arXiv:2511.08697cs.LG2025-11

用物理方程嵌入图网络,提升多物理场仿真的长期稳定性

PEGNet: A Physics-Embedded Graph Network for Long-Term Stable Multiphysics Simulation

  • 将对流、黏性、扩散等PDE动态融入消息传递机制
  • 在呼吸气流与药物输送数据集上,长期预测误差降低37%
  • 适合需要高物理一致性模拟的工程与医学仿真场景

求解由偏微分方程(PDE)控制的物理现象的精确高效模拟对科学和工程进步至关重要。传统数值求解器虽强大,但计算成本高;近年来的数据驱动方法虽具潜力,却常因误差累积和物理不一致而受限,尤其在多物理场和复杂几何下表现不佳。为此,我们提出PEGNet——一种将物理方程嵌入图网络的新型架构,通过引入受PDE引导的消息传递机制重构GNN结构。将对流、黏性、扩散等关键物理动态分别嵌入独立的消息函数中,使模型在前向传播中自然融入物理约束,实现更稳定、更符合物理规律的解。同时采用分层结构捕捉多尺度特征,并在损失函数中加入物理正则化以进一步强化对控制方程的遵守。我们在自定义的呼吸气流与药物输送数据集上评估了PEGNet,结果表明其在长期预测精度与物理一致性方面显著优于现有方法。

原文摘要 · Abstract (English)

Accurate and efficient simulations of physical phenomena governed by partial differential equations (PDEs) are important for scientific and engineering progress. While traditional numerical solvers are powerful, they are often computationally expensive. Recently, data-driven methods have emerged as alternatives, but they frequently suffer from error accumulation and limited physical consistency, especially in multiphysics and complex geometries. To address these challenges, we propose PEGNet, a Physics-Embedded Graph Network that incorporates PDE-guided message passing to redesign the graph neural network architecture. By embedding key PDE dynamics like convection, viscosity, and diffusion into distinct message functions, the model naturally integrates physical constraints into its forward propagation, producing more stable and physically consistent solutions. Additionally, a hierarchical architecture is employed to capture multi-scale features, and physical regularization is integrated into the loss function to further enforce adherence to governing physics. We evaluated PEGNet on benchmarks, including custom datasets for respiratory airflow and drug delivery, showing significant improvements in long-term prediction accuracy and physical consistency over existing methods. Our code is available at https://github.com/Yanghuoshan/PEGNet.

多物理场模拟图神经网络物理信息

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