arXiv:2410.04655cs.LGcs.AI2024-10被引 5

用图傅里叶核建模多域非线性扩散方程,无需重训练即可快速预测复杂系统演化。

Graph Fourier Neural Kernels (G-FuNK): Learning Solutions of Nonlinear Diffusive Parametric PDEs on Multiple Domains

  • 基于图拉普拉斯构建域自适应组件,结合傅里叶神经算子实现跨域参数迁移。
  • 在多种几何与各向异性扩散场下,对热方程、反应扩散等系统预测误差低。
  • 适用于需快速模拟多域物理系统的场景,如心脏电生理建模与工程仿真。

预测由非线性偏微分方程(PDE)控制的复杂系统在变化参数和域下的时变动态是一项挑战性任务,广泛应用于多个领域。本文提出一种新型神经算子——图傅里叶神经核(G-FuNK),用于学习具有扩散项的非线性PDE在多个域和参数下的解生成器。G-FuNK结合了参数与域自适应组件及不变组件:前者通过离散域上的加权图构造,其图拉普拉斯近似最高阶扩散项,确保边界条件满足并捕捉域与参数特异性行为;后者则利用改进的傅里叶神经算子实现跨域与参数的迁移。该方法自然嵌入几何与方向信息,显著提升新测试域的泛化能力,无需重新训练。为处理时间演化,模型集成了一体化常微分方程求解器。实验表明,G-FuNK在多种几何形状与各向异性扩散场中,对热方程、反应扩散方程及心脏电生理方程均能准确逼近,对未见域与纤维场保持低相对误差,相比传统有限元求解器大幅加速预测。

原文摘要 · Abstract (English)

Predicting time-dependent dynamics of complex systems governed by non-linear partial differential equations (PDEs) with varying parameters and domains is a challenging task motivated by applications across various fields. We introduce a novel family of neural operators based on our Graph Fourier Neural Kernels, designed to learn solution generators for nonlinear PDEs in which the highest-order term is diffusive, across multiple domains and parameters. G-FuNK combines components that are parameter- and domain-adapted with others that are not. The domain-adapted components are constructed using a weighted graph on the discretized domain, where the graph Laplacian approximates the highest-order diffusive term, ensuring boundary condition compliance and capturing the parameter and domain-specific behavior. Meanwhile, the learned components transfer across domains and parameters using our variant Fourier Neural Operators. This approach naturally embeds geometric and directional information, improving generalization to new test domains without need for retraining the network. To handle temporal dynamics, our method incorporates an integrated ODE solver to predict the evolution of the system. Experiments show G-FuNK's capability to accurately approximate heat, reaction diffusion, and cardiac electrophysiology equations across various geometries and anisotropic diffusivity fields. G-FuNK achieves low relative errors on unseen domains and fiber fields, significantly accelerating predictions compared to traditional finite-element solvers.

神经算子偏微分方程图神经网络物理模拟

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