arXiv:2608.27256math.NAcs.LG2026-08

提出新神经算子架构,直接满足狄利克雷边界条件且适配任意几何。

Enforcing Dirichlet Boundary Conditions in Operator Learning

论文配图:Enforcing Dirichlet Boundary Conditions in Operator Learning
图 1 · 摘自论文原文
  • 用拉普拉斯算子的本征函数空间约束输出层,自动满足边界条件。
  • 在二维多孔介质流和亥姆霍兹方程上验证,精度优于传统方法。
  • 适用于任意网格和复杂几何,无需光滑边界或规则区域限制。

科学机器学习中的算子学习关注无限维函数空间间映射的近似,这类映射常来自偏微分方程(PDE)的解算子。神经算子在数据驱动下已展现出广泛的成功。然而,现有大多数神经算子架构通过训练间接施加边界条件,尽管边界条件往往已知精确。现有显式处理边界条件的方法存在不切实际的限制,如边界光滑性、均匀网格和可分离的盒状域。本文提出一种新架构,独立于训练过程即可满足齐次狄利克雷边界条件,同时保持现有核积分神经算子架构的表达能力。该方法通过确保每一层输出均属于输出域上拉普拉斯算子齐次狄利克雷本征函数的子集张成空间来实现。该方法仅需输出域有勒贝格边界,对离散化选择无限制,适用于任意网格数据和一般几何结构。我们证明了该架构的普遍逼近性;此外,分析方法还统一了多种核积分神经算子的理论,覆盖更广泛的算子学习方法。我们在二维PDE的系数到解映射任务中验证:方形域上的达西流和圆形域上的亥姆霍兹方程。与替代方法比较,结果表明该方法具有更高精度与更强泛化能力。

原文摘要 · Abstract (English)

Operator learning in scientific machine learning is concerned with approximation of maps between infinite-dimensional function spaces; such maps frequently arise as the solution operators of partial differential equations (PDEs). Neural operators have demonstrated broad empirical success at approximating such maps from data. However, most existing neural operator architectures enforce boundary conditions indirectly through training from data even though the boundary condition is often known exactly. Furthermore, existing modifications and approaches that do enforce boundary conditions explicitly suffer from impractical restrictions, including boundary smoothness, uniform grids, and separable, box-like domains. In this work, we propose an architecture which, independently of training, satisfies homogeneous Dirichlet boundary conditions, whilst simultaneously retaining the expressivity of existing kernel-integral neural operator architectures. This is achieved by enforcing the property that the output of each layer is contained in the span of a subset of the homogeneous Dirichlet eigenfunctions of the Laplacian on the output domain. The method requires only that the output domain be bounded with Lipschitz boundary and places no restriction on the choice of discretization, making it applicable to arbitrary mesh data and general geometries. We prove universal approximation for the resulting architecture; furthermore the approach we adopt in the analysis proves universality for a broad class of kernel-integral neural operators thereby uniting existing theory for a variety of operator learning methods. We validate the proposed method on maps defined by the coefficient to solution map in 2D PDEs: Darcy flow on a square domain and the Helmholtz equation on a circular domain. Comparisons are made with alternative methods.

神经算子边界条件偏微分方程算子学习

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