提出可验证的神经微分方程求解器,实现外推时误差有界且稳定
BEACONS: Bounded-Error, Algebraically-Composable Neural Solvers for Partial Differential Equations
- 基于特征法预判解的解析性质,构建浅层网络误差上界
- 通过函数组合构造深层网络,抑制大误差传播
- 适合需高可靠性外推的物理模拟场景,如流体力学
传统神经网络在训练数据凸包外泛化能力差,制约了计算物理中对未知工况下偏微分方程(PDE)求解的需求。本文提出BEACONS框架,通过方法论特征提前预测解的解析性质,为浅层神经网络近似构建严格意义上的最大L^∞误差上界。通过将PDE解分解为简单函数的复合形式,采用组合深度学习思想构建深层网络,有效抑制近似中的大误差。该框架包含自动代码生成器和专用自动化定理证明系统,可生成机器可验证的正确性证明。应用于一维与二维的线性和非线性PDE,包括线性输运方程、无粘伯格方程及完整可压缩欧拉方程,均实现远超训练数据范围的可靠外推,且误差始终受控。相比经典PINN方法,具有更强的稳定性与可验证性。
原文摘要 · Abstract (English)
The traditional limitations of neural networks in reliably generalizing beyond the convex hulls of their training data present a significant problem for computational physics, in which one often wishes to solve PDEs in regimes far beyond anything which can be experimentally or analytically validated. In this paper, we show how it is possible to circumvent these limitations by constructing formally-verified neural network solvers for PDEs, with rigorous convergence, stability, and conservation properties, whose correctness can therefore be guaranteed even in extrapolatory regimes. By using the method of characteristics to predict the analytical properties of PDE solutions a priori (even in regions arbitrarily far from the training domain), we show how it is possible to construct rigorous extrapolatory bounds on the worst-case L^inf errors of shallow neural network approximations. Then, by decomposing PDE solutions into compositions of simpler functions, we show how it is possible to compose these shallow neural networks together to form deep architectures, based on ideas from compositional deep learning, in which the large L^inf errors in the approximations have been suppressed. The resulting framework, called BEACONS (Bounded-Error, Algebraically-COmposable Neural Solvers), comprises both an automatic code-generator for the neural solvers themselves, as well as a bespoke automated theorem-proving system for producing machine-checkable certificates of correctness. We apply the framework to a variety of linear and non-linear PDEs, including the linear advection and inviscid Burgers' equations, as well as the full compressible Euler equations, in both 1D and 2D, and illustrate how BEACONS architectures are able to extrapolate solutions far beyond the training data in a reliable and bounded way. Various advantages of the approach over the classical PINN approach are discussed.
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