arXiv:2601.08404cs.LG2026-01被引 2

小数据下用卷积网络高效建模二维物理方程演化,泛化能力强。

Out-of-distribution generalization of deep-learning surrogates for 2D PDE-generated dynamics in the small-data regime

  • 用多通道U-Net结合局部性与周期边界先验,提升小样本建模效果。
  • 仅需约20次模拟训练即实现对未知初值的定性泛化。
  • 在五类方程上优于复杂模型,且训练更快,适合科学计算场景。

偏微分方程(PDE)是建模物理、工程与材料系统动态的核心工具,但高保真仿真计算成本高昂。许多科学问题可视为空间分布场的演化,使得数据驱动预测成为科学机器学习的关键任务。本文研究自回归深度学习代理模型在二维周期域PDE动力学中的表现,重点考察在固定方程与参数范围内对分布外初值的泛化能力,以及严格的小样本设置(每系统最多约10²条模拟轨迹)。提出一种多通道U-Net,在五类不同性质的PDE家族上评估,并与ViT、AFNO、PDE-Transformer和KAN-UNet在统一训练设置下对比。结果表明,me-UNet在场空间误差、谱相似性和物理指标上达到或超过更复杂的架构,且训练时间显著减少;同时可在仅有约20次训练样本时实现对未见初值的定性泛化。数据效率分析与Grad-CAM可视化进一步表明,在小样本周期二维PDE场景中,具有局部性与周期边界先验的卷积结构仍是准确且具备一定分布外鲁棒性的有力候选。

原文摘要 · Abstract (English)

Partial differential equations (PDEs) are a central tool for modeling the dynamics of physical, engineering, and materials systems, but high-fidelity simulations are often computationally expensive. At the same time, many scientific applications can be viewed as the evolution of spatially distributed fields, making data-driven forecasting of such fields a core task in scientific machine learning. In this work we study autoregressive deep-learning surrogates for two-dimensional PDE dynamics on periodic domains, focusing on generalization to out-of-distribution initial conditions within a fixed PDE and parameter regime and on strict small-data settings with at most $\mathcal{O}(10^2)$ simulated trajectories per system. We introduce a multi-channel U-Net [...], evaluate it on five qualitatively different PDE families and compare it to ViT, AFNO, PDE-Transformer, and KAN-UNet under a common training setup. Across all datasets, me-UNet matches or outperforms these more complex architectures in terms of field-space error, spectral similarity, and physics-based metrics for in-distribution rollouts, while requiring substantially less training time. It also generalizes qualitatively to unseen initial conditions with as few as $\approx 20$ training simulations. A data-efficiency study and Grad-CAM analysis further suggest that, in small-data periodic 2D PDE settings, convolutional architectures with inductive biases aligned to locality and periodic boundary conditions remain strong contenders for accurate and moderately out-of-distribution-robust surrogate modeling.

PDE建模小样本学习卷积网络科学机器学习

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