Rethinking Self-Evolution: A Constrained Exploration-Exploitation Process for Mitigating Skill Overfitting

Large language model (LLM) agents can benefit from reusable skills distilled from prior task experience, yet existing skill optimization methods often rely on costly execution-based evaluation and substantial task data. We introduce \textbf{COBRA-Skills}, an efficient framework that formulates skill optimization as budgeted sequential optimization over a dynamically evolving candidate space. COBRA-Skills couples contextual-bandit-guided prioritization with evidence-grounded skill evolution, selectively allocating evaluations to promising or informative candidates while continually refining the skill population from execution feedback. Across six heterogeneous agent benchmarks and three target models, COBRA-Skills consistently achieves the strongest average performance among compared methods, while reducing optimization cost by 55--58% relative to SkillOpt and using only 50 unique optimization examples per benchmark. Further analyses show that COBRA-Skills remains robust to changes in the agent harness and performs effectively when the target model itself is used for skill generation and refinement.

LLM training is shifting from manual design and annotation to interaction-driven self-evolution. However, existing self-evolutionary methods face a fundamental dilemma between task diversity and verification reliability: environment-bound methods obtain precise feedback but confine learning to narrow domains, while open-ended self-generation broadens the task space but lacks reliable verification, allowing misleading rewards to pollute the training loop. We identify agent skills as a powerful middle ground to reconcile this tension: each skill ensures deep, verifiable execution in a specific scenario, while dynamic routing across skills maintains open-ended task variety. Leveraging this insight, we introduce Skill Self-Play (Skill-SP), a co-evolutionary framework comprising a proposer, a solver, and a dynamic skill controller. Orchestrated via a reinforcement learning loop, these components co-evolve in a continuous self-play loop: the proposer generates challenging tasks conditioned on dynamically sampled skills; the solver explores candidate solutions to push its capability boundaries; and the skill controller collects execution feedback to update and expand the skill library. This interactive co-evolution effectively bridges the gap between structured verification and open-ended exploration. Empirical evaluations on tool-use and reasoning benchmarks demonstrate that Skill-SP, serving as a robust evolution engine, consistently pushes the performance ceiling of competent backbones while catalyzing striking turnarounds for initially misaligned models. Our code is available at https://github.com/Qwen-Applications/skill-self-play.

Agent skills provide a lightweight way to adapt LLM agents to specialized domains by storing reusable procedural knowledge in structured files. However, whether downloaded from third parties or self-generated, these skills are often unreliable, incomplete, or outdated. Existing skill-evolution methods often address these deficiencies through heuristic reflections without an explicit optimization formulation. In this paper, we propose SkillGrad, a gradient-descent-inspired framework for optimizing agent skills. SkillGrad treats the skill package as a structured parameter to optimize in a gradient descent fashion: task executions provide trajectory-level loss evidence, automatic diagnoses then provide text-based gradients that indicate the correction directions. To stabilize optimization across iterations, a momentum agent accumulates recurring diagnostic patterns into a persistent memory overlay. Finally, an LLM-based patcher executes the parameter update by applying layer-aware edits to the skill package. Evaluated on SpreadsheetBench Verified and WikiTableQuestions, SkillGrad consistently outperforms training-based skill evolution baselines across two backbone LLMs, improving over the strongest training-based baseline by $6.7$ percentage points on average. Ablations further show that momentum and contrastive diagnosis both contribute to the final skill quality.