arXiv:2504.08730math.NAcs.LG2025-04被引 5

通过导数信息优化神经算子降维,提升无穷维映射的逼近精度。

Dimension reduction for derivative-informed operator learning: An analysis of approximation errors

  • 用导数信息构建降维基,比传统PCA更适应算子结构。
  • 导数信息基在椭圆型PDE测试中对算子及导数逼近误差更低。
  • 适合科学计算中需高精度导数的外层任务,如反问题与优化。

我们研究神经网络在无限维可分Hilbert空间之间对非线性算子进行导数信息学习的方法。这类算子常来自偏微分方程(PDE)的解,在科学与工程中的仿真外层任务(如PDE约束优化、贝叶斯逆问题、最优实验设计)中作为代理模型使用,以加速求解。然而,由于这些任务依赖于底层几何结构,算子导数的逼近精度也直接影响代理模型性能。为此,我们分析了在无穷维高斯输入测度下,神经算子在Sobolev范数中的逼近误差。重点关注基于降维基的神经算子(RBNO),其使用定义在主导输入/输出子空间上的线性编码器和解码器,该子空间由缩减的正交基张成。我们比较了两种基生成方法:主成分分析(PCA)与导数信息子空间(DIS),分别利用数据协方差或导数的主导特征向量构造基。我们推导出维度压缩与潜在神经网络逼近带来的误差界,包括基于经验估计的PCA/DIS采样误差。数值实验基于椭圆型PDE验证,结果表明:由映射信息指导的基(即DIS或输出PCA)能实现算子及其导数的准确重构与泛化误差,而输入PCA在秩和训练样本量不足时表现较差。

原文摘要 · Abstract (English)

We study the derivative-informed learning of nonlinear operators between infinite-dimensional separable Hilbert spaces by neural networks. Such operators can arise from the solution of partial differential equations (PDEs), and are used in many simulation-based outer-loop tasks in science and engineering, such as PDE-constrained optimization, Bayesian inverse problems, and optimal experimental design. In these settings, the neural network approximations can be used as surrogate models to accelerate the solution of the outer-loop tasks. However, since outer-loop tasks in infinite dimensions often require knowledge of the underlying geometry, the approximation accuracy of the operator's derivatives can also significantly impact the performance of the surrogate model. Motivated by this, we analyze the approximation errors of neural operators in Sobolev norms over infinite-dimensional Gaussian input measures. We focus on the reduced basis neural operator (RBNO), which uses linear encoders and decoders defined on dominant input/output subspaces spanned by reduced sets of orthonormal bases. To this end, we study two methods for generating the bases; principal component analysis (PCA) and derivative-informed subspaces (DIS), which use the dominant eigenvectors of the covariance of the data or the derivatives as the reduced bases, respectively. We then derive bounds for errors arising from both the dimension reduction and the latent neural network approximation, including the sampling errors associated with the empirical estimation of the PCA/DIS. Our analysis is validated on numerical experiments with elliptic PDEs, where our results show that bases informed by the map (i.e., DIS or output PCA) yield accurate reconstructions and generalization errors for both the operator and its derivatives, while input PCA may underperform unless ranks and training sample sizes are sufficiently large.

神经算子降维导数信息误差分析

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