用导数信息训练神经算子,提升偏微分方程优化的精度与效率。
Derivative-Informed Fourier Neural Operator: Universal Approximation and Applications to PDE-Constrained Optimization
- 在输出和导数上联合训练,让模型同时学习函数和敏感度。
- 仅需少量样本即可高精度求解非线性扩散-反应等复杂方程的反问题。
- 适合需要高精度灵敏度分析的科学计算与优化任务。
本文提出导数信息傅里叶神经算子(DIFNO)的逼近理论与高效训练方法,应用于偏微分方程约束优化。DIFNO通过最小化高保真算子(如参数化PDE解算子)在输出及其Fréchet导数样本上的预测误差进行训练,从而精确模拟算子响应及其敏感度。研究表明,精确的代理模型导数对代理驱动的PDE约束优化至关重要。理论证明:(i) FNO可在紧集上同时逼近连续可微算子及其导数;(ii) 在具有无界支撑输入测度的加权Sobolev空间中,FNO可逼近连续可微算子。这些结果验证了FNO在导数信息算子学习及PDE约束优化中的能力。此外,我们设计了基于降维与多分辨率技术的高效训练方案,显著降低导数学习的内存与计算开销。在非线性扩散-反应、Helmholtz和Navier-Stokes方程的数值实验表明,DIFNO在算子学习与无限维逆问题求解中具备更优样本复杂度,在低训练样本量下仍能实现高精度。
原文摘要 · Abstract (English)
We present approximation theories and efficient training methods for derivative-informed Fourier neural operators (DIFNOs) with applications to PDE-constrained optimization. A DIFNO is an FNO trained by minimizing its prediction error jointly on output and Fréchet derivative samples of a high-fidelity operator (e.g., a parametric PDE solution operator). As a result, a DIFNO can closely emulate not only the high-fidelity operator's response but also its sensitivities. To motivate the use of DIFNOs instead of conventional FNOs as surrogate models, we show that accurate surrogate-driven PDE-constrained optimization requires accurate surrogate Fréchet derivatives. Then, we establish (i) simultaneous universal approximation of continuously differentiable operators and their Fréchet derivatives by FNOs on compact sets, and (ii) universal approximation of continuously differentiable operators by FNOs in weighted Sobolev spaces with input measures that have unbounded supports. Our theoretical results certify the capability of FNOs for accurate derivative-informed operator learning and for the solution of PDE-constrained optimization problems. Furthermore, we develop efficient training schemes that leverage dimensionality reduction and multi-resolution techniques to significantly reduce memory and computational costs in Fréchet derivative learning. Numerical examples on nonlinear diffusion--reaction, Helmholtz, and Navier--Stokes equations demonstrate that DIFNOs are superior in sample complexity for operator learning and solving infinite-dimensional PDE-constrained inverse problems, achieving high accuracy at low training sample sizes.
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