arXiv:2605.08318cs.LGcs.AI2026-05

用多尺度注意力取代傅里叶变换,提升不规则区域微分方程求解精度与速度。

When Attention Beats Fourier: Multi-Scale Transformers for PDE Solving on Irregular Domains

  • 将时空解历史编码为令牌序列,通过端到端训练实现多尺度注意力建模。
  • 在复杂几何问题上相对误差低至0.0101,推理时间仅34秒(比Mamba-NO快3550倍)。
  • 揭示物理先验的适用边界:对扩散问题有益,但会恶化混沌流动场景泛化能力。

我们研究深度学习模型求解偏微分方程(PDE)时的架构选择问题,探讨基于注意力机制的Transformer是否优于傅里叶域神经算子。提出多尺度注意力变压器( extbf{Multi-Scale Attention Transformer}, exttt{MSAT}),将时空解历史编码为令牌序列,通过复合监督目标进行端到端训练,并可选加入物理信息正则项。在来自PINNacle套件的五个基准问题上,与九种基线方法(包括PINNs、FNO、DeepONet、GNOT和状态空间模型Mamba-NO)进行对比,所有方法使用相同训练/测试划分和参考数据。 exttt{MSAT} 在复杂几何问题上取得当前最优泛化性能(热传导2D-CG任务上相对 $L^2$ 误差为0.0101,较FNO提升3.7倍),总推理时间仅34秒,远低于Mamba-NO的120,812秒。消融实验表明,物理正则项存在明确归纳偏差权衡:在扩散主导问题中降低测试误差,但在混沌与回流区域反而损害泛化能力,直接刻画了先验错配边界。基于域边界复杂度 $κ$ 的近似误差界为这些实证发现提供了理论基础,并给出了架构选择的合理准则。

原文摘要 · Abstract (English)

We study the problem of \emph{architecture selection} for deep learning models trained to solve partial differential equations (PDEs), asking when transformer-based architectures with learned attention outperform Fourier-domain neural operators. We introduce the \textbf{Multi-Scale Attention Transformer} (\msat{}), a deep learning architecture that encodes spatiotemporal solution histories as token sequences and trains end-to-end via a composite supervised objective with optional physics-informed regularization terms. We conduct a comprehensive empirical evaluation against nine baselines -- including physics-informed neural networks (PINNs), neural operators (FNO, DeepONet, GNOT), and state-space models (Mamba-NO) -- across five benchmark problems from the PINNacle suite, using identical train/test splits and reference data for all methods. \msat{} achieves state-of-the-art generalization on complex geometry problems ($L^2_\mathrm{rel} = 0.0101$ on Heat2D-CG, a $3.7\times$ improvement over FNO) at $34\,\mathrm{s}$ total inference vs.\ $120{,}812\,\mathrm{s}$ for Mamba-NO. Ablation studies over the physics regularization component reveal a precise inductive bias tradeoff: physics priors reduce test error on diffusion-dominated problems but degrade generalization on chaotic and recirculating-flow regimes, directly characterizing the prior misspecification boundary. Approximation error bounds as a function of domain boundary complexity $κ$ provide a theoretical basis for these empirical findings and a principled rule for architecture selection.

PDE求解Transformer多尺度建模物理信息

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