ICLR 2026 Papers

The inverse design of RNA three-dimensional (3D) structures is crucial for engineering functional RNAs in synthetic biology and therapeutics. While recent deep learning approaches have advanced this field, they are typically optimized and evaluated using native sequence recovery, which is a limited surrogate for structural fidelity, since different sequences can fold into similar 3D structures and high recovery does not necessarily indicate correct folding. To address this limitation, we propose RIDER, an RNA Inverse DEsign framework with Reinforcement learning that directly optimizes for 3D structural similarity. First, we develop and pre-train a GNN-based generative diffusion model conditioned on the target 3D structure, achieving a $9\\%$ improvement in native sequence recovery over state-of-the-art methods. Then, we fine-tune the model with an improved policy gradient algorithm using four task-specific reward functions based on 3D self-consistency metrics. Experimental results show that RIDER improves structural similarity by over $100\\%$ across all metrics and discovers designs that are distinct from native sequences.

Exogenous MDPs (Exo-MDPs) capture sequential decision-making where uncertainty comes solely from exogenous inputs that evolve independently of the learner’s actions. This structure is especially common in operations research applications such as inventory control, energy storage, and resource allocation, where exogenous randomness (e.g., demand, arrivals, or prices) drives system behavior. Despite decades of empirical evidence that greedy, exploitation-only methods work remarkably well in these settings, theory has lagged behind: all existing regret guarantees for Exo-MDPs rely on explicit exploration or tabular assumptions. We show that exploration is unnecessary. We propose Pure Exploitation Learning ($\texttt{PEL}$) and prove the first general finite-sample regret bounds for exploitation-only algorithms in Exo-MDPs. In the tabular case, PEL achieves $\widetilde{O}(H^2|\Xi|\sqrt{K})$. For large, continuous endogenous state spaces, we introduce $\texttt{LSVI-PE}$, a simple linear-approximation method whose regret is polynomial in the feature dimension, exogenous state space, and horizon, independent of the endogenous state and action spaces. Our analysis introduces two new tools: counterfactual trajectories and Bellman-closed feature transport, which together allow greedy policies to have accurate value estimates without optimism. Experiments on synthetic and resource-management tasks show $\texttt{PEL}$ consistently outperforming baselines. Overall, our results overturn the conventional wisdom that exploration is required, demonstrating that in Exo-MDPs, pure exploitation is enough.

Large Language Model (LLM)-based agentic systems, often comprising multiple models, complex tool invocations, and orchestration protocols, substantially outperform monolithic agents. Yet this very sophistication amplifies their fragility, making them more prone to system failure. Pinpointing the specific agent or step responsible for an error within long execution traces defines the task of \textbf{agentic system failure attribution}. Current state-of-the-art reasoning LLMs, however, remain strikingly inadequate for this challenge, with accuracy generally below $10\\%$. To address this gap, we propose AgenTracer, the first automated framework for annotating failed multi-agent trajectories via counterfactual replay and programmed fault injection, producing the curated dataset TracerTraj. Leveraging this resource, we develop AgenTracer-8B, a lightweight failure tracer trained with multi-granular reinforcement learning, capable of efficiently diagnosing errors in verbose multi-agent interactions. On {Who\&When} benchmark, AgenTracer-8B outperforms giant proprietary LLMs like Gemini-2.5-Pro and Claude-4-Sonnet by up $18.18\\%$, setting a new standard in LLM agentic failure attribution. More importantly, AgenTracer-8B delivers actionable feedback to off-the-shelf multi-agent systems like MetaGPT and MaAS with $4.8\sim14.2\\%$ performance gains, empowering self-correcting and self-evolving agentic AI.

