ICML 2026 Papers

Automatic loop invariant generation remains a challenging problem in program verification, particularly for memory-manipulating programs where shape invariants are required to characterize heap-allocated structures and memory layouts. While existing approaches succeed on numerical invariants, they achieve limited accuracy on shape invariants. We hypothesize that this stems from the need to reason about memory state evolution—information that remains implicit in source code. To address this, we ground LLM reasoning in symbolic execution traces that explicitly capture such transitions. We propose \textsc{Malice}, a two-stage framework incorporating these traces: (1) guided multi-step reasoning that predicts invariants via chain-of-thought analysis of traces, and (2) agentic iterative refinement that corrects candidates through verification tool feedback. Evaluated on LIG-MM+, a benchmark featuring common operations on typical memory structures, \textsc{Malice} substantially outperforms existing approaches.

Real-world user requests to LLM agents are often underspecified. Agents must interact to acquire missing information and make correct downstream decisions. However, current multi-turn GRPO-based methods often rely on trajectory-level reward computation, which leads to credit assignment problems and insufficient advantage signals within rollout groups. A feasible approach is to identify valuable interaction turns at a fine granularity to drive more targeted learning. To address this, we introduce InfoPO, which frames multi-turn interaction as a process of active uncertainty reduction and computes an information-gain reward that credits turns whose feedback measurably changes the agent’s subsequent action distribution compared to a masked-feedback counterfactual. It then combines this signal with task outcomes via an adaptive variance-gated fusion to identify information importance while maintaining task oriented goal direction. Across diverse tasks including intent clarification, collaborative coding, and tool-augmented decision making, InfoPO consistently outperforms prompting and multi-turn RL baselines. It also demonstrates robustness under user simulator shifts and generalizes effectively to environment interactive tasks. Overall, InfoPO provides a principled and scalable mechanism for optimizing complex agent user collaboration.

Large Language Models have significantly advanced autonomous agents through their sophisticated perception and execution capabilities. Despite effective, agents still struggle with robust decision-making due to passive learning from similar experiences that often confound correlation with causality. Inspired by the Scientific Method, we propose a Cycle-of-Science framework that autonomously explores potential causal pathways through an iterative loop of \textit{Hypothesis, Experiment, and Validation}, enabling agents to identify truly effective causal dependencies. To be specific, we first leverage causal knowledge to guide the initial hypotheses generation. These hypotheses are then analyzed through experiments using counterfactual samples. Afterward, we perform causal analysis to quantify effects of interventions, deriving well-validated hypotheses for next agent steps. To train our policy, we further introduce a two-stage pipeline that integrates supervised fine-tuning with Counterfactual Preference Optimization, which constructs preference signals from intervention outcomes to reinforce validated reasoning chains. Experiments on benchmarks demonstrate that our method achieves superior performance over state-of-the-art approaches.

Embodied agents operating in decentralized and partially observable environments have attracted growing attention in recent years. However, existing large language model (LLM)-based agents often exhibit behaviors that are misaligned with their partners or inconsistent with the environment state, leading to inefficient cooperation and poor task success. To address this challenge, we propose a novel framework, Learning Laws of Cooperation (LLawCo), that enables embodied agents to autonomously align with both their partners and task objectives. Our framework allows agents to reflect on past failures to extract misaligned behavioral patterns, which are used to derive high-level behavioral laws, such as “Talk when necessary” and “Wait for partner.” These laws are explicitly incorporated into the agents’ chains of thought via supervised fine-tuning, aligning their reasoning with task requirements and the behavior of other agents. To evaluate our approach, we introduce PARTNR-Dialog, a large-scale multi-agent communicative and cooperative planning benchmark built on the PARTNR environment. Experiments on existing tasks and our new benchmark demonstrate significant improvements in cooperative efficiency and task success rates. Across four backbone LLMs, our method achieves average success rate improvements of 4.5% on the PARTNR-Dialog benchmark and 6.8% on the TDW-MAT benchmark over state-of-the-art open-source communicative agent frameworks.

