NeurIPS 2025 Papers

Data filtering has become a powerful tool for improving model performance while reducing computational cost. However, as large language model compute budgets continue to grow, the limited data volume provided by heavily filtered and deduplicated datasets will become a practical constraint. In efforts to better understand how to proceed, we study model performance at various compute budgets and across multiple pre-training datasets created through data filtering and deduplication. We find that, given appropriate modifications to the training recipe, repeating existing aggressively filtered datasets for up to ten epochs can outperform training on the ten times larger superset for a single epoch across multiple compute budget orders of magnitude. While this finding relies on repeating the dataset for many epochs, we also investigate repeats within these datasets at the document level. We find that not all documents within a dataset are equal, and we can create better datasets relative to a token budget by explicitly manipulating the counts of individual documents. We conclude by arguing that even as large language models scale, data filtering remains an important direction of research.

We propose Heterogeneous Swarms, an algorithm to design multi-LLM systems by jointly optimizing model roles and weights. We represent multi-LLM systems as directed acyclic graphs (DAGs) of LLMs with topological message passing for collaborative generation. Given a pool of LLM experts and a utility function, Heterogeneous Swarms employs two iterative steps: role-step and weight-step. For role-step, we interpret model roles as learning a DAG that specifies the flow of inputs and outputs between LLMs. Starting from a swarm of random continuous adjacency matrices, we decode them into discrete DAGs, call the LLMs in topological order, evaluate on the utility function (e.g. accuracy on a task), and optimize the adjacency matrices with particle swarm optimization based on the utility score. For weight-step, we assess the contribution of individual LLMs in the multi-LLM systems and optimize model weights with swarm intelligence. We propose JFK-score to quantify the individual contribution of each LLM in the best-found DAG of the role-step, then optimize model weights with particle swarm optimization based on the JFK-score. Experiments demonstrate that Heterogeneous Swarms outperforms 17 role- and/or weight-based baselines by 18.5% on average across 12 tasks. Further analysis reveals that Heterogeneous Swarms discovers multi-LLM systems with heterogeneous model roles and substantial collaborative gains, and benefits from the diversity of language models.

Large language models (LLMs) are trained on a vast amount of human-written data, but data providers often remain uncredited. In response to this issue, data valuation (or data attribution), which quantifies the contribution or value of each data to the model output, has been discussed as a potential solution. Nevertheless, applying existing data valuation methods to recent LLMs and their vast training datasets has been largely limited by prohibitive compute and memory costs. In this work, we focus on influence functions, a popular gradient-based data valuation method, and significantly improve its scalability with an efficient gradient projection strategy called LoGra that leverages the gradient structure in backpropagation. We then provide a theoretical motivation of gradient projection approaches to influence functions to promote trust in the data valuation process. Lastly, we lower the barrier to implementing data valuation systems by introducing LogIX, a software package that can transform existing training code into data valuation code with minimal effort. In our data valuation experiments, LoGra achieves competitive accuracy against more expensive baselines while showing up to 6,500x improvement in throughput and 5x reduction in GPU memory usage when applied to Llama3-8B-Instruct and the 1B-token dataset.

Training agents to operate under strict constraints during deployment, such as limited resource budgets or stringent safety requirements, presents significant challenges, especially when these constraints render the task complex. In this work, we propose a curriculum learning strategy that gradually tightens constraints during training, enabling the agent to incrementally master the deployment requirements. Inspired by self-paced learning techniques in unconstrained reinforcement learning (RL), our approach facilitates a smoother transition to challenging environments by initially training on simplified versions of the constraints and progressively introducing the full deployment conditions. We provide a theoretical analysis using an RL agent in a binary-tree Markov Decision Process (MDP) to demonstrate that our curriculum strategy can accelerate training relative to a baseline approach that imposes the trajectory constraints from the outset. Moreover, we empirically validate the effectiveness and generality of our method across both RL and large language model (LLM) agents in diverse settings, including a binary-tree MDP, a multi-task navigation domain, and a math reasoning task with two benchmarks. These results highlight the potential of curriculum design in enhancing the efficiency and performance of agents operating under complex trajectory constraints during deployment. Moreover, when applied to LLMs, our strategy enables compression of output chain-of-thought tokens, achieving a substantial inference speedup on consumer hardware, demonstrating its effectiveness for resource-constrained deployment.

