HarnessFlow: MCTS-Guided Harness Optimization for LLM Agents

As LLMs are increasingly deployed within agentic systems, their capabilities depend not only on the model weights but also on the harness: the prompts, tools, control flow, memory, and orchestration code surrounding them. This makes automated harness optimization -- the iterative and evaluation-guided improvement of a harness by an AI system -- both an important route to improving AI systems and a demanding capability for AI systems themselves. Yet the community lacks a common protocol for measuring how well frontier LLMs perform at this task. We introduce HarnessOpt-Bench, a benchmark for end-to-end harness optimization under expensive and stochastic evaluation. An optimizer, an LLM paired with a coding harness, receives a target agent's seed harness, graded evaluation feedback, and a fixed target-evaluation budget. It edits the harness and nominates a final candidate, which is scored by its normalized gain over the seed on a held-out test partition that remains inaccessible throughout search. A trusted execution environment enforces the evaluation boundary, meters target-agent resource use, and preserves candidate versions for audit. We evaluate 5 frontier LLMs as optimizers both under a shared coding harness and under their native harnesses across 4 downstream tasks, over 111 scored runs. Experiment results show that optimizer models separate more than the coding harnesses they act through, native harnesses are not consistently superior, and gains vary substantially across tasks and seed regimes. These results establish harness optimization as a measurable and discriminative capability with large space for improvement.

An agent harness is the code that organizes context, maintains state, and coordinates tool calls for a language model. We study how to improve the harness under a limited evaluation budget while keeping model weights fixed. Our method, MESH-Harness, organizes each harness into functional modules with explicit role-specific interfaces, allowing alternative implementations of each module to be substituted and recombined. It uses shared module representations and full-covariance LinUCB to score candidate combinations based on predicted performance and exploration value. Mixed-start coordinate ascent selects complete configurations for evaluation without enumerating the combinatorial space. Validation traces then guide local code edits, and the resulting candidates are incorporated into fixed-capacity role-specific pools for subsequent recombination. On text tasks, retrieval-augmented mathematical reasoning, code generation, and interactive scientific tasks, MESH-Harness outperforms Meta-Harness by 5.70, 7.01, 2.00, and 5.00 points, respectively, under matched candidate-evaluation budgets. Iterative harness optimization improves MESH-Harness by 5.63-7.79 points over its first-round configurations. For the reported configurations, aggregate test-time cost is 44.2% lower than that of Meta-Harness, while total cost including search is 14.6% lower. These results show that combining module-level design reuse with feedback-driven compositional search can systematically improve agent harnesses while keeping overall optimization cost under control.

As agents move from research prototypes to deployed tools, their capability increasingly depends on model-external execution infrastructure, commonly termed the agent harness. Changing this harness while holding model weights fixed can substantially alter task performance. Current agent evaluations typically report downstream performance under a chosen harness, leaving a model's ability to develop the harness itself comparatively underexplored. We introduce HarnessDev, a benchmark that shifts the unit of evaluation from task outputs to runnable infrastructure. HarnessDev covers two stages. In Creation, the agent starts from a minimal seed and a small number of cases, then builds a complete execution system. In Evolution, it starts from its own created harness and iteratively revises it using downstream execution feedback, with the goal of improving benchmark performance. We then evaluate each constructed harness on capability (task success on held-out benchmarks) and efficiency (execution-token cost). The reported Creation results cover six creator LLMs, four domains, and five downstream benchmarks totaling 2,207 unique downstream instances, with hidden evaluation tasks withheld from development. We find that generated harnesses remain substantially behind mature human-engineered references on code and on search and research, while matching or exceeding the selected references on writing and machine-learning experimentation, with large variation in execution cost. Evolution produces some performance gains, but they are unstable and transfer only partially to held-out tasks. Experiments with a fixed runtime model further show that the gains depend strongly on the model executing the harness, indicating limited transfer across models.