用张量分解的高斯过程高效求解非线性偏微分方程
Tensor Gaussian Processes: Efficient Solvers for Nonlinear PDEs
- 将多维解分解为一维高斯过程的张量组合,降低计算复杂度
- 在10万以上采样点上求解非线性PDE,精度优于现有方法
- 适合高维、大规模偏微分方程求解,尤其对可解释性要求高的场景
机器学习求解偏微分方程(PDEs)日益受到关注。然而,多数现有方法如神经网络求解器依赖随机训练,效率低且需大量迭代。基于高斯过程(GP)/核的方法虽具数学严谨性,但在处理高维或复杂问题所需的大量采样点时存在可扩展性瓶颈。为此,我们提出TGPS——一种基于张量高斯过程的求解器,通过沿各输入维度引入一维高斯过程并利用张量分解组合,近似全解空间。该设计将问题转化为学习一组一维高斯过程,显著降低计算复杂度,实现对大规模采样集的可扩展求解。针对非线性PDE,采用部分冻结策略与牛顿法线性化非线性项,并开发具有闭式更新的交替最小二乘(ALS)方法,大幅提升训练效率。我们建立了模型表达能力的理论保证,以及在标准正则性假设下的收敛性与误差分析。在多个基准PDE上的实验表明,本方法在精度与效率上均优于现有方法。代码已开源:https://github.com/BayesianAIGroup/TGPSolve-NonLinear-PDEs
原文摘要 · Abstract (English)
Machine learning solvers for partial differential equations (PDEs) have attracted growing interest. However, most existing approaches, such as neural network solvers, rely on stochastic training, which is inefficient and typically requires a great many training epochs. Gaussian process (GP)/kernel-based solvers, while mathematical principled, suffer from scalability issues when handling large numbers of collocation points often needed for challenging or higher-dimensional PDEs. To overcome these limitations, we propose TGPS, a tensor-GP-based solver that introduces factor functions along each input dimension using one-dimensional GPs and combines them via tensor decomposition to approximate the full solution. This design reduces the task to learning a collection of one-dimensional GPs, substantially lowering computational complexity, and enabling scalability to massive collocation sets. For efficient nonlinear PDE solving, we use a partial freezing strategy and Newton's method to linerize the nonlinear terms. We then develop an alternating least squares (ALS) approach that admits closed-form updates, thereby substantially enhancing the training efficiency. We establish theoretical guarantees on the expressivity of our model, together with convergence proof and error analysis under standard regularity assumptions. Experiments on several benchmark PDEs demonstrate that our method achieves superior accuracy and efficiency compared to existing approaches. The code is released at https://github.com/BayesianAIGroup/TGPSolve-NonLinear-PDEs
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