The advent of large language models (LLMs) offers unprecedented opportunities to reimagine peer review beyond the constraints of traditional workflows. Despite these opportunities, prior efforts have largely focused on replicating traditional review workflows with LLMs serving as direct substitutes for human reviewers, while limited attention has been given to exploring new paradigms that fundamentally rethink how LLMs can participate in the academic review process. In this paper, we introduce and explore a novel mechanism that employs LLM agents to perform pairwise comparisons among manuscripts instead of individual scoring. By aggregating outcomes from substantial pairwise evaluations, this approach enables a more accurate and robust measure of relative manuscript quality. Our experiments demonstrate that this comparative approach significantly outperforms traditional rating-based methods in identifying high-impact papers. However, our analysis also reveals emergent biases in the selection process, notably a reduced novelty in research topics and an increased institutional imbalance. These findings highlight both the transformative potential of rethinking peer review with LLMs and critical challenges that future systems must address to ensure equity and diversity.

Multi-agent reinforcement learning in mixed-motive settings presents a fundamental challenge: agents must balance individual interests with collective goals, which are neither fully aligned nor strictly opposed. To address this, reward restructuring methods such as gifting and intrinsic motivation have been proposed. However, these approaches primarily focus on promoting cooperation by managing the trade-off between individual and collective returns, without explicitly addressing fairness with respect to agents’ task-specific rewards. In this paper, we propose an adaptive conflict-aware gradient adjustment method that promotes cooperation while ensuring fairness in individual rewards. The proposed method dynamically balances policy gradients derived from individual and collective objectives in situations where the two objectives are in conflict. By explicitly resolving such conflicts, our method improves collective performance while preserving fairness across agents. We provide theoretical results that guarantee monotonic non-decreasing improvement in both the collective and individual objectives and ensure fairness. Empirical results in sequential social dilemma environments demonstrate that our approach outperforms baselines in terms of social welfare, while maintaining fairness.

Multimodal agents, which integrate a controller (e.g., a vision language model) with external tools, have demonstrated remarkable capabilities in tackling complex multimodal tasks. Existing approaches for training these agents, both supervised fine-tuning and reinforcement learning, depend on extensive human-annotated task-answer pairs and tool trajectories. However, for complex multimodal tasks, such annotations are prohibitively expensive or impractical to obtain. In this paper, we propose an iterative tool usage exploration method for multimodal agents without any pre-collected data, namely SPORT, via step-wise preference optimization to refine the trajectories of tool usage. Our method enables multimodal agents to autonomously discover effective tool usage strategies through self-exploration and optimization, eliminating the bottleneck of human annotation. SPORT has four iterative components: task synthesis, step sampling, step verification, and preference tuning. We first synthesize multimodal tasks using language models. Then, we introduce a novel trajectory exploration scheme, where step sampling and step verification are executed alternately to solve synthesized tasks. In step sampling, the agent tries different tools and obtains corresponding results. In step verification, we employ a verifier to provide AI feedback to construct step-wise preference data. The data is subsequently used to update the controller for tool usage through preference tuning, producing a SPORT agent. By interacting with real environments, the SPORT agent gradually evolves into a more refined and capable system. Evaluation in the GTA and GAIA benchmarks shows that the SPORT agent achieves 6.41% and 3.64% improvements, underscoring the generalization and effectiveness introduced by our method.

Multi-agent large language model (LLM) systems are increasingly adopted for complex language processing tasks that require communication and coordination among agents. However, these systems often suffer substantial overhead from repeated reprocessing of overlapping contexts across agents. In typical pipelines, once an agent receives a message from its predecessor, the full context-including prior turns-must be reprocessed from scratch, leading to inefficient processing. While key-value (KV) caching is an effective solution for avoiding redundant computation in single-agent settings where prefixes remain unchanged, it cannot be directly reused in multi-agent scenarios due to diverging prefixes introduced by agent-specific context extensions. We identify that the core challenge lies in the offset variance of KV-caches across agents. To address this, we propose **KVCOMM**, a training-free framework that enables efficient prefilling in multi-agent inference by reusing KV-caches and aligning cache offsets of overlapping contexts under diverse prefix contexts. KVCOMM estimates and adjusts KV-caches for shared content by referencing a pool of cached examples—termed *anchors*—that store observed cache deviations under varying prefixes. The anchor pool is maintained and updated online, allowing dynamic adaptation to distinct user requests and context structures. KVCOMM achieves over 70% reuse rate across diverse multi- agent workloads, including retrieval-augmented generation, math reasoning, and collaborative coding tasks, all without quality degradation. Particularly, when each fully-connected agent receives 1K input tokens with 512 prefix tokens and 512 output tokens under a five-agent setting, KVCOMM achieves up to 7.8× speedup compared to the standard prefill pipeline, reducing TTFT from ∼430ms to ∼55ms. Code is available at https://github.com/FastMAS/KVCOMM.

