predictions. Extensive experiments across four tasks, under both context window scaling and long-context alignment settings, demonstrate the superiority of CDT. Notably, when trained with CDT, an open-source 8B model can achieve performance (50.92) comparable to GPT-4o (51.00).

Applications · Chemistry and Drug Discovery

Yunfan Liu, Lirong Wu, Zhifeng Gao, Yufei Huang, Cheng Tan, Haitao Lin, Zicheng Liu, Changxi Chi, Chang Yu, Stan Z Li

Designing 3D ligands that bind to a given protein pocket with high affinity is a fundamental task in Structure-Based Drug Design (SBDD). However, the lack of synthesizability of 3D ligands has been hindering progress toward experimental validation; moreover, computationally evaluating synthesizability is a non-trivial task. In this paper, we first benchmark eight classical synthesizability metrics across 11 SBDD methods. The comparison reveals significant inconsistencies between these metrics, making them impractical and inaccurate criteria for guiding SBDD methods toward synthesizable drug design. Therefore, we propose a simple yet effective SE(3)-invariant \textit{\underline{SYN}thesizability \underline{C}lassifier} (SYNC) to enable better synthesizability estimation in SBDD, which demonstrates superior generalizability and speed compared to existing metrics on five curated datasets. Finally, with SYNC as a plug-and-play module, we establish a synthesizability classifier-driven SBDD paradigm through guided diffusion and Direct Preference Optimization, where highly synthesizable molecules are directly generated without compromising binding affinity. Extensive experiments also demonstrate the effectiveness of SYNC and the advantage of our paradigm in synthesizable SBDD. Code is available at \url{https://github.com/XYxiyang/SYNC}.

Computer Vision · Everything Else

Saihui Hou, Chenye Wang, Wenpeng Lang, Zhengxiang Lan, Yongzhen Huang

Recent advancements in gait recognition have significantly enhanced performance by treating silhouettes as either an unordered set or an ordered sequence. However, both set-based and sequence-based approaches exhibit notable limitations. Specifically, set-based methods tend to overlook short-range temporal context for individual frames, while sequence-based methods struggle to capture long-range temporal dependencies effectively. To address these challenges, we draw inspiration from human identification and propose a new perspective that conceptualizes human gait as a composition of individualized actions. Each action is represented by a series of frames, randomly selected from a continuous segment of the sequence, which we term a snippet. Fundamentally, the collection of snippets for a given sequence enables the incorporation of multi-scale temporal context, facilitating more comprehensive gait feature learning. Moreover, we introduce a non-trivial solution for snippet-based gait recognition, focusing on Snippet Sampling and Snippet Modeling as key components. Extensive experiments on four widely-used gait datasets validate the effectiveness of our proposed approach and, more importantly, highlight the potential of gait snippets. For instance, our method achieves the rank-1 accuracy of 77.5% on Gait3D and 81.7% on GREW using a 2D convolution-based backbone.

Applications · Language, Speech and Dialog

Mohammad Tavakoli, Alireza Salemi, Carrie Ye, Mohamed Abdalla, Hamed Zamani, J Mitchell

Evaluating the abilities of large language models (LLMs) for tasks that require long-term memory and thus long-context reasoning, for example in conversational settings, is hampered by the existing benchmarks, which often lack narrative coherence, cover narrow domains, and only test simple recall-oriented tasks. This paper introduces a comprehensive solution to these challenges. First, we present a novel framework for automatically generating long (up to 10M tokens), coherent, and topically diverse conversations, accompanied by probing questions targeting a wide range of memory abilities. From this, we construct BEAM, a new benchmark comprising 100 conversations and 2,000 validated questions. Second, to enhance model performance, we propose LIGHT–a framework inspired by human cognition that equips LLMs with three complementary memory systems: a long-term episodic memory, a short-term working memory, and a scratchpad for accumulating salient facts. Our experiments on BEAM reveal that even LLMs with 1M token context windows (with and without retrieval-augmentation) struggle as dialogues lengthen. In contrast, LIGHT consistently improves performance across various models, achieving an average improvement of 3.5%–12.69% over the strongest baselines, depending on the backbone LLM. An ablation study further confirms the contribution of each memory component.

Applications · Everything Else

Yulong Hui, Chao Chen, Zhihang Fu, Yihao Liu, Jieping Ye, Huanchen Zhang

Retrieval-Augmented Generation (RAG) has significantly enhanced LLMs by incorporating external information. However, prevailing agentic RAG approaches are constrained by a critical limitation: they treat the retrieval process as a black-box querying operation. This confines agents' actions to query issuing, hindering its ability to tackle complex information-seeking tasks. To address this, we introduce Interact-RAG, a new paradigm that elevates the LLM agent from a passive query issuer into an active manipulator of the retrieval process. We dismantle the black-box with a Corpus Interaction Engine, equipping the agent with a set of action primitives for fine-grained control over information retrieval. To further empower the agent on the entire RAG pipeline, we first develop a reasoning-enhanced workflow, which enables both zero-shot execution and the synthesis of interaction trajectories. We then leverage this synthetic data to train a fully autonomous end-to-end agent via Supervised Fine-Tuning (SFT), followed by refinement with Reinforcement Learning (RL). Extensive experiments across six benchmarks demonstrate that Interact-RAG significantly outperforms other advanced methods, validating the efficacy of our reasoning-interaction strategy.