Hypothesis-Driven Skill Optimization for LLM Agents
Authors: Fangxin Shang, Yehui Yang
Organizations: AI Lab, Qifu Technology, Beijing, China
Abstract
External skills can improve action-oriented LLM agents without changing model weights, but persistent skill updates are risky when they are distilled from sparse or noisy trajectories. A plausible reflection may encode a useful procedure, a spurious shortcut, or a rule that the target executor cannot reliably follow. We propose Hypothesis-Driven Skill Optimization (HDSO), a train-free framework in which both the skill curator and the agent executor are frozen inference endpoints. The curator observes executor traces, proposes a falsifiable hypothesis with an explicit validation plan, instantiates the hypothesis as a candidate skill package, validates the package through paired control/treatment executions, reviews behavior differences, and consolidates only supported candidates into an approved repository. The executor consumes approved skills through progressive disclosure, preserving the executor-only path when no skill is selected. On ALFWorld, HDSO improves executor-only baselines by +6.9 Avg. SR points for Qwen3-8B and +4.0 points for Qwen3.6-27B. Under 20% randomly flipped success/failure feedback during skill discovery and validation, HDSO preserves a +7.1-point gain for Qwen3-8B. Transfer and heterogeneous-pair diagnostics further show that validated repositories can be useful beyond the run that produced them, but cross-model curation succeeds only when curator diagnosis, executor capability, and validation evidence align. HDSO provides an auditable skill lifecycle for frozen action agents rather than an unconstrained memory accumulation procedure.
Although agent skills equip LLMs with reusable procedural knowledge, manual maintenance suffers from high costs, unscalability, and misalignment. Real-world deployments thus require autonomous, on-demand skill evolution at test time, constrained by limited interaction budgets and a lack of training or validation sets. This setting introduces a severe sparse reward challenge, where outcomes conflate multiple latent failure causes. Under such ambiguity, existing methods that greedily refine a single incumbent skill are particularly vulnerable to an exploitation trap, allowing early misdiagnoses to exhaust limited trials along unproductive trajectories. To address this, we introduce SkillHEX, a closed-loop framework coupling hypothesis-driven self-verification with evidence-guided tree search. SkillHEX translates falsifiable failure hypotheses into executable tests, producing diagnostic evidence as dense reward without additional environment attempts. This evidence guides a search over persistent skill-revision branches, dynamically balancing the exploitation of supported edits with the exploration of plausible alternatives. Evaluated on 87 tasks from SkillsBench, SkillHEX outperforms existing self-evolving methods and achieves an average pass rate of 55.9% and 57.9% using GPT-5.3-Codex and Claude Opus 4.7 under a five-iteration budget, respectively.
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.
Agent skills are procedural artifacts that enable LLM agents to execute workflows, verify constraints, and recover from failures. Existing self-evolving methods refine skills using accumulated trajectories. However, they struggle in cold-start settings, where only an initial, imperfect skill is available. Consequently, skill construction defaults to expert authoring or one-shot LLM generation. Expert-authored skills are costly and may not align with how LLM agents actually execute tasks, while one-shot generated skills can be syntactically well formed yet behaviorally weak. To bridge this gap, we propose SkillRevise, an execution-grounded framework designed to iteratively refine these initial skills. SkillRevise diagnoses skill defects from execution evidence, retrieves relevant repair principles from a general memory, and applies execution-anchored edits. By re-executing candidates, it retains the first verifier-passing skill within the revision budget and falls back to empirical utility only when no candidate succeeds. Evaluated across three benchmarks and five LLMs, SkillRevise substantially outperforms one-shot baselines, improving the base agent's success rate on SkillsBench from 36.05% to 61.63%. Furthermore, the revised skills transfer across both executors and task environments, suggesting that SkillRevise captures reusable procedural knowledge beyond any single executor.