让神经算子像积木一样组装,且保证计算稳定、误差可控。
Convex Neural Energy Elements: Monolithic Finite-Element Assembly of Geometry-Parameterized Neural Operators with Stability and Error Guarantees

- 把神经算子设计成带能量函数的几何可参数化单元,确保组装后系统稳定
- 在未知几何上实现0.6%-1.0%的低误差,单次设置提速175倍
- 适用于热传导、弹性等多物理场景,支持跨类型混合组装
将神经算子单元方法从固定几何、独立训练扩展到可复用的几何参数化单元时,传统基于值回归的场预测器会导致能量函数的海森矩阵不定,使牛顿法收敛至虚假极小点(误差高达247%),即使场预测准确率达1%。本文提出凸神经能量单元:每个单元输出标量能量E(g,U),在边界自由度U上架构凸性,几何参数g平滑控制,由超网络生成半正定二次型(非二次物理保留输入凸修正)。引入正则化-零空间原则——正则化项的零空间必须包含物理零空间——消除不可约偏差,组装后全局系统保持正定。证明了条件误差界(能量到解的精度、单元数量缩放、几何泛化能力),并实验验证。在含椭圆孔的热传导问题中,一个训练好的单元可组装成2×2至8×8网格及未见的L形布局,相对L2误差为0.6%-1.0%,边界量求解每几何体提速175倍。第二个单元类型可与第一个在单一装配中自由混合,三维实例在八单元组装中达到0.23%误差——保证对类型和维度均无关。平面应变弹性单元的物理零空间为三维,其结果恰达理论预测的正则化下限。将能量作为学习目标,使神经算子从一次性代理变为可复用单元,继承所扩展方法的装配保障。
原文摘要 · Abstract (English)
Extending the neural-operator element method from individually trained, fixed-geometry neural elements to a library of reusable, geometry-parameterized element types fails structurally: a field-predicting operator trained by value regression induces an energy whose assembled Hessian is indefinite, and Newton converges to spurious minima (247% error) even with 1%-accurate field predictions. We introduce convex neural energy elements: each element exports a scalar energy E(g,U), architecturally convex in its boundary degrees of freedom U and smoothly parameterized by its geometry g, realized as a hypernetwork-generated positive-semidefinite quadratic form (an input-convex correction is reserved for non-quadratic physics). A regularization-nullspace principle--the regularizer's nullspace must contain the physics nullspace--removes an otherwise irreducible bias, and assembled elements inherit the classical guarantee that singular element stiffnesses yield a positive-definite global system. We prove conditional error bounds (energy-to-solution accuracy, element-count scaling, geometry generalization) and verify each experimentally. On heat conduction with elliptic holes, one trained element assembles into 2x2 to 8x8 grids and an L-shaped layout of unseen geometries at 0.6-1.0% relative L2 error, with 175x faster per-geometry setup for boundary-quantity workloads. A second trained element type mixes freely with the first in one monolithic assembly, and a three-dimensional instantiation reaches 0.23% on eight-element assemblies--the guarantees are type- and dimension-agnostic. A plane-strain elasticity element, whose physics nullspace is three-dimensional, lands on the analytically predicted regularization floors. Making the energy the learned object turns neural operators from single-use surrogates into reusable elements that inherit the assembly guarantees of the method they extend.
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