Learning stationary policies in infinite-horizon general-sum Markov games (MGs) remains a fundamental open problem in Multi-Agent Reinforcement Learning (MARL). While stationary strategies are preferred for their practicality, computing stationary forms of classic game-theoretic equilibria is computationally intractable—a stark contrast to the comparative ease of solving single-agent RL or zero-sum games. To bridge this gap, we study Risk-averse Quantal response Equilibria (RQE), a solution concept rooted in behavioral game theory that incorporates risk aversion and bounded rationality. We demonstrate that RQE possesses strong regularity conditions that make it uniquely amenable to learning in MGs. We propose a novel single-timescale Actor-Critic algorithm characterized by a faster actor and a slower critic. Leveraging the regularity of RQE, we prove that this approach achieves global convergence with finite-sample guarantees. We empirically validate our algorithm in several environments to demonstrate superior convergence properties compared to risk-neutral baselines.

The agency expected of Agentic Large Language Models goes beyond answering correctly, requiring autonomy to set goals and decide what to explore. We term this *investigatory intelligence*, distinguishing it from *executional intelligence*, which merely completes assigned tasks. Data Science provides a natural testbed, as real-world analysis starts from raw data rather than explicit queries, yet few benchmarks focus on it. To address this, we introduce **Deep Data Research (DDR)**, an open-ended task where LLMs autonomously extract key insights from databases, and **DDR-Bench**, a large-scale, checklist-based benchmark that enables verifiable evaluation. Results show that while frontier models display emerging agency, long-horizon exploration remains challenging. Our analysis highlights that effective investigatory intelligence depends not only on agent scaffolding or merely scaling, but also on intrinsic strategies of agentic models.

Knowledge Base Question Answering (KBQA) challenges models to bridge the gap between natural language and strict knowledge graph schemas by generating executable logical forms. While Large Language Models (LLMs) have advanced this field, current approaches often struggle with a dichotomy of failure: they either generate hallucinated queries without verifying schema existence or exhibit rigid, template-based reasoning that mimics synthesized traces without true comprehension of the environment. To address these limitations, we present **KBQA-R1**, a framework that shifts the paradigm from text imitation to interaction optimization via Reinforcement Learning. Treating KBQA as a multi-turn decision process, our model learns to autonomously navigate the knowledge base using a structured action space, refining its reasoning strategies based on concrete execution feedback rather than static supervision. Furthermore, we introduce Referenced Rejection Sampling (RRS), a data synthesis method that resolves cold-start challenges by strictly aligning reasoning traces with ground-truth action sequences. Extensive experiments on WebQSP, GrailQA, and GraphQuestions demonstrate that KBQA-R1 achieves state-of-the-art performance. Code is available at https://anonymous.4open.science/r/KBQA-R1-814F.

Collaborative perception enhances environment understanding through multi-agent information sharing, but its performance in real-world scenarios is constrained by heterogeneous sensor modalities and model architectures. Recent protocol-based two-stage methods alleviate this problem by mapping heterogeneous features into a shared protocol space; however, independently trained modality-specific converters often generate modality-specific pseudo-protocol distributions, leading to semantic inconsistency and error accumulation, which is particularly pronounced in scenarios with large modality discrepancies. To address this issue, we propose CauseCollab, a causal unified and modality-agnostic network. CauseCollab formulates representation learning in the protocol space from a causal perspective, explicitly disentangling semantic factors from modality-specific statistical confounders via causal metric learning. Meanwhile, CauseCollab adopts context-guided Unified Converter for heterogeneous modalities to ensure cross-modal semantic consistency. In addition, integrating new modalities only requires training adapters with minimal parameters. Extensive experiments on the OPV2V and DAIR-V2X datasets demonstrate that CauseCollab achieves state-of-the-art performance, with more significant gains in scenarios involving large modality gaps.

