用傅里叶注意力提升物理方程发现的可解释性与效率
Neural Interpretable PDEs: Harmonizing Fourier Insights with Attention for Scalable and Interpretable Physics Discovery
- 基于傅里叶空间的线性注意力机制,实现高效交互建模
- 在多个基准上超越NAO等基线,精度与速度双提升
- 适合需要可解释物理建模的科学计算与工程仿真场景
注意力机制在自然语言处理与计算机视觉中已展现变革性潜力,但在复杂物理系统建模中的应用仍待挖掘。物理系统学习常需从有限函数对中发现映射算子,本质为严重不适定的逆偏微分方程问题。本文提出神经可解释偏微分方程(NIPS),在非局部注意力算子(NAO)基础上改进预测精度与计算效率。NIPS采用线性注意力机制实现可扩展学习,并引入可学习核网络,在傅里叶空间中充当通道无关卷积。该设计避免显式计算与存储大规模成对交互,将空间交互成本有效摊销至傅里叶变换。实验表明,NIPS在多个基准上持续优于NAO及其他基线,标志着可扩展、可解释且高效的物理学习的重要进展。代码与数据详见https://github.com/fishmoon1234/Nonlocal-Attention-Operator。
原文摘要 · Abstract (English)
Attention mechanisms have emerged as transformative tools in core AI domains such as natural language processing and computer vision. Yet, their largely untapped potential for modeling intricate physical systems presents a compelling frontier. Learning such systems often entails discovering operators that map between functional spaces using limited instances of function pairs -- a task commonly framed as a severely ill-posed inverse PDE problem. In this work, we introduce Neural Interpretable PDEs (NIPS), a novel neural operator architecture that builds upon and enhances Nonlocal Attention Operators (NAO) in both predictive accuracy and computational efficiency. NIPS employs a linear attention mechanism to enable scalable learning and integrates a learnable kernel network that acts as a channel-independent convolution in Fourier space. As a consequence, NIPS eliminates the need to explicitly compute and store large pairwise interactions, effectively amortizing the cost of handling spatial interactions into the Fourier transform. Empirical evaluations demonstrate that NIPS consistently surpasses NAO and other baselines across diverse benchmarks, heralding a substantial leap in scalable, interpretable, and efficient physics learning. Our code and data accompanying this paper are available at https://github.com/fishmoon1234/Nonlocal-Attention-Operator.
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