AI自主发现流体模拟新修正方法,提升精度并自动验证物理合理性。
AI CFD Scientist: Toward Open-Ended Computational Fluid Dynamics Discovery with Physics-Aware AI Agents

- 构建多路径AI代理框架,支持参数搜索、代码编译与开放假设探索。
- 在周期山壁算例中使摩擦系数误差降低7.89%,优于现有基线模型。
- 引入视觉-语言物理验证门,可识别14/16种传统日志未捕获的隐性失败。
近期基于大模型的智能体已在软件驱动的机器学习、化学与生物学研究中实现科学发现闭环。将此闭环扩展至高保真物理仿真仍具挑战,因求解器完成不等于物理有效,且多数错误仅通过场级图像显现而非求解日志。我们提出AI CFD Scientist,首个在单一可追溯流程中覆盖文献驱动构想、验证执行、基于视觉的物理验证、源码修改与图表驱动写作的开源计算流体力学(CFD)AI科学家。该框架包含三重耦合路径:固定求解器内的参数扫描、针对新物理模型的局部C++库编译,以及与参考对比的开放假设搜索,均基于OpenFOAM运行。核心为视觉-语言物理验证门,可在结果被接受、重跑或写入论文前检查渲染的流场。在共享GPT-5.5主干下,该系统自主发现一种Spalart-Allmaras实时修正方法,在Reh=5600的周期山壁算例中使下壁面剪切力均方根误差(RMSE)相比直接数值模拟(DNS)降低7.89%;同等大模型成本下,两个强基线(ARIS、DeepScientist)仅能执行部分工作流,缺乏领域特定的有效性验证机制;受控植入故障消融实验显示,视觉-语言验证门检测到16个沉默错误中的14个,而求解器层面检查未能发现。代码、提示及运行成果已公开于https://github.com/csml-rpi/cfd-scientist。
原文摘要 · Abstract (English)
Recent LLM-based agents have closed substantial portions of the scientific discovery loop in software-only machine-learning research, in chemistry, and in biology. Extending the same loop to high-fidelity physical simulators is harder, because solver completion does not imply physical validity and many failure modes appear only in field-level imagery rather than in solver logs. We present AI CFD Scientist, an open-source AI scientist for computational fluid dynamics (CFD) that, to our knowledge, is the first to span literature-grounded ideation, validated execution, vision-based physics verification, source-code modification, and figure-grounded writing within a single inspectable workflow. Three coupled pathways cover parameter sweeps within a fixed solver, case-local C++ library compilation for new physical models, and open-ended hypothesis search against a reference comparator, all running on OpenFOAM through Foam-Agent. At the center of the framework is a vision-language physics-verification gate that inspects rendered flow fields before any result is accepted, rerun, or written into a manuscript. On five tasks under a shared GPT-5.5 backbone, AI CFD Scientist autonomously discovers a Spalart-Allmaras runtime correction that reduces lower-wall Cf RMSE against DNS by 7.89% on the periodic hill at Reh=5600; under matched LLM cost, two strong general AI-scientist baselines (ARIS, DeepScientist) execute partial CFD workflows but lack the domain-specific validity gates needed to convert runs into defensible scientific claims; and a controlled planted-failure ablation shows that the vision-language gate detects 14 of 16 silent failures missed by solver-level checks. Code, prompts, and run artifacts are released at https://github.com/csml-rpi/cfd-scientist.
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