Any entity in the visual world can be hierarchically grouped based on shared characteristics and mapped to fine-grained sub-categories. While Multi-modal Large Language Models (MLLMs) achieve strong performance on coarse-grained visual tasks, they often struggle with Fine-Grained Visual Recognition (FGVR). Adapting general-purpose MLLMs to FGVR typically requires large amounts of annotated data, which is costly to obtain, leaving a substantial performance gap compared to contrastive CLIP models dedicated for discriminative tasks. Moreover, MLLMs tend to overfit to seen sub-categories and generalize poorly to unseen ones. To address these challenges, we propose Fine-R1, an MLLM tailored for FGVR through an R1-style training framework: (1) Chain-of-Thought Supervised Fine-tuning, where we construct a high-quality FGVR CoT dataset with rationales of "visual analysis, candidate sub-categories, comparison, and prediction”, transition the model into a strong open-world classifier; and (2) Triplet Augmented Policy Optimization, where Intra-class Augmentation mixes trajectories from anchor and positive images within the same category to improve robustness to intra-class variance, while Inter-class Augmentation maximizes the response distinction conditioned on images across sub-categories to enhance discriminative ability. With only 4-shot training, Fine-R1 outperforms existing general MLLMs, reasoning MLLMs, and even contrastive CLIP models in identifying both seen and unseen sub-categories, showing promise in working in knowledge-intensive domains where gathering expert annotations for all sub-categories is arduous. Code is available at [https://github.com/PKU-ICST-MIPL/FineR1_ICLR2026](https://github.com/PKU-ICST-MIPL/FineR1\_ICLR2026).

Sample efficiency is one of the main bottlenecks for optimal decision making via reinforcement learning. Pretraining a policy to maximize the entropy of the state visitation can substantially speedup reinforcement learning of downstream tasks. It is still an open question how to maximize the state entropy in POMDPs, where the true states of the environment, or their entropy, are not observed. In this work, we propose to maximize the entropy of a sufficient statistic of the history, which is called an information state. First, we show that a recursive latent model that predicts future observations is an information state in this setting. Then, we provide a practical algorithm, called LatEnt, to simultaneously learn the latent model and a latent-based policy maximizing the corresponding entropy objective from reward-free interactions with the POMDP. We empirically show that our approach induces higher state entropy than existing methods, which translates to better performance on downstream tasks. As a byproduct, we open-source PROBE, the first benchmark to test reward-free pretraining in POMDPs.

Reinforcement Learning with Verifiable Rewards (RLVR) is a powerful framework for improving the reasoning abilities of Large Language Models (LLMs). However, current methods such as GRPO rely only on problems where the model responses to the same input differ in correctness, while ignoring those where all responses receive the same reward — so-called zero-variance prompts. In this work, we argue that such prompts are not useless but can, in fact, provide meaningful feedback for policy optimization. To this end, we introduce Reinforcement Learning with Zero-Variance Prompts (RL-ZVP), a novel algorithm that extract learning signals from zero-variance prompts. RL-ZVP directly rewards correctness and penalizes errors even without contrasting responses, modulating feedback with token-level characteristics to preserve informative, nuanced signals. Across six math reasoning benchmarks, RL-ZVP achieves significant improvements of up to 8.61 points in accuracy and 7.77 points in pass rate over GRPO, while consistently outperforming other baselines that filter out zero-variance prompts. These results highlight the untapped potential of learning from zero-variance prompts in RLVR.

Reinforcement learning (RL) is a human-designed framework for solving sequential decision-making problems. In this work, we demonstrate that, surprisingly, RL emerges in LLMs at inference time – a phenomenon known as in-context RL (ICRL). To reveal this capability, we introduce a simple multi-round prompting framework, called ICRL prompting. The goal of ICRL prompting is to guide LLMs to perform reinforcement learning for self-improvement on a given task. After the LLM generates a response at the current round, we give numerical scalar feedback on the response, called the rewards. At the next round, we prompt the LLM again with the same task and a context consisting of all previous responses and rewards. We observe that the quality of the LLM's response increases as the context grows. In other words, the LLM is able to maximize the scalar reward signal at inference time, just like an RL algorithm. We evaluate ICRL prompting on Game of 24, creative writing, ScienceWorld, and Olympiad-level math competitions (AIME and HMMT), demonstrating significant improvements over baselines such as Self-Refine and Reflexion. Surprisingly, in some experiments, the reward signals are generated by the LLM itself, yet performance improvements are still observed from ICRL prompting, offering a new paradigm for test-time scaling.

