用物理方程残差预训练,让模型更通用、更抗噪。
Paving the way for scientific foundation models: enhancing generalization and robustness in PDEs with constraint-aware pre-training
- 用PDE残差作为主要信号进行预训练
- 在新物理和噪声数据下表现显著优于纯数据训练
- 适合需要少数据、强泛化的科学计算场景
偏微分方程(PDE)描述了广泛的物理系统,但高效求解仍是重大挑战。科学基础模型(SciFM)有望在不同领域间学习可迁移表征,但其训练需大量解数据,而这些数据可能稀缺或生成成本高。为提升泛化能力并减少对数据的依赖,我们提出将PDE残差融入预训练过程,作为唯一学习信号或与数据损失结合,以弥补数据不足或不可行的问题。我们在三个关键基准上评估:(i) 新物理场景下的泛化,如扩散系数偏离训练分布;(ii) 完全新的PDE类型,需适应不同算子;(iii) 对噪声微调数据的鲁棒性,确保实际应用中的稳定性。结果表明,基于PDE约束的预训练显著提升泛化性能,在所有基准上均优于仅依赖解数据训练的模型。该方法验证了约束感知预训练作为SciFM关键组件的有效性,为数据高效、可泛化PDE求解器提供了可扩展方案。
原文摘要 · Abstract (English)
Partial differential equations (PDEs) govern a wide range of physical systems, but solving them efficiently remains a major challenge. The idea of a scientific foundation model (SciFM) is emerging as a promising tool for learning transferable representations across diverse domains. However, SciFMs require large amounts of solution data, which may be scarce or computationally expensive to generate. To maximize generalization while reducing data dependence, we propose incorporating PDE residuals into pre-training either as the sole learning signal or in combination with data loss to compensate for limited or infeasible training data. We evaluate this constraint-aware pre-training across three key benchmarks: (i) generalization to new physics, where material properties, e.g., the diffusion coefficient, is shifted with respect to the training distribution; (ii) generalization to entirely new PDEs, requiring adaptation to different operators; and (iii) robustness against noisy fine-tuning data, ensuring stability in real-world applications. Our results show that pre-training with PDE constraints significantly enhances generalization, outperforming models trained solely on solution data across all benchmarks. These findings prove the effectiveness of our proposed constraint-aware pre-training as a crucial component for SciFMs, providing a scalable approach to data-efficient, generalizable PDE solvers.
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