arXiv:2602.05352cs.LGmath.SG2026-02

提出更宽松的卷积方法,提升物理动态建模精度

Smoothness Errors in Dynamics Models and How to Avoid Them

  • 设计松弛型单位卷积,平衡平滑性与物理自然演化
  • 在复杂网格上求解热方程、波动方程等任务中优于基线
  • 适用于需自然平滑的物理系统建模,如天气预测

现代神经网络在曲面偏微分方程求解中表现优异,常通过网格离散化并使用网格感知图神经网络(GNN)学习。但传统GNN存在过平滑问题,导致节点特征趋于邻域相似。虽有单位图卷积被提出以保持平滑性,但在扩散等物理系统中,平滑性本应自然增长,单位性反而约束过度。本文系统研究不同GNN在动态建模中的平滑效应,证明单位卷积会损害此类任务性能。为此提出松弛单位卷积,在保留平滑性的同时允许自然平滑。方法进一步从图推广至网格。在复杂网格上的热方程、波动方程及天气预报实验中,所提方法显著优于多个强基线,包括网格感知Transformer和等变神经网络。

原文摘要 · Abstract (English)

Modern neural networks have shown promise for solving partial differential equations over surfaces, often by discretizing the surface as a mesh and learning with a mesh-aware graph neural network. However, graph neural networks suffer from oversmoothing, where a node's features become increasingly similar to those of its neighbors. Unitary graph convolutions, which are mathematically constrained to preserve smoothness, have been proposed to address this issue. Despite this, in many physical systems, such as diffusion processes, smoothness naturally increases and unitarity may be overconstraining. In this paper, we systematically study the smoothing effects of different GNNs for dynamics modeling and prove that unitary convolutions hurt performance for such tasks. We propose relaxed unitary convolutions that balance smoothness preservation with the natural smoothing required for physical systems. We also generalize unitary and relaxed unitary convolutions from graphs to meshes. In experiments on PDEs such as the heat and wave equations over complex meshes and on weather forecasting, we find that our method outperforms several strong baselines, including mesh-aware transformers and equivariant neural networks.

图神经网络物理建模偏微分方程平滑性

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