用大模型自动完成燃烧模拟全流程,从论文解读到结果优化。
Towards LLM-enabled autonomous combustion research: A literature-aware agent for self-corrective modeling workflows
- 基于大模型构建可自我纠错的燃烧模拟代理,整合文献与CFD工具
- 在公开基准上实现1.0可执行率和0.438成功率,优于此前最佳
- 能自主读论文、设参数、调参并给出改进建议,适合科研人员协作
大型语言模型正推动人工智能成为自主研究伙伴,但在燃烧建模等复杂科学领域仍存在显著差距。本文提出火焰领航员(FlamePilot),一个专为燃烧建模设计的LLM代理,通过自动化且自纠正的计算流体动力学(CFD)工作流,实现文献知识与高性能仿真工具的无缝融合。其架构采用原子化工具,支持OpenFOAM及DeepFlame等扩展框架的复杂模拟设置与执行。系统能从科学文献中提取关键信息,指导从初始配置到优化结果的全过程。在公开基准测试中,火焰领航员达成1.0的可执行率和0.438的成功率,超越此前最佳结果(0.625和0.250)。一项针对中低氧稀释(MILD)燃烧的案例研究显示,该代理可自主将研究论文转化为仿真配置,完成模拟、后处理、提出基于证据的优化建议,并在极少人工干预下完成多步参数寻优直至收敛。通过透明可解释的设计,火焰领航员为人工智能赋能的燃烧建模奠定基础,构建人机协同的研究新模式。
原文摘要 · Abstract (English)
The rapid evolution of large language models (LLMs) is transforming artificial intelligence into autonomous research partners, yet a critical gap persists in complex scientific domains such as combustion modeling. Here, practical AI assistance requires the seamless integration of domain literature knowledge with robust execution capabilities for expertise-intensive tools such as computational fluid dynamics (CFD) codes. To bridge this gap, we introduce FlamePilot, an LLM agent designed to empower combustion modeling research through automated and self-corrective CFD workflows. FlamePilot differentiates itself through an architecture that leverages atomic tools to ensure the robust setup and execution of complex simulations in both OpenFOAM and extended frameworks such as DeepFlame. The system is also capable of learning from scientific articles, extracting key information to guide the simulation from initial setup to optimized results. Validation on a public benchmark shows FlamePilot achieved a perfect 1.0 executability score and a 0.438 success rate, surpassing the prior best reported agent scores of 0.625 and 0.250, respectively. Furthermore, a detailed case study on Moderate or Intense Low-oxygen Dilution (MILD) combustion simulation demonstrates its efficacy as a collaborative research copilot, where FlamePilot autonomously translated a research paper into a configured simulation, conducted the simulation, post-processed the results, proposed evidence-based refinements, and managed a multi-step parameter study to convergence under minimal human intervention. By adopting a transparent and interpretable paradigm, FlamePilot establishes a foundational framework for AI-empowered combustion modeling, fostering a collaborative partnership where the agent manages workflow orchestration, freeing the researcher for high-level analysis.
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