While large reasoning models trained with critic-free reinforcement learning and verifiable rewards (RLVR) represent the state-of-the-art, their practical utility is hampered by ``overthinking'', a critical issue where models generate excessively long reasoning paths without any performance benefit. Existing solutions that penalize length often fail, inducing performance degradation due to a fundamental misalignment between trajectory-level rewards and token-level optimization. In this work, we introduce a novel framework, DECS, built on our theoretical discovery of two previously unaddressed flaws in current length rewards: (1) the erroneous penalization of essential exploratory tokens and (2) the inadvertent rewarding of partial redundancy. Our framework's innovations include (i) a first-of-its-kind decoupled token-level reward mechanism that surgically distinguishes and penalizes redundant tokens, and (ii) a novel curriculum batch scheduling strategy to master the efficiency-efficacy equilibrium. Experimental results show DECS can achieve a dramatic reduction in reasoning tokens by over 50\% across seven benchmarks while simultaneously maintaining or even improving performance. It demonstrates conclusively that substantial gains in reasoning efficiency can be achieved without compromising a model's underlying reasoning power. Code is available at \url{https://github.com/pixas/DECS}.

Generative Flow Networks (GFlowNets) were developed to learn policies for efficiently sampling combinatorial candidates by interpreting their generative processes as trajectories in directed acyclic graphs. In the value-based training workflow, the objective is to enforce the balance over partial episodes between the flows of the learned policy and the estimated flows of the desired policy, implicitly encouraging policy divergence minimization. The policy-based strategy alternates between estimating that divergence and updating the policy, but reliable estimation of the divergence under directed acyclic graphs remains a major challenge. This work bridges the two perspectives by showing that flow balance also yields a principled policy evaluator that measures the policy divergence, and an evaluation balance objective over partial episodes is proposed for learning the evaluator. As demonstrated on both synthetic and real-world tasks, the flow balance condition not only strengthens the reliability of policy-based training but also broadens its flexibility by seamlessly supporting parameterized backward policies and enabling the integration of offline data-collection techniques.

We study computationally and statistically efficient reinforcement learning under the linear $Q^{\pi}$ realizability assumption, where any policy's $Q$-function is linear in a given state-action feature representation. Prior methods in this setting are either computationally intractable, or require (local) access to a simulator. In this paper, we propose a computationally efficient online RL algorithm, named \emph{Frozen Policy Iteration}, under the linear $Q^{\pi}$ realizability setting that works for Markov Decision Processes (MDPs) with stochastic initial states, stochastic rewards and deterministic transitions. Our algorithm achieves a regret bound of $\widetilde{O}(\sqrt{d^2H^6T})$, where $d$ is the dimensionality of the feature space, $H$ is the horizon length, and $T$ is the total number of episodes. Our regret bound is optimal for linear (contextual) bandits which is a special case of our setting with $H = 1$. Existing policy iteration algorithms under the same setting heavily rely on repeatedly sampling the same state by access to the simulator, which is not implementable in the online setting with stochastic initial states studied in this paper. In contrast, our new algorithm circumvents this limitation by strategically using only high-confidence part of the trajectory data and freezing the policy for well-explored states, which ensures that all data used by our algorithm remains effectively \emph{on-policy} during the whole course of learning. We further demonstrate the versatility of our approach by extending it to the Uniform-PAC setting and to function classes with bounded eluder dimension.

Cross-domain reinforcement learning (CDRL) is meant to improve the data efficiency of RL by leveraging the data samples collected from a source domain to facilitate the learning in a similar target domain. Despite its potential, cross-domain transfer in RL is known to have two fundamental and intertwined challenges: (i) The source and target domains can have distinct state space or action space, and this makes direct transfer infeasible and thereby requires more sophisticated inter-domain mappings; (ii) The transferability of a source-domain model in RL is not easily identifiable a priori, and hence CDRL can be prone to negative effect during transfer. In this paper, we propose to jointly tackle these two challenges through the lens of \textit{cross-domain Bellman consistency} and \textit{hybrid critic}. Specifically, we first introduce the notion of cross-domain Bellman consistency as a way to measure transferability of a source-domain model. Then, we propose $Q$Avatar, which combines the Q functions from both the source and target domains with an adaptive hyperparameter-free weight function. Through this design, we characterize the convergence behavior of $Q$Avatar and show that $Q$Avatar achieves reliable transfer in the sense that it effectively leverages a source-domain Q function for knowledge transfer to the target domain. Through experiments, we demonstrate that $Q$Avatar achieves favorable transferability across various RL benchmark tasks, including locomotion and robot arm manipulation.