Explainability is essential for applying time series analysis in high-stakes domains. While Time Series Captioning (TSC) offers a pathway to enhance temporal explainability, achieving reliable caption generation usually necessitates high-quality textual annotations. However, as interpreting abstract temporal dynamics requires specialized domain knowledge, acquiring such caption annotations is challenging, thereby impeding the advancement of TSC. To address this challenge, we introduce a novel Caption Label-Free Learning (CLFL) paradigm. Departing from the supervised learning tradition of imitating human annotations, CLFL formulates captioning as an agentic exploration task optimized by feedback from a proxy reward. Specifically, we propose a Dual Loop Agentic Captioning (DLAC) framework to achieve such an exploration-feedback mechanism. In the inner loop, a Time Series Captioning Agent (TSCAgent) reflectively explores potential semantic captions. In turn, the outer loop evaluates these captions via downstream reasoning to derive proxy reward, which feeds back to optimize the TSCAgent. Empirical results validate the effectiveness of the CLFL, proving that the exploration-feedback mechanism is sufficient for learning complex temporal semantics and autonomously generating captions, without any caption label supervision. Furthermore, we release TFTSC, an industrial expert-level time series caption dataset, which is available at: https://github.com/chunhuiz/TFTSC/tree/master.

As increasingly capable agents are deployed, a central safety challenge is how to retain meaningful human control without modifying the underlying system. We study a minimal control interface in which an agent chooses whether to act autonomously (play) or defer (ask), while a human simultaneously chooses whether to be permissive (trust) or engage in oversight (oversee), and model this interaction as a two-player Markov Game. When this game forms a Markov Potential Game, we prove an alignment guarantee: any increase in the agent's utility from acting more autonomously cannot decrease the human's value. This establishes a form of intrinsic alignment where the agent's incentive to seek autonomy is structurally coupled to the human's welfare. Practically, the framework induces a transparent control layer encouraging the agent to defer when risky and act when safe. While we use gridworld simulations to illustrate the emergence of this collaboration, our primary validation involves an agentic tool-use task where two 30B-parameter language models are fine-tuned via independent policy gradient. We demonstrate that even as the agents learn to coordinate on the fly, this framework effectively reduces safety violations in realistic, open-ended environments.

Long-term memory is essential for large language model (LLM) agents operating in complex environments, yet existing memory designs are either task-specific and non-transferable, or task-agnostic but less effective due to low task-relevance and context explosion from raw memory retrieval. We propose PlugMem, a task-agnostic plugin memory module that can be attached to arbitrary LLM agents without task-specific redesign. Motivated by the fact that decision-relevant information is concentrated as abstract knowledge rather than raw experience, we draw on cognitive science to structure episodic memories into a compact, extensible knowledge-centric memory graph that explicitly represents propositional and prescriptive knowledge. This representation enables efficient memory retrieval and reasoning over task-relevant knowledge, rather than verbose raw trajectories, and departs from other graph-based methods like GraphRAG by treating knowledge as the unit of memory access and organization instead of entities or text chunks. We evaluate PlugMem unchanged across three heterogeneous benchmarks (long-horizon conversational question answering, multi-hop knowledge retrieval, and web agent tasks). The results show that PlugMem consistently outperforms task-agnostic baselines and exceeds task-specific memory designs, while also achieving the highest information density under a unified information-theoretic analysis. Code and data are available at https://github.com/TIMAN-group/PlugMem.