Large Language Model (LLM) agents have demonstrated impressive capabilities for social interaction and are increasingly being deployed in situations where they might engage with both human and artificial agents. These interactions represent a critical frontier for LLM-based agents, yet existing evaluation methods fail to measure how well these capabilities generalize to novel social situations. In this paper, we introduce a method for evaluating the ability of LLM-based agents to cooperate in zero-shot, mixed-motive environments using Concordia, a natural language multi-agent simulation environment. Our method measures general cooperative intelligence by testing an agent's ability to identify and exploit opportunities for mutual gain across diverse partners and contexts. We present empirical results from the NeurIPS 2024 Concordia Contest, where agents were evaluated on their ability to achieve mutual gains across a suite of diverse scenarios ranging from negotiation to collective action problems. Our findings reveal significant gaps between current agent capabilities and the robust generalization required for reliable cooperation, particularly in scenarios demanding persuasion and norm enforcement.

Large Language Models (LLMs) are increasingly bring deployed in agentic settings where they act as collaborators with humans. Therefore, it is increasingly important to be able to evaluate their abilities to collaborate effectively in multi-turn, multi-party tasks. In this paper, we build on the AI alignment and “safe interruptability” literature to offer novel theoretical insights on collaborative behavior between LLM-driven *collaborator agents* and an *intervention agent*. Our goal is to learn an ideal “partner-aware” collaborator that increases the group’s common-ground (CG)—alignment on task-relevant propositions—by intelligently collecting information provided in *interventions* by a partner agent.We show how LLM agents trained using standard RLHF and related approaches are naturally inclined to ignore possibly well-meaning interventions, which makes increasing group common ground non-trivial in this setting. We employ a two-player Modified-Action MDP to examine this suboptimal behavior of standard AI agents, and propose **Interruptible Collaborative Roleplayer (ICR)**—a novel “partner-aware” learning algorithm to train CG-optimal collaborators. Experiments on multiple collaborative task environments show that ICR, on average, is more capable of promoting successful CG convergence and exploring more diverse solutions in such tasks.

A major challenge in training VLM agents, compared to LLM agents, is that states shift from simple texts to complex visual observations, which introduces partial observability and demands robust world modeling. We ask: can VLM agents build internal world models through explicit visual state reasoning? In this work, we architecturally enforce and reward VLM agent’s reasoning process via reinforcement learning (RL), formulating the problem as a Partially Observable Markov Decision Process (POMDP). We demonstrate that structuring agent’s reasoning into StateEstimation (“what is the current state?”) and TransitionModeling (“what is next?”) is critical by studying five reasoning strategies. Investigating how agents should ground visual states and represent these internal beliefs, we reveal the optimal representations are task-dependent: Natural Language excels at capturing semantic relationships for general tasks, while Structured formats are essential for high-precision manipulation. These insights motivate our approach to reward shaping and credit assignment. We leverage a WorldModeling Reward to densely rewards the agent’s turn-by-turn state predictions, while our Bi-Level General Advantage Estimation (Bi-Level GAE) enables turn-aware credit assignment. Through such world model reasoning, we enable a 3B model to achieve performance of 0.82 on a set of five diverse agent tasks, nearly 3× improvement over its untrained counterpart (0.21) and surpassing proprietary reasoning models like GPT-5 (0.75), Gemini 2.5 Pro (0.67) and Claude 4.5 (0.62). All experiments are supported by our VAGEN framework, a scalable system for training and analyzing multi-turn VLM agents across diverse visual environments