Multi-agent reinforcement learning (MARL) confronts a fundamental tension between stability and expressiveness. Stability requires avoiding divergence under non-stationary updates, while expressiveness demands capturing multimodal strategies for heterogeneous coordination. Existing methods sacrifice one for the other: value-decomposition and trust-region approaches ensure stability but assume restrictive unimodal policies, while expressive generative models lack optimization guarantees. To address this challenge, we introduce **H**eterogeneous **A**gent **Q**-weighted Policy **O**ptimization (**HAQO**), a framework unifying sequential advantage-aware updates, Q-weighted variational surrogates, and entropy regularization. Our analysis establishes monotone improvement guarantees under bounded critic bias, extending trust-region theory to diffusion-based policies with intractable log-likelihoods. HAQO achieves superior returns and reduced variance compared to policy-gradient baselines across diverse benchmarks. The ablation studies confirm sequential updates ensure stability, expressive policies enable multimodality, and entropy regularization prevents collapse. HAQO reconciles stability and expressiveness in MARL with theoretical rigor and practical effectiveness.

Auto-bidding serves as a critical tool for advertisers to improve their advertising performance. Recent progress has demonstrated that AI-Generated Bidding (AIGB), which learns a conditional generative planner from offline data, achieves superior performance compared to typical offline reinforcement learning (RL)-based auto-bidding methods. However, existing AIGB methods still face a performance bottleneck due to their inherent inability to explore beyond the static offline dataset. To address this, we propose AIGB-Pearl (Planning with EvaluAtor via RL), a novel method that integrates generative planning and policy optimization. The core of AIGB-Pearl lies in constructing a trajectory evaluator for scoring generation quality and designing a provably sound KL-Lipschitz-constrained score maximization scheme to ensure safe and efficient generalization beyond the offline dataset. A practical algorithm incorporating the synchronous coupling technique is further devised to ensure the model regularity required by the proposed scheme. Extensive experiments on both simulated and real-world advertising systems demonstrate the state-of-the-art performance of our approach.

The multi-commodity flow (MCF) problem is a fundamental topic in network flow and combinatorial optimization, with broad applications in transportation, communication, and logistics, etc. Nowadays, the rapid expansion of allocation systems has posed challenges for existing optimization engines in balancing optimality and tractability. In this paper, we present Pram, the first ML-based method that leverages the reasoning power of multimodal language models (MLMs) for addressing the trade-off dilemma—a great need of service providers. As part of our proposal, Pram (i) quickly computes high-quality allocations by dividing the original problem into local subproblems, which are then resolved by an MLM-powered "agent", and (ii) ensures global consistency by harmonizing these subproblems via a multi-agent reinforcement learning algorithm. Theoretically, we show that Pram, which learns to perform gradient descent in context, provably converges to the optimum within the family of MCF problems. Empirically, on real-world datasets and public topologies, Pram achieves performance comparable to, and in some cases even surpassing, linear programming solvers (very close to the optimal solution), and substantially lower runtimes (one to two orders of magnitude faster). Moreover, Pram exhibits strong robustness (<10\% performance degradation under failures or bursts), demonstrating MLM's generalization ability to unforeseen events. Pram is objective-agnostic and seamlessly integrates with mainstream allocation systems, providing a practical and scalable solution for future networks.