Recent studies indicate that when faced with explicit biases in prompts, models often omit mentioning these biases in their Chain-of-Thought (CoT) output, revealing that verbalized reasoning can give an incorrect picture of how models arrive at conclusions (unfaithfulness). In this work, we show that unfaithful CoT also occurs on naturally worded, non-adversarial prompts without adding artificial biases or editing model outputs. We find that when separately presented with the questions "Is X bigger than Y?" and "Is Y bigger than X?", models sometimes produce superficially coherent arguments to justify systematically answering Yes to both or No to both, despite the contradiction. We present preliminary evidence that this is due to models' implicit biases towards Yes or No, labeling this *Implicit Post-Hoc Rationalization*. Our results reveal rates up to 13% for production models, and while frontier models are more faithful, none are entirely so, including thinking models like DeepSeek R1 (0.37%) and Sonnet 3.7 with thinking (0.04%). We also investigate *Unfaithful Illogical Shortcuts*, where models use subtly illogical reasoning to make speculative answers to hard math problems seem rigorously proven. Our findings indicate that while CoT can be useful for assessing outputs, it is not a complete account of the internal process that produced the model's answer and should be used with caution in agentic or safety-critical settings.

With the rapid evolution of Large Language Models (LLMs), multi-round workflows, such as autonomous agents and iterative retrieval, have become increasingly prevalent. However, this raises hurdles for serving LLMs under prefill-decode (PD) disaggregation, a widely adopted paradigm that separates the compute-bound prefill phase and memory-bound decode phase onto individual resources. Specifically, existing systems overlook the interleaved prefill-decode workload pattern in multi-round inference, leading to sub-optimal handling of the incremental prefill workloads and model deployment for the two phases. In this work, we present AMPD, a brand new disaggregated serving framework for multi-round LLM inference. The core of AMPD is to coordinate the prefill workloads based on real-time workloads by adaptively determining where to carry out these workloads and how they are scheduled, in order to maximize service level objective (SLO) attainment. In addition, we tailor a planning algorithm for our scenario, facilitating the deduction of optimal resource allocation and parallel strategies for the two phases. Empirical results demonstrate that AMPD substantially improves SLO attainment compared to state-of-the-art baselines.

End-to-end speech-in, speech-out dialogue systems are emerging as a powerful alternative to traditional ASR–LLM–TTS pipelines but remain prone to hallucinations due to limited factual grounding. While text-based dialogue models have effectively mitigated this issue through tools such as web search APIs, extending such capabilities to speech-in, speech-out systems remains underexplored. A key challenge is that tool integration increases latency, disrupting conversational flow. To mitigate this, we propose Streaming Retrieval-Augmented Generation (Stream RAG), a novel framework that reduces latency by predicting tool queries in parallel with user speech, even before the user finishes speaking. Specifically, we develop a post-training pipeline that teaches the model when to issue tool calls and how to generate spoken summaries using retrieved text results, thereby improving both accuracy and responsiveness. To evaluate our approach, we construct AudioCRAG, a benchmark created by converting queries from the publicly available CRAG dataset into speech form. Experimental results show that Stream RAG improves QA accuracy by over 20.0% absolute on AudioCRAG and achieves state-of-the-art performance, including outperforming cascaded systems, on the SLUE-SQA benchmark, while reducing latency by up to 57%. Stream RAG is modality-agnostic and can be applied equally to typed input, paving the way for more agentic, real-time AI assistants.

Self-reflection is a powerful mechanism for credit assignment in human learning, converting sparse outcome feedback into actionable guidance. However, its potential for post-training Large Language Models (LLMs) remains underexplored. We propose Self-Reflective Policy Optimization (SRPO), a framework that internalizes this capability. SRPO enables LLMs to analyze their own completed trajectories, synthesize errors into concise "reflection patches," and use these reflection-conditioned rollouts as high-quality, on-policy distillation targets. This process effectively transforms sparse terminal supervision into dense, token-level learning signals without requiring external critics, separate reward models, or larger teacher models. We demonstrate that SRPO achieves state-of-the-art performance across mathematical reasoning and long-horizon agentic benchmarks with exceptional data efficiency. Using a Qwen3-8B base model, SRPO attains 73.3\% on AIME’24 using only 8\% (0.08$\times$) of the training FLOPs required by scaled supervised fine-tuning, while significantly improving success rates on WebShop (64.7\%), ALFWorld (76.8\%), and SWE-Bench-Lite (31.2\%).

