用智能代理自动发现复杂介质中的偏微分方程及其空间系数。
Hypothesize, Evaluate, Refine: A Scientific Agent for PDE Discovery with Unknown Spatial Coefficient Fields

- 通过假设-评估-精炼框架,联合推断微分算子与非参数化空间系数。
- 在5个二维系统中100%恢复原始方程,系数场相关性达0.85,误差为0.28。
- 适合对物理规律自动发现感兴趣的科研人员,无需预设系数形式。
在异质介质中发现偏微分方程(PDE)需同时识别控制算子与未知的空间系数场。这两者相互耦合:改变系数分布会改变微分规律,而足够灵活的系数场可能掩盖单条轨迹上的结构误差。本文提出赫-普德(HER-PDE)科学代理框架,可联合发现组合型PDE结构与非参数化、时不变的系数场。该代理分析由不同激励生成的两条含噪轨迹,提出完整的表达式树假设,并结合创造性结构探索与局部候选优化。其假设评估接口(HEI)仅估计假设中显式声明的系数场,不添加缺失项,通过双向交叉激励传输评分结构。选定的定律随后在封闭时间区间上进行审计。在五组受控二维系统中,观测数据含5%相对高斯状态噪声,该代理在所有案例中均成功恢复生成算子,包括等价的符号场与乘积规则参数化。在九个未知系数场中,恢复场的中位皮尔逊相关系数约为0.85,中位相对L2误差约为0.28。结果表明,代理引导的假设精炼可无需预设参数形式即恢复异质系统的控制规律。
原文摘要 · Abstract (English)
Discovering PDEs in heterogeneous media requires jointly identifying the governing operator and the unknown spatial fields that parameterize it. These tasks are coupled: changing field placement changes the differential law, while a sufficiently flexible field can conceal structural error on a single trajectory. We present Hypothesize, Evaluate, Refine for PDE Discovery (HER-PDE), a scientific-agent framework that discovers compositional PDE structure together with nonparametric, time-invariant coefficient fields. The Agent analyzes two noisy trajectories generated by different excitations, proposes complete expression-tree hypotheses, and combines creative structural exploration with local candidate refinement. Its Hypothesis Evaluation Interface (HEI) estimates only the fields explicitly declared in each hypothesis, never adds missing terms, and scores structures by bidirectional cross-excitation transfer. The selected law is subsequently audited on a sealed temporal interval. Across five controlled two-dimensional systems observed with 5 percent relative Gaussian state noise, the Agent recovers the generating operator in all five cases, including equivalent signed-field and product-rule parameterizations. Across nine unknown coefficient fields, the recovered fields attain a median Pearson correlation of approximately 0.85 and a median relative L2 error of approximately 0.28. These results show that agent-guided hypothesis refinement can recover heterogeneous governing laws without prescribing a parametric form for their spatial coefficients.
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