用高斯过程增强神经算子,实现无分辨率依赖的力学问题求解与不确定性估计。
Towards Gaussian Process for operator learning: an uncertainty aware resolution independent operator learning algorithm for computational mechanics
- 将神经算子嵌入高斯过程核,构建隐空间中的自适应核函数。
- 在非线性偏微分方程上实现比传统GP快3倍、精度更高,且支持高维输入。
- 适合需要可靠不确定度估计的工程仿真场景,如结构力学与流体模拟。
计算力学中对高精度、高效且可扩展解决方案的需求日益增长,亟需能处理大规模数据并提供可靠不确定性量化的新一代算子学习算法。本文提出一种基于高斯过程(GP)的新型神经算子,用于求解参数化微分方程。该方法结合确定性神经算子的表达能力与传统高斯过程的不确定性感知特性,创新性地提出“神经算子嵌入核”,将GP核定义在由神经算子学习得到的隐空间中。同时,采用随机对偶下降(SDD)算法联合优化神经算子参数与GP超参数。所提方法克服了传统GP的(a)分辨率依赖性和(b)立方复杂度问题,实现输入分辨率无关性及在高维非线性参数系统中的可扩展性,适用于计算力学中的复杂场景。我们在一系列非线性参数化偏微分方程上验证了该方法,结果表明其在计算效率和精度上均优于标准GP模型与小波神经算子。实验充分证明该框架在求解复杂偏微分方程的同时保持稳健的不确定性估计能力,可作为计算力学领域可扩展、可靠的算子学习算法。
原文摘要 · Abstract (English)
The growing demand for accurate, efficient, and scalable solutions in computational mechanics highlights the need for advanced operator learning algorithms that can efficiently handle large datasets while providing reliable uncertainty quantification. This paper introduces a novel Gaussian Process (GP) based neural operator for solving parametric differential equations. The approach proposed leverages the expressive capability of deterministic neural operators and the uncertainty awareness of conventional GP. In particular, we propose a ``neural operator-embedded kernel'' wherein the GP kernel is formulated in the latent space learned using a neural operator. Further, we exploit a stochastic dual descent (SDD) algorithm for simultaneously training the neural operator parameters and the GP hyperparameters. Our approach addresses the (a) resolution dependence and (b) cubic complexity of traditional GP models, allowing for input-resolution independence and scalability in high-dimensional and non-linear parametric systems, such as those encountered in computational mechanics. We apply our method to a range of non-linear parametric partial differential equations (PDEs) and demonstrate its superiority in both computational efficiency and accuracy compared to standard GP models and wavelet neural operators. Our experimental results highlight the efficacy of this framework in solving complex PDEs while maintaining robustness in uncertainty estimation, positioning it as a scalable and reliable operator-learning algorithm for computational mechanics.
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