Look Before You Leap: Autonomous Exploration for LLM Agents

Large Language Models (LLMs) as agents often fail to improve in new environments. We identify and characterize a failure mode we call exploration collapse: under reinforcement learning (RL) in environments whose states are unfamiliar to the policy, Pass@k, the probability that at least one of k sampled trajectories succeeds, drops markedly over training even as Pass@1 edges up, revealing increasingly brittle exploration; environments closer to the pretraining distribution show no such decline. We trace this collapse to weak grounding in environment states and dynamics, and study a simple remedy: explicitly teaching the agent to estimate the current state and predict its transitions before optimizing for reward. We instantiate it as SPA, an explore-then-exploit recipe that cold-starts the policy with a Self-Experience supervised finetuning (SFT) stage, collecting the model's own interaction trajectories and supervising state and next-state prediction, and then runs standard RL. The resulting world model serves as a grounded initialization for RL rather than an inference-time planner. Across unseen environments, SPA consistently and substantially improves over vanilla RL: for example, it raises the Sokoban success rate from 25.6% to 59.8% on Qwen2.5-1.5B-Instruct, letting sub-3B models surpass a 20B baseline on these tasks. Controlled studies indicate that the gains track four factors: grounded state representations, explicit transition modeling, self-experience trajectories from a sufficiently strong exploration policy, and adequate coverage of transition data.

We study proactive exploration in LLM agents, i.e., the ability to explore an environment to acquire information that improves future decision-making. In this regard, we first identify two fundamental bottlenecks that hinder this capability and then propose \ours, a novel method designed to instill and refine proactive exploration. Specifically, \ours\ consists of two components: (1) Exploratory Data Construction, which synthesizes exploration-rich trajectories to mitigate the hindsight bias of standard demonstrations; and (2) RL Optimization with Contrastive Signal Guidance, which leverages contrastive trajectory pairs to distinguish productive exploration from redundant wandering. Extensive experiments demonstrate the effectiveness of \ours\ and provide insights into the characteristics of proactive exploration. Our code is available at: https://github.com/GuanZhizhao/SAFARI.

Recent advancements in agentic test-time scaling allow models to gather environmental feedback before committing to final actions. A key limitation of existing methods is that they typically employ undifferentiated exploration strategies, lacking the ability to adaptively distinguish when exploration is truly required. In this paper, we propose an exploration-aware reinforcement learning framework that enables LLM agents to adaptively explore only when uncertainty is high. Our method introduces a fine-grained reward function via variational inference that explicitly evaluates exploratory actions by estimating their potential to improve future decision-making, together with an exploration-aware grouping mechanism that separates exploratory actions from task-completion actions during optimization. By targeting informational gaps, this design allows agents to explore selectively and transition to execution as soon as the task context is clear. Empirically, we demonstrate that our approach achieves consistent improvements across a range of challenging text-based and GUI-based agent benchmarks. Code is available at https://github.com/HansenHua/EAPO-ICML26 and models are available at https://huggingface.co/hansenhua/EAPO-ICML26.