Multi-view clustering integrates the consistency and complementarity of different views to achieve unsupervised data grouping. Existing multi-view clustering methods primarily confront two challenges: i) they generally perform feature extraction in the feature domain, which is sensitive to noise and may neglect cluster-specific information that is indistinguishable in the original space; ii) current dynamic fusion methods adopt static strategies to learn weights, lacking capability to adjust strategies adaptively under complex scenarios according to variations in data distribution and view quality. To address these issues, we propose a large language model assisted dynamic agent for multi-view clustering (LLM-DAMVC), a novel framework that recasts multi-view clustering as a dynamic decision-making problem orchestrated by a large language model. Specifically, each view is equipped with complementary agents dedicated to feature extraction. A dual-domain contrastive module is introduced to optimize feature consistency and enhance cluster separability in both the feature domain and frequency domain. Additionally, an LLM-assisted view fusion mechanism provides a flexible fusion weight learning strategy that can be adaptively applied to complex scenarios and significantly different views. Extensive experimental results validate the effectiveness and superiority of the proposed method.

Multi-agent reinforcement learning (MARL), as a thriving field, explores how multiple agents independently make decisions in a shared dynamic environment. Due to environmental uncertainties, policies in MARL must remain robust to tackle the sim-to-real gap. We focus on robust two-player zero-sum Markov games (TZMGs) in offline settings, specifically on tabular robust TZMGs (RTZMGs). We propose a model-based algorithm (*RTZ-VI-LCB*) for offline RTZMGs, which is optimistic robust value iteration combined with a data-driven Bernstein-style penalty term for robust value estimation. By accounting for distribution shifts in the historical dataset, the proposed algorithm establishes near-optimal sample complexity guarantees under partial coverage and environmental uncertainty. An information-theoretic lower bound is developed to confirm the tightness of our algorithm's sample complexity, which is optimal regarding both state and action spaces. To the best of our knowledge, RTZ-VI-LCB is the first to attain this optimality, sets a new benchmark for offline RTZMGs, and is validated experimentally.

As large language models (LLMs) become increasingly capable, security and safety evaluation are crucial. While current red teaming approaches have made strides in assessing LLM vulnerabilities, they often rely heavily on human input and lack comprehensive coverage of emerging attack vectors. This paper introduces AutoRedTeamer, a novel framework for fully automated, end-to-end red teaming against LLMs. AutoRedTeamer combines a multi-agent architecture with a memory-guided attack selection mechanism to enable continuous discovery and integration of new attack vectors. The dual-agent framework consists of a red teaming agent that can operate from high-level risk categories alone to generate and execute test cases, and a strategy proposer agent that autonomously discovers and implements new attacks by analyzing recent research. This modular design allows AutoRedTeamer to adapt to emerging threats while maintaining strong performance on existing attack vectors. We demonstrate AutoRedTeamer’s effectiveness across diverse evaluation settings, achieving 20% higher attack success rates on HarmBench against Llama-3.1-70B while reducing computational costs by 46% compared to existing approaches. AutoRedTeamer also matches the diversity of human-curated benchmarks in generating test cases, providing a comprehensive, scalable, and continuously evolving framework for evaluating the security of AI systems.

A significant use case of instruction-finetuned Large Language Models (LLMs) is to solve question-answering tasks interactively. In this setting, an LLM agent is tasked with making a prediction by sequentially querying relevant information from the user, as opposed to a single-turn conversation. This paper explores sequential querying strategies that aim to minimize the expected number of queries. One such strategy is Information Pursuit (IP), a greedy algorithm that at each iteration selects the query that maximizes information gain or equivalently minimizes uncertainty. However, obtaining accurate estimates of mutual information or conditional entropy for LLMs is very difficult in practice due to over- or under-confident LLM probabilities, which leads to suboptimal query selection and predictive performance. To better estimate the uncertainty at each iteration, we propose *Conformal Information Pursuit (C-IP)*, an alternative approach to sequential information gain based on conformal prediction sets. More specifically, C-IP leverages a relationship between prediction sets and conditional entropy at each iteration to estimate uncertainty based on the average size of conformal prediction sets. In contrast to conditional entropy, we find that conformal prediction sets are a distribution-free and robust method of measuring uncertainty. Experiments with 20 Questions show that C-IP obtains better predictive performance and shorter query-answer chains compared to previous approaches to IP and uncertainty-based chain-of-thought methods. Furthermore, extending to an interactive medical setting between a doctor and a patient on the MediQ dataset, C-IP achieves competitive performance with direct single-turn prediction while offering greater interpretability.

