1. Tooling or Not Tooling? The Impact of Tools on Language Agents for Chemistry Problem Solving
- Author
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Yu, Botao, Baker, Frazier N., Chen, Ziru, Herb, Garrett, Gou, Boyu, Adu-Ampratwum, Daniel, Ning, Xia, and Sun, Huan
- Subjects
Computer Science - Artificial Intelligence ,Computer Science - Computational Engineering, Finance, and Science - Abstract
To enhance large language models (LLMs) for chemistry problem solving, several LLM-based agents augmented with tools have been proposed, such as ChemCrow and Coscientist. However, their evaluations are narrow in scope, leaving a large gap in understanding the benefits of tools across diverse chemistry tasks. To bridge this gap, we develop ChemAgent, an enhanced chemistry agent over ChemCrow, and conduct a comprehensive evaluation of its performance on both specialized chemistry tasks and general chemistry questions. Surprisingly, ChemAgent does not consistently outperform its base LLMs without tools. Our error analysis with a chemistry expert suggests that: For specialized chemistry tasks, such as synthesis prediction, we should augment agents with specialized tools; however, for general chemistry questions like those in exams, agents' ability to reason correctly with chemistry knowledge matters more, and tool augmentation does not always help.
- Published
- 2024