提出物理引导的不变学习方法,实现微分方程动态预测的零样本泛化。
Towards Generalizable PDE Dynamics Forecasting via Physics-Guided Invariant Learning
- 基于双层物理不变性设计混合算子专家架构
- 在多个模拟与真实场景中实现零样本外分布泛化
- 适合需要跨域泛化的科学计算与工程仿真任务
基于深度学习的偏微分方程(PDE)时空动力学预测在众多科学与工程问题中至关重要。由于真实物理环境中的系统参数多变,如何在少量训练数据下实现对未见分布(OOD)场景的泛化成为关键挑战。现有方法虽尝试挖掘跨PDE轨迹的通用表征,但零样本泛化能力仍不足,因测试时需额外样本进行领域自适应。根本原因在于未充分研究或整合PDE系统中的物理不变性。为此,本文首次明确定义双重PDE不变性原则:基础算子及其组合关系在不同领域和演化过程中保持不变。据此提出物理引导的不变学习方法iMOOE,包含不变性对齐的混合算子专家架构与频域增强的不变性学习目标。大量实验在模拟基准与真实应用中验证了iMOOE在分布内性能与多种OOD场景下的零样本泛化能力优势。
原文摘要 · Abstract (English)
Advanced deep learning-based approaches have been actively applied to forecast the spatiotemporal physical dynamics governed by partial differential equations (PDEs), which acts as a critical procedure in tackling many science and engineering problems. As real-world physical environments like PDE system parameters are always capricious, how to generalize across unseen out-of-distribution (OOD) forecasting scenarios using limited training data is of great importance. To bridge this barrier, existing methods focus on discovering domain-generalizable representations across various PDE dynamics trajectories. However, their zero-shot OOD generalization capability remains deficient, since extra test-time samples for domain-specific adaptation are still required. This is because the fundamental physical invariance in PDE dynamical systems are yet to be investigated or integrated. To this end, we first explicitly define a two-fold PDE invariance principle, which points out that ingredient operators and their composition relationships remain invariant across different domains and PDE system evolution. Next, to capture this two-fold PDE invariance, we propose a physics-guided invariant learning method termed iMOOE, featuring an Invariance-aligned Mixture Of Operator Expert architecture and a frequency-enriched invariant learning objective. Extensive experiments across simulated benchmarks and real-world applications validate iMOOE's superior in-distribution performance and zero-shot generalization capabilities on diverse OOD forecasting scenarios.
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