arXiv:2502.01702cs.LG2025-02被引 4

用大模型自动发现物理规律,让科学建模更智能、更易用。

Al-Khwarizmi: Discovering Physical Laws with Foundation Models

  • 融合大模型与稀疏识别法,自动构建候选函数库和优化配置。
  • 在198个模型上测试,性能比现有方法提升20%。
  • 适合科研人员快速探索数据背后的物理规律。

从数据中推断物理定律是科学与工程的核心挑战,涵盖医疗、物理、生物、社会、可持续发展、气候和机器人等多个领域。深度网络虽精度高但缺乏可解释性,促使人们关注由简单组件构成的可解释模型。稀疏非线性动力学识别(SINDy)方法已成为构建此类模块化、可解释模型的主流方案,其通过带L1正则化的稀疏回归从候选函数库中识别关键项。然而,SINDy对候选库选择和优化方法依赖人工经验,限制了其广泛应用。本文提出Al-Khwarizmi,一种新型智能体框架,结合基础模型与SINDy实现数据驱动的物理定律发现。该框架利用大语言模型(LLMs)、视觉语言模型(VLMs)和检索增强生成(RAG),自动总结系统观测(含文本描述、原始数据和图表),并迭代生成候选特征库与优化器配置,通过反思机制持续改进解。评估显示,在超过198个模型上,该方法达到领先性能,相较最佳替代方案提升20%。

原文摘要 · Abstract (English)

Inferring physical laws from data is a central challenge in science and engineering, including but not limited to healthcare, physical sciences, biosciences, social sciences, sustainability, climate, and robotics. Deep networks offer high-accuracy results but lack interpretability, prompting interest in models built from simple components. The Sparse Identification of Nonlinear Dynamics (SINDy) method has become the go-to approach for building such modular and interpretable models. SINDy leverages sparse regression with L1 regularization to identify key terms from a library of candidate functions. However, SINDy's choice of candidate library and optimization method requires significant technical expertise, limiting its widespread applicability. This work introduces Al-Khwarizmi, a novel agentic framework for physical law discovery from data, which integrates foundational models with SINDy. Leveraging LLMs, VLMs, and Retrieval-Augmented Generation (RAG), our approach automates physical law discovery, incorporating prior knowledge and iteratively refining candidate solutions via reflection. Al-Khwarizmi operates in two steps: it summarizes system observations-comprising textual descriptions, raw data, and plots-followed by a secondary step that generates candidate feature libraries and optimizer configurations to identify hidden physics laws correctly. Evaluating our algorithm on over 198 models, we demonstrate state-of-the-art performance compared to alternatives, reaching a 20 percent increase against the best-performing alternative.

物理规律发现大模型应用可解释模型

Thank you to arXiv for use of its open access interoperability. PaperDance 不是 arXiv 官方产品;中文卡片由大模型生成,请以原文为准。