arXiv:2504.02260cs.LGcs.AI2025-04被引 1

用隐式求解器提升物理模型长期预测的稳定性和效率

Implicit Neural Differential Model for Spatiotemporal Dynamics

  • 采用隐式固定点层替代显式递归,实现稳定长时序模拟
  • 在多个偏微分方程系统上预测精度更高,内存占用降低70%以上
  • 适合需要高稳定性与低资源消耗的科学建模任务

通过可微编程实现的神经-物理混合建模框架在科学机器学习中展现出强大能力,能融合已知物理规律与数据驱动学习以提升预测精度和泛化性。然而,现有方法多依赖显式递归结构,在长时序预测中易出现数值不稳定性与误差累积。本文提出Im-PiNDiff,一种新型隐式物理集成神经可微求解器,用于稳定准确地建模时空动态。受深度均衡模型启发,Im-PiNDiff通过隐式固定点层推进状态演化,支持鲁棒长时序仿真并保持端到端可微。为实现高效训练,引入混合梯度传播策略,结合伴随态方法与反向自动微分,无需存储中间求解状态,将内存复杂度与求解迭代次数解耦,显著降低训练开销。进一步采用检查点技术管理长时滚动的内存消耗。在多种时空偏微分方程系统(包括对流-扩散过程、Burgers动力学及多物理场化学气相渗透过程)上的实验表明,Im-PiNDiff在预测性能、数值稳定性以及内存与运行时间成本方面均显著优于显式与朴素隐式基线方法。该工作为混合神经-物理建模提供了原则性、高效且可扩展的框架。

原文摘要 · Abstract (English)

Hybrid neural-physics modeling frameworks through differentiable programming have emerged as powerful tools in scientific machine learning, enabling the integration of known physics with data-driven learning to improve prediction accuracy and generalizability. However, most existing hybrid frameworks rely on explicit recurrent formulations, which suffer from numerical instability and error accumulation during long-horizon forecasting. In this work, we introduce Im-PiNDiff, a novel implicit physics-integrated neural differentiable solver for stable and accurate modeling of spatiotemporal dynamics. Inspired by deep equilibrium models, Im-PiNDiff advances the state using implicit fixed-point layers, enabling robust long-term simulation while remaining fully end-to-end differentiable. To enable scalable training, we introduce a hybrid gradient propagation strategy that integrates adjoint-state methods with reverse-mode automatic differentiation. This approach eliminates the need to store intermediate solver states and decouples memory complexity from the number of solver iterations, significantly reducing training overhead. We further incorporate checkpointing techniques to manage memory in long-horizon rollouts. Numerical experiments on various spatiotemporal PDE systems, including advection-diffusion processes, Burgers' dynamics, and multi-physics chemical vapor infiltration processes, demonstrate that Im-PiNDiff achieves superior predictive performance, enhanced numerical stability, and substantial reductions in memory and runtime cost relative to explicit and naive implicit baselines. This work provides a principled, efficient, and scalable framework for hybrid neural-physics modeling.

物理信息隐式模型时空建模可微求解器

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