As AIs rapidly advance and become more agentic, the risk they pose is governed not only by their capabilities but increasingly by their propensities, including goals and values. Tracking the emergence of goals and values has proven a longstanding problem, and despite much interest over the years it remains unclear whether current AIs have meaningful values. We propose a solution to this problem, leveraging the framework of utility functions to study the internal coherence of AI preferences. Surprisingly, we find that independently-sampled preferences in current LLMs exhibit high degrees of structural coherence, and moreover that this emerges with scale. These findings suggest that value systems emerge in LLMs in a meaningful sense, a finding with broad implications. To study these emergent value systems, we propose utility engineering as a research agenda, comprising both the analysis and control of AI utilities. We uncover problematic and often shocking values in LLM assistants despite existing control measures. These include cases where AIs value themselves over humans and are anti-aligned with specific individuals. To constrain these emergent value systems, we propose methods of utility control. As a case study, we show how aligning utilities with a citizen assembly reduces political biases and generalizes to new scenarios. Whether we like it or not, value systems have already emerged in AIs, and much work remains to fully understand and control these emergent representations.

The exponential growth of data-driven systems and AI technologies has intensified the demand for high-quality web-sourced datasets. While existing datasets have proven valuable, conventional web data collection approaches face significant limitations in terms of human effort and scalability. Current data collecting solutions fall into two categories: wrapper-based methods that struggle with adaptability and reproducibility, and large language model (LLM)-based approaches that incur substantial computational and financial costs. To address these challenges, we propose AutoData, a novel multi-agent system for Automated web Data collection, that requires minimal human intervention, i.e., only necessitating a natural language instruction specifying the desired dataset. In addition, AutoData is designed for a robust multi-agent architecture, featuring a novel oriented message hypergraph coordinated by a central task manager, to efficiently organize agents across research and development squads. Besides, we introduce a novel hypergraph cache system to advance the multi-agent collaboration process that enables efficient automated data collection and mitigates the token cost issues prevalent in existing LLM-based systems. Moreover, we introduce Instruct2DS, a new benchmark dataset supporting live data collection from web sources across three domains: academic, finance, and sports. Comprehensive evaluations over Instruct2DS and three existing benchmark datasets demonstrate AutoData's superior performance compared to baseline methods. Case studies on challenging tasks such as picture book collection and paper extraction from surveys further validate its applicability.

Indoor scene synthesis has become increasingly important with the rise of Embodied AI, which requires 3D environments that are not only visually realistic but also physically plausible and functionally diverse. While recent approaches have advanced visual fidelity, they often remain constrained to fixed scene categories, lack sufficient object-level detail and physical consistency, and struggle to align with complex user instructions. In this work, we present SceneWeaver, a reflective agentic framework that unifies diverse scene synthesis paradigms through tool-based iterative refinement. At its core, SceneWeaver employs a language model-based planner to select from a suite of extensible scene generation tools, ranging from data-driven generative models to visual- and LLM-based methods, guided by self-evaluation of physical plausibility, visual realism, and semantic alignment with user input. This closed-loop reason-act-reflect design enables the agent to identify semantic inconsistencies, invoke targeted tools, and update the environment over successive iterations. Extensive experiments on both common and open-vocabulary room types demonstrate that \model not only outperforms prior methods on physical, visual, and semantic metrics, but also generalizes effectively to complex scenes with diverse instructions, marking a step toward general-purpose 3D environment generation.

Advanced reasoning models with agentic capabilities (AI agents) are deployed to interact with humans and to solve sequential decision‑making problems under (often approximate) utility functions and internal models. When such problems have resource or failure constraints where action sequences may be forcibly terminated once resources are exhausted, agents face implicit trade‑offs that reshape their utility-driven (rational) behaviour. Additionally, since these agents are typically commissioned by a human principal to act on their behalf, asymmetries in constraint exposure can give rise to previously unanticipated misalignment between human objectives and agent incentives. We formalise this setting through a survival bandit framework, provide theoretical and empirical results that quantify the impact of survival‑driven preference shifts, identify conditions under which misalignment emerges and propose mechanisms to mitigate the emergence of risk-seeking or risk-averse behaviours. As a result, this work aims to increase understanding and interpretability of emergent behaviours of AI agents operating under such survival pressure, and offer guidelines for safely deploying such AI systems in critical resource‑limited environments.