Serving Large Language Models (LLMs) can benefit immensely from parallelizing both the model and input requests across multiple devices, but incoming workloads exhibit substantial spatial and temporal heterogeneity. Spatially, workloads comprise heterogeneous requests with varying compute and memory demands. Temporally, workload composition varies over time. Nevertheless, existing systems typically assume spatially uniform and temporally stable workloads, employing a homogeneous, static model deployment. This mismatch between the assumption and real-world spatial-temporal heterogeneity results in suboptimal performance. We present OServe, an LLM serving system with heterogeneous and flexible model deployment that addresses both spatial and temporal heterogeneity. First, OServe introduces a novel workload-aware scheduling algorithm that optimizes heterogeneous model deployments according to real-time workload characteristics. Second, OServe proposes an efficient workload-adaptive switching method that migrates model deployments in response to predicted workload changes. Experiments on real-world traces show that OServe improves performance by up to 2$\times$ (average: 1.5$\times$) compared to state-of-the-art serving systems.

Frontier large language models (LLMs) are increasingly capable of carrying out long-running, real-world tasks. However, as the amount of context grows, their reliability often deteriorate, a phenomenon known as "context rot". Existing long-context benchmarks primarily focus on single-step settings that evaluate a model’s ability to retrieve information from a long snippet. In realistic scenarios, however, LLMs often need to act as agents that explore environments, follow instructions and plans, extract useful information, and predict correct actions under a dynamically growing context. To assess language agents in such settings, we introduce LOCA-bench (a benchmark for **LO**ng-**C**ontext **A**gents). Given a task prompt, LOCA-bench leverages automated and scalable control of environment states to regulate the agent’s context length. This design enables LOCA-bench to extend the context length potentially to infinity in a controlled way while keeping the underlying task semantics fixed. LOCA-bench evaluates language agents as a combination of models and scaffolds, including various context management strategies. While agent performance generally degrades as the environment states grow more complex, advanced context management techniques can substantially improve the overall success rate. We will open-source LOCA-bench to provide a platform for evaluating models and scaffolds in long-context, agentic scenarios.

Benchmarks play a central role in reinforcement learning (RL) research, yet their computational constraints often shape what is studied. Despite the motivation of lifelong learning, most continual RL papers consider only 3–10 sequential tasks, as CPU-bound environments make longer sequences impractical. Meanwhile, continual learning in cooperative multi-agent settings remains largely unexplored. To address these gaps, we introduce **MEAL** (**M**ulti-agent **E**nvironments for **A**daptive **L**earning), the first benchmark for continual multi-agent RL. By leveraging JAX and GPU acceleration, MEAL enables training on sequences of 100 tasks on a single GPU in a few hours. We find that long task sequences reveal failure modes that do not appear at smaller scales.

Code translation transforms source code from one programming language (PL) to another. Validating the functional equivalence of translation and repairing, if necessary, are critical steps in code translation. Existing automated validation and repair approaches struggle to generalize to many PLs due to high engineering overhead, and they rely on existing and often inadequate test suites, which results in false claims of equivalence and ineffective translation repair. To bridge this gap, we develop MatchFixAgent, a large language model (LLM)-based, PL-agnostic framework for equivalence validation and repair of translations. MatchFixAgent features a multi-agent architecture that divides equivalence validation into several sub-tasks to ensure thorough and consistent semantic analysis of the translation. We compare MatchFixAgent's validation and repair results with four repository-level code translation techniques. Our results demonstrate that MatchFixAgent produces (in)equivalence verdicts for $99.2$% of translation pairs, with the same equivalence validation result as prior work on $72.8$% of them. When MatchFixAgent's result disagrees with prior work, we find that $60.7$% of the time MatchFixAgent's result is actually correct. In addition, we show that MatchFixAgent can repair $50.6$% of inequivalent translation, compared to prior work’s $18.5$%.