Controlling high-dimensional systems in biological and robotic applications is challenging due to expansive state–action spaces, where effective exploration is critical. Commonly used exploration strategies in reinforcement learning are largely undirected with sharp degradation as action dimensionality grows. Many existing methods resort to dimensionality reduction, which constrains policy expressiveness and forfeits system flexibility. We introduce Q-guided Flow Exploration (Qflex), a scalable reinforcement learning method that conducts exploration directly in the native high-dimensional action space. During training, Qflex traverses actions from a learnable source distribution along a probability flow induced by the learned value function, aligning exploration with task-relevant gradients rather than isotropic noise. Our proposed method substantially outperforms representative online reinforcement learning baselines across diverse high-dimensional continuous-control benchmarks. Qflex also successfully controls a full-body human musculoskeletal model to perform agile, complex movements, demonstrating superior scalability and sample efficiency in very high-dimensional settings. Our results indicate that value-guided flows offer a principled and practical route to exploration at scale.

The challenge of coalition formation games lies in efficiently navigating the exponentially large space of possible coalitions to identify the optimal partition. While existing approaches to solve coalition formation games either provide optimal solutions with limited scalability or approximate solutions without quality guarantees, we propose a novel scalable and sample-efficient approximation method based on deep reinforcement learning. Specifically, we model the coalition formation problem as a finite Markov decision process and use deep neural network to approximate optimal coalition structures within the full and abstracted coalition space. Moreover, our method is applicable to bi-level optimization problems in which coalition values are determined by the policies of individual agents at a lower decision-making level. This way, our approach facilitates dynamic, adaptive adjustments to coalition value assessments as they evolve over time. Empirical results demonstrate our algorithm's effectiveness in approximating optimal coalition structures in both normal-form and sequential mixed-motive games.

Reinforcement learning (RL) with large language models shows promise in complex reasoning. However, its progress is hindered by the lack of large-scale training data that is sufficiently challenging, contamination-free and verifiable. To this end, we introduce DeepMath-103K, a large-scale mathematical dataset designed with high difficulty (primarily levels 5-9), rigorous decontamination against numerous benchmarks, and verifiable answers for rule-based RL reward. It further includes three distinct R1 solutions adaptable for diverse training paradigms such as supervised fine-tuning (SFT). Spanning a wide range of mathematical topics, DeepMath-103K fosters the development of generalizable and advancing reasoning. Notably, models trained on DeepMath-103K achieve leading results on challenging mathematical benchmarks and demonstrate generalization beyond math such as biology, physics and chemistry, underscoring its broad efficacy.

Transformers have become increasingly popular in offline reinforcement learning (RL) due to their ability to treat agent trajectories as sequences, reframing policy learning as a sequence modeling task. However, in partially observable environments (POMDPs), effective decision-making depends on retaining information about past events - something that standard transformers struggle with due to the quadratic complexity of self-attention, which limits their context length. One solution to this problem is to extend transformers with memory mechanisms. We propose the Recurrent Action Transformer with Memory (RATE), a novel transformer-based architecture for offline RL that incorporates a recurrent memory mechanism designed to regulate information retention. We evaluate RATE across a diverse set of environments: memory-intensive tasks (ViZDoom-Two-Colors, T-Maze, Memory Maze, Minigrid-Memory, and POPGym), as well as standard Atari and MuJoCo benchmarks. Our comprehensive experiments demonstrate that RATE significantly improves performance in memory-dependent settings while remaining competitive on standard tasks across a broad range of baselines. These findings underscore the pivotal role of integrated memory mechanisms in offline RL and establish RATE as a unified, high-capacity architecture for effective decision-making over extended horizons.

Dexterous manipulation is limited by both control and design, without consensus as to what makes manipulators best for performing dexterous tasks. This raises a fundamental challenge: how should we design and control robot manipulators that are optimized for dexterity? We present a co-design framework that learns task-specific hand morphology and complementary dexterous control policies. The framework supports 1) an expansive morphology search space including joint, finger, and palm generation, 2) scalable evaluation across the wide design space via morphology-conditioned cross-embodied control, and 3) real-world fabrication with accessible components. We evaluate the approach across multiple dexterous tasks, including in-hand rotation with simulation and real deployment. Our framework enables an end-to-end pipeline that can design, train, fabricate, and deploy a new robotic hand in under 24 hours. The full framework will be open-sourced and available on our website.