arXiv:2603.00214cs.SEcs.AI2026-03被引 3

让AI代理通过执行验证构建物理仿真模型,确保结果可复现。

Agentic Scientific Simulation: Execution-Grounded Model Construction and Reconstruction

  • 用执行反馈引导模型构建,以模拟器判定物理合理性
  • 能自动发现并解决建模中的模糊选择,记录假设过程
  • 适合需要高可复现性的科学仿真研究者

大型语言模型代理在代码生成中日益普及,但基于物理的仿真面临更深层挑战:自然语言描述的仿真模型存在本质上的不明确性,对隐含选择的不同合理处理会产生物理有效但科学上不同的配置。若不显式检测和解决这些歧义,结果的正确性和从原始描述的可复现性无法保证。本文研究了代理驱动的科学仿真,将模型构建组织为执行根基的‘理解-行动-验证’循环,使模拟器成为物理有效性权威而非仅运行时工具。我们提出了JutulGPT,基于全微分的Julia流域模拟器JutulDarcy实现。该代理结合结构化文档与示例检索、代码生成、静态分析、执行及求解器诊断的系统性解读。未明确定义的建模选择被显式检测,并自主解决(记录假设)或通过针对性用户提问澄清。结果表明,代理辅助的模型构建可基于模拟器验证而落地,但也揭示结构性缺陷:通过模拟器默认值隐式解决的选择无法被假设日志或下游表示捕获。另一项实验显示,从逐步抽象的文本描述自主重构参考模型时,重构差异暴露了仿真描述中的潜在自由度,并提供了审计可复现性的实用方法。所有代码、提示和代理日志均公开可用。

原文摘要 · Abstract (English)

LLM agents are increasingly used for code generation, but physics-based simulation poses a deeper challenge: natural-language descriptions of simulation models are inherently underspecified, and different admissible resolutions of implicit choices produce physically valid but scientifically distinct configurations. Without explicit detection and resolution of these ambiguities, neither the correctness of the result nor its reproducibility from the original description can be assured. This paper investigates agentic scientific simulation, where model construction is organized as an execution-grounded interpret-act-validate loop and the simulator serves as the authoritative arbiter of physical validity rather than merely a runtime. We present JutulGPT, a reference implementation built on the fully differentiable Julia-based reservoir simulator JutulDarcy. The agent combines structured retrieval of documentation and examples with code synthesis, static analysis, execution, and systematic interpretation of solver diagnostics. Underspecified modelling choices are detected explicitly and resolved either autonomously (with logged assumptions) or through targeted user queries. The results demonstrate that agent-mediated model construction can be grounded in simulator validation, while also revealing a structural limitation: choices resolved tacitly through simulator defaults are invisible to the assumption log and to any downstream representation. A secondary experiment with autonomous reconstruction of a reference model from progressively abstract textual descriptions shows that reconstruction variability exposes latent degrees of freedom in simulation descriptions and provides a practical methodology for auditing reproducibility. All code, prompts, and agent logs are publicly available.

科学仿真AI代理可复现性模型构建

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