arXiv:2603.07655cs.LGmath.AP2026-03被引 2

对比经典与机器学习解PDE方法,提出融合设计原则。

Partial Differential Equations in the Age of Machine Learning: A Critical Synthesis of Classical, Machine Learning, and Hybrid Methods

  • 从六类计算挑战出发,统一评估经典与机器学习方法
  • 揭示两类方法本质差异:演绎式误差可控,归纳式依赖训练数据
  • 提出三类互补关系与混合模型设计框架,适配科研与工程应用

偏微分方程(PDE)描述跨科学尺度的物理现象,但其数值求解仍是现代科学的核心挑战。本文通过一个围绕六个基础计算难题的统一评价框架,批判性审视两类成熟但认知范式不同的求解方法:经典数值方法与机器学习方法。经典方法具有保结构特性、严格收敛理论和可扩展求解器设计,但在高维与几何复杂场景下存在固有局限。机器学习方法按物理知识融入程度分类,并接受与经典方法相同的严格评估。经典方法为演绎式——误差可由PDE结构与离散参数推导出;机器学习方法为归纳式——精度取决于与训练分布的统计接近性。这一认识论差异是合理方法选择的核心依据。本文识别出三类真实互补性,并发展混合设计原则,包括解决结构继承问题的框架(判断经典保证能否在混合耦合中传递),以及将误差分解为离散化、神经近似与耦合贡献的预算机制。此外,评估了基础模型、可微编程、量子算法和百亿亿级协同设计等前沿方向,分析当前障碍是否源于根本限制或工程进展不足。

原文摘要 · Abstract (English)

Partial differential equations (PDEs) govern physical phenomena across the full range of scientific scales, yet their computational solution remains one of the defining challenges of modern science. This critical review examines two mature but epistemologically distinct paradigms for PDE solution, classical numerical methods and machine learning approaches, through a unified evaluative framework organized around six fundamental computational challenges. Classical methods are assessed for their structure-preserving properties, rigorous convergence theory, and scalable solver design; their persistent limitations in high-dimensional and geometrically complex settings are characterized precisely. Machine learning approaches are introduced under a taxonomy organized by the degree to which physical knowledge is incorporated and subjected to the same critical evaluation applied to classical methods. Classical methods are deductive -- errors are bounded by quantities derivable from PDE structure and discretization parameters -- while machine learning methods are inductive -- accuracy depends on statistical proximity to the training distribution. This epistemological distinction is the primary criterion governing responsible method selection. We identify three genuine complementarities between the paradigms and develop principles for hybrid design, including a framework for the structure inheritance problem that addresses when classical guarantees propagate through hybrid couplings, and an error budget decomposition that separates discretization, neural approximation, and coupling contributions. We further assess emerging frontiers, including foundation models, differentiable programming, quantum algorithms, and exascale co-design, evaluating each against the structural constraints that determine whether current barriers are fundamental or contingent on engineering progress.

偏微分方程机器学习混合方法科学计算

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