用大模型生成方程猜想,结合分段加权残差,从噪声数据中精准发现物理方程。
LLM-PDESR: Robust PDE Discovery via Subdomain Weighted Residuals and LLM-Guided Symbolic Hypothesis Generation

- 借助大模型生成符号假设,结合分段加权残差进行鲁棒求导与误差评估。
- 在23个经典方程和5个新结构方程上均实现高精度结构恢复,噪声容忍度显著提升。
- 适合需要从真实观测数据中自动发现物理规律的研究者,尤其适用于含噪气象数据。
从噪声观测数据中发现控制偏微分方程(PDE)是科学机器学习的核心挑战。传统符号回归(SR)方法常因无法融入领域先验知识,在庞大组合搜索空间中表现不佳,且依赖点值评估与离散差分会放大高频噪声,导致优化过程陷入虚假适应的损失景观。为此,我们提出LLM-PDESR框架,融合大语言模型(LLMs)的结构假设生成能力与数学严谨的评估环境。通过采用C^4连续五次样条实现鲁棒微分,以子域加权残差作为天然低通滤波器,有效缓解现有方法中的损失景观扭曲问题。基于帕累托驱动的反馈机制,促使大模型迭代优化候选方程,平衡预测精度与结构简洁性。我们在23个典型PDE及5个结构性新颖方程(包括多变量系统)上测试,这些方程专门设计以避免数据记忆,检验真正的发现能力。为验证实际应用价值,该框架成功从含噪的ERA5再分析数据中提取出可解释的一维动力学代理模型(1D-CACE)的稳定结构骨架。大量实验与分布外测试表明,LLM-PDESR在结构恢复、抗噪性以及避免虚假复杂性方面显著优于当前最优方法。
原文摘要 · Abstract (English)
Discovering governing partial differential equations (PDEs) from noisy observational data is a fundamental challenge in scientific machine learning. Traditional symbolic regression (SR) methods often struggle to identify accurate equations within vast combinatorial search spaces, largely due to their inability to incorporate essential domain-specific prior knowledge. Furthermore, reliance on pointwise evaluations and discrete finite differences inherently amplifies high-frequency noise, creating deceptive fitness landscapes that derail the optimization process. To resolve these bottlenecks, we propose LLM-PDESR, a framework that integrates the structural hypothesis generation of Large Language Models (LLMs) with a mathematically rigorous evaluation environment. By employing C^4-continuous quintic splines for robust differentiation and subdomain weighted residuals as natural low-pass filters, our approach effectively mitigates the fitness landscape distortion that plagues existing methods. A Pareto-driven feedback loop then enables the LLM to iteratively refine candidate equations, balancing predictive accuracy with structural parsimony. We evaluate LLM-PDESR on 23 canonical PDEs and five structurally novel equations (including a multivariate system) specifically designed to preclude dataset memorization and test true discovery capabilities. Demonstrating real-world applicability, the framework successfully extracts a consistent structural skeleton for an interpretable 1D dynamical surrogate (1D-CACE) directly from noisy ERA5 reanalysis data. Extensive experiments and out-of-distribution testing confirm that LLM-PDESR significantly outperforms state-of-the-art methodologies in structural recovery, noise resilience, and the avoidance of spurious complexity and equation bloat.
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