用智能体+潜在模型自动探索流体方程参数空间,发现新物理规律。
Agentic Exploration of PDE Spaces using Latent Foundation Models for Parameterized Simulations

- 多智能体结合潜在基础模型,实现参数化模拟的连续高效探索。
- 自主测试1600多个参数组合,发现最小位移厚度的双模结构与最大动量厚度线性关系。
- 无需人工干预的闭环科研框架,适合流体力学等偏微分方程系统研究者。
流体物理及由偏微分方程(PDE)支配的物理现象具有本质上的连续性、高维性和混沌性。传统上,研究者依赖实验或计算昂贵的数值模拟来探索这类复杂的时空解空间,严重限制了自动化与大规模探索能力。本文提出将多智能体大语言模型与潜在基础模型(LFM)相结合,LFM是一种对参数化模拟的生成模型,可学习流场的显式、紧凑且解耦的潜在表示,从而在控制参数和边界条件下实现连续探索。该模型作为按需替代模拟器,使智能体以极低成本查询任意参数配置。采用分层智能体架构,通过假设-实验-分析-验证的闭环流程驱动探索,并具备工具模块化接口,无需用户介入。应用于雷诺数Re = 500下的双圆柱绕流问题,该框架自主评估超过1600个参数-位置组合,发现:最小位移厚度呈现依赖于工况的双模结构,最大动量厚度呈稳健线性变化;两者均在近尾迹到共脱落过渡区出现双极值结构。该方法将学习到的物理表征与智能体推理结合,为偏微分方程系统中的自动化科学发现提供了通用范式。
原文摘要 · Abstract (English)
Flow physics and more broadly physical phenomena governed by partial differential equations (PDEs), are inherently continuous, high-dimensional and often chaotic in nature. Traditionally, researchers have explored these rich spatiotemporal PDE solution spaces using laboratory experiments and/or computationally expensive numerical simulations. This severely limits automated and large-scale exploration, unlike domains such as drug discovery or materials science, where discrete, tokenizable representations naturally interface with large language models. We address this by coupling multi-agent LLMs with latent foundation models (LFMs), a generative model over parametrised simulations, that learns explicit, compact and disentangled latent representations of flow fields, enabling continuous exploration across governing PDE parameters and boundary conditions. The LFM serves as an on-demand surrogate simulator, allowing agents to query arbitrary parameter configurations at negligible cost. A hierarchical agent architecture orchestrates exploration through a closed loop of hypothesis, experimentation, analysis and verification, with a tool-modular interface requiring no user support. Applied to flow past tandem cylinders at Re = 500, the framework autonomously evaluates over 1,600 parameter-location pairs and discovers divergent scaling laws: a regime-dependent two-mode structure for minimum displacement thickness and a robust linear scaling for maximum momentum thickness, with both landscapes exhibiting a dual-extrema structure that emerges at the near-wake to co-shedding regime transition. The coupling of the learned physical representations with agentic reasoning establishes a general paradigm for automated scientific discovery in PDE-governed systems.
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