arXiv:2602.18146cs.LGcond-mat.mtrl-sci2026-02

用多尺度图网络预测复杂结构的长期温度变化,稳定且通用。

Stable Long-Horizon Spatiotemporal Prediction on Meshes Using Latent Multiscale Recurrent Graph Neural Networks

  • 双时间尺度耦合的潜空间递归图网络,捕捉网格上时空动态
  • 跨数千步时间保持稳定,2D模拟中精度优于基线方法
  • 适合金属3D打印等多尺度物理系统,可拓展至3D场景

在复杂几何体上准确预测长时间序列的时空场是科学机器学习中的基础挑战,例如在增材制造中,温度历史直接影响缺陷形成与力学性能。高保真仿真虽准确但计算成本高,尽管近期有进展,机器学习方法在长时序温度和梯度预测方面仍面临困难。本文提出一种深度学习框架,直接在网格上预测完整温度历史,以几何形状和工艺参数为条件,可在数千时间步内保持稳定性,并泛化到异构几何体。该框架采用双时间尺度耦合架构,两个模型在互补时间尺度运行;均基于潜空间递归图神经网络捕捉网格上的时空动力学,同时使用变分图自编码器生成紧凑潜表示,降低内存占用并提升训练稳定性。在模拟粉末床熔融数据上的实验表明,该方法在多种几何结构上实现高精度、长时间稳定的预测,优于现有基线。尽管评估限于二维,该框架具有普适性,可扩展至具有多尺度动力学的物理系统及三维几何体。

原文摘要 · Abstract (English)

Accurate long-horizon prediction of spatiotemporal fields on complex geometries is a fundamental challenge in scientific machine learning, with applications such as additive manufacturing where temperature histories govern defect formation and mechanical properties. High-fidelity simulations are accurate but computationally costly, and despite recent advances, machine learning methods remain challenged by long-horizon temperature and gradient prediction. We propose a deep learning framework for predicting full temperature histories directly on meshes, conditioned on geometry and process parameters, while maintaining stability over thousands of time steps and generalizing across heterogeneous geometries. The framework adopts a temporal multiscale architecture composed of two coupled models operating at complementary time scales. Both models rely on a latent recurrent graph neural network to capture spatiotemporal dynamics on meshes, while a variational graph autoencoder provides a compact latent representation that reduces memory usage and improves training stability. Experiments on simulated powder bed fusion data demonstrate accurate and temporally stable long-horizon predictions across diverse geometries, outperforming existing baseline. Although evaluated in two dimensions, the framework is general and extensible to physics-driven systems with multiscale dynamics and to three-dimensional geometries.

时空预测图神经网络多尺度建模3D打印

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