# One Policy Is Enough: Single-Agent Reinforcement Learning Outperforms Tree Search for Chemistry Tool Learning

arXiv: https://arxiv.org/abs/2608.30952 · HTML: https://mlsanity.com/paper/2608.30952/

## Key facts

- No citing papers in the map yet (data through 14 Oct 2026).
- Placed in Medical and scientific domain agents, one of 16 directions in LLM agents and tool use.
- Builds on 15 of its 19 references that are in the map.
- First posted on arXiv 31 Aug 2026.

## Placed in

- LLM agents and tool use / [Medical and scientific domain agents](https://mlsanity.com/agents/medical-and-scientific-domain-agents/)
- Deep reinforcement learning methods / [RL for energy, networks and operations](https://mlsanity.com/deeprl/rl-for-energy-networks-and-operations/)

## Builds on (most cited first, 15 of 15)

- [DeepSeekMath: Pushing the Limits of Mathematical Reasoning in Open Language Models](https://mlsanity.com/paper/2402.03300/) (2024)
- [Qwen3 Technical Report](https://mlsanity.com/paper/2505.09388/) (2025)
- [Toolformer: Language Models Can Teach Themselves to Use Tools](https://mlsanity.com/paper/2302.04761/) (2023)
- [ToolLLM: Facilitating Large Language Models to Master 16000+ Real-world APIs](https://mlsanity.com/paper/2307.16789/) (2023)
- [Search-R1: Training LLMs to Reason and Leverage Search Engines with Reinforcement Learning](https://mlsanity.com/paper/2503.09516/) (2025)
- [ChemCrow: Augmenting large-language models with chemistry tools](https://mlsanity.com/paper/2304.05376/) (2023)
- [ReTool: Reinforcement Learning for Strategic Tool Use in LLMs](https://mlsanity.com/paper/2504.11536/) (2025)
- [ToolRL: Reward is All Tool Learning Needs](https://mlsanity.com/paper/2504.13958/) (2025)
- [ToolACE: Winning the Points of LLM Function Calling](https://mlsanity.com/paper/2409.00920/) (2024)
- [SciAgent: Tool-augmented Language Models for Scientific Reasoning](https://mlsanity.com/paper/2402.11451/) (2024)
- [Nemotron-Research-Tool-N1: Exploring Tool-Using Language Models with Reinforced Reasoning](https://mlsanity.com/paper/2505.00024/) (2025)
- [Seal-Tools: Self-Instruct Tool Learning Dataset for Agent Tuning and Detailed Benchmark](https://mlsanity.com/paper/2405.08355/) (2024)
- [CACTUS: Chemistry Agent Connecting Tool-Usage to Science](https://mlsanity.com/paper/2405.00972/) (2024)
- [CheMatAgent: Enhancing LLMs for Chemistry and Materials Science through Tree-Search Based Tool Learning](https://mlsanity.com/paper/2506.07551/) (2025)
- [MatchTIR: Fine-Grained Supervision for Tool-Integrated Reasoning via Bipartite Matching](https://mlsanity.com/paper/2601.10712/) (2026)

## Abstract (arXiv)

Chemistry questions often demand exact computation and database lookups that a language model cannot supply from its parameters, so it must reach for external tools. Tool use here is a three-part problem: select the right tool from a large pool, fill it with correctly typed arguments, and chain calls so that each consumes the outputs of the last. CheMatAgent, a previously published system, addresses this with hierarchical evolutionary MCTS: separate policy and execution models searching tool-call trees under two learned critics, one regressed partly onto GPT-assigned scores. We show that a single policy suffices. Our model interleaves reasoning, tool calls, and returns in one left-to-right generation, trained by a supervised warm-up and then outcome-level reinforcement learning against a programmatic reward read directly off the gold call chain, which leaves no learned critic and no judge in the training loop. On ChemToolBench multiple-tool comprehensive chemistry, on both backbones CheMatAgent use, we improve Tool F1 by 5.5% and Return F1 by 9.6% on Qwen-2.5-7B, and by 3.7% and 3.9% on Llama-3.1-8B, compared with their strongest search configuration, at one model invocation per question, against a search whose cost grows with the tree; we also lead answer Pass Rate on Qwen-2.5-7B.