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Main Authors: Yang, Jianke, Venkatachalam, Ohm, Kianezhad, Mohammad, Vadgama, Sharvaree, Yu, Rose
Format: Preprint
Published: 2026
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Online Access:https://arxiv.org/abs/2602.12259
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author Yang, Jianke
Venkatachalam, Ohm
Kianezhad, Mohammad
Vadgama, Sharvaree
Yu, Rose
author_facet Yang, Jianke
Venkatachalam, Ohm
Kianezhad, Mohammad
Vadgama, Sharvaree
Yu, Rose
contents Explaining observed phenomena through symbolic, interpretable formulas is a fundamental goal of science. Recently, large language models (LLMs) have emerged as promising tools for symbolic equation discovery, owing to their broad domain knowledge and strong reasoning capabilities. However, most existing LLM-based systems try to guess equations directly from data, without modeling the multi-step reasoning process that scientists often follow: first inferring physical properties such as symmetries, then using these as priors to restrict the space of candidate equations. We introduce KeplerAgent, an agentic framework that explicitly follows this scientific reasoning process. The agent coordinates physics-based tools to extract intermediate structure and uses these results to configure symbolic regression engines such as PySINDy and PySR, including their function libraries and structural constraints. Across a suite of physical equation benchmarks, KeplerAgent achieves substantially higher symbolic accuracy and greater robustness to noisy data than both LLM and traditional baselines.
format Preprint
id arxiv_https___arxiv_org_abs_2602_12259
institution arXiv
publishDate 2026
record_format arxiv
spellingShingle Think like a Scientist: Physics-guided LLM Agent for Equation Discovery
Yang, Jianke
Venkatachalam, Ohm
Kianezhad, Mohammad
Vadgama, Sharvaree
Yu, Rose
Artificial Intelligence
Machine Learning
Explaining observed phenomena through symbolic, interpretable formulas is a fundamental goal of science. Recently, large language models (LLMs) have emerged as promising tools for symbolic equation discovery, owing to their broad domain knowledge and strong reasoning capabilities. However, most existing LLM-based systems try to guess equations directly from data, without modeling the multi-step reasoning process that scientists often follow: first inferring physical properties such as symmetries, then using these as priors to restrict the space of candidate equations. We introduce KeplerAgent, an agentic framework that explicitly follows this scientific reasoning process. The agent coordinates physics-based tools to extract intermediate structure and uses these results to configure symbolic regression engines such as PySINDy and PySR, including their function libraries and structural constraints. Across a suite of physical equation benchmarks, KeplerAgent achieves substantially higher symbolic accuracy and greater robustness to noisy data than both LLM and traditional baselines.
title Think like a Scientist: Physics-guided LLM Agent for Equation Discovery
topic Artificial Intelligence
Machine Learning
url https://arxiv.org/abs/2602.12259