arXiv:2507.14746cs.LGmath.OC2025-07综述被引 4

用高效采样技术让高斯过程在工程优化中更实用

Sampling from Gaussian Processes: A Tutorial and Applications in Global Sensitivity Analysis and Optimization

  • 引入随机傅里叶特征与路径条件化降低采样成本
  • 实现高斯过程后验采样,支持不确定性下的决策
  • 适用于敏感性分析与单/多目标优化,工程适用性强

高保真仿真和物理实验对工程分析与设计至关重要,但其高昂成本使得全局敏感性分析(GSA)和优化任务变得难以承受。这促使人们普遍使用高斯过程(GPs)作为代理回归模型,仅需少量高质量观测即可提供带不确定性的预测。GPs天然支持高效的采样策略,通过从模型感兴趣函数的子集提取信息,实现不确定性下的明智决策。然而,由于其无限维特性及大协方差矩阵运算的高成本,直接从GPs采样效率低下。尽管在机器学习与统计领域广泛应用,但采样方法在工程优化领域关注甚少。本文详细阐述并实现了两种显著的采样方法——随机傅里叶特征与路径条件化,可在较低计算成本下生成GPs后验样本。其他方法简要描述。尤为重要的是,我们详述了生成样本在GSA、单目标优化及多目标优化中的应用,并通过一系列数值实例验证了这些方法的成功应用。

原文摘要 · Abstract (English)

High-fidelity simulations and physical experiments are essential for engineering analysis and design, yet their high cost often makes two critical tasks--global sensitivity analysis (GSA) and optimization--prohibitively expensive. This limitation motivates the common use of Gaussian processes (GPs) as proxy regression models that provide uncertainty-aware predictions from a limited number of high-quality observations. GPs naturally enable efficient sampling strategies that support informed decision-making under uncertainty by extracting information from a subset of possible functions for the model of interest. However, direct sampling from GPs is inefficient due to their infinite-dimensional nature and the high cost associated with large covariance matrix operations. Despite their popularity in machine learning and statistics communities, sampling from GPs has received little attention in the community of engineering optimization. In this paper, we present the formulation and detailed implementation of two notable sampling methods--random Fourier features and pathwise conditioning--for generating posterior samples from GPs at reduced computational cost. Alternative approaches are briefly described. Importantly, we detail how the generated samples can be applied in GSA, single-objective optimization, and multi-objective optimization. We show successful applications of these sampling methods through a series of numerical examples.

高斯过程优化敏感性分析采样

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