arXiv:2506.16316cs.LG2025-06中稿 · as a conference pa…

用贝塔核提升有界空间下的贝叶斯优化性能

Bayesian Optimization over Bounded Domains with the Beta Product Kernel

  • 引入贝塔乘积核,自然建模有界域函数
  • 在单位超立方体边界处最优解的场景中表现更优
  • 适合需精确优化边界区域的机器学习任务

基于高斯过程的贝叶斯优化常用于黑箱函数优化。马特恩和径向基函数(RBF)协方差函数虽常用,但不考虑函数定义域,限制了其在有界域的应用。为此,本文提出贝塔核,由贝塔分布密度函数的乘积诱导而成,为非平稳核,可自然建模有界域上的函数。我们通过谱性质的实证分析,提供统计证据支持该核具有指数级特征值衰减率。实验表明,该核在最优解位于单位超立方体面或顶点附近时表现出强鲁棒性,且在多种任务中——包括合成函数优化及视觉与语言模型压缩——持续优于广泛使用的马特恩、RBF等核。

原文摘要 · Abstract (English)

Bayesian optimization with Gaussian processes (GP) is commonly used to optimize black-box functions. The Matérn and the Radial Basis Function (RBF) covariance functions are used frequently, but they do not make any assumptions about the domain of the function, which may limit their applicability in bounded domains. To address the limitation, we introduce the Beta kernel, a non-stationary kernel induced by a product of Beta distribution density functions. Such a formulation allows our kernel to naturally model functions on bounded domains. We present statistical evidence supporting the hypothesis that the kernel exhibits an exponential eigendecay rate, based on empirical analyses of its spectral properties across different settings. Our experimental results demonstrate the robustness of the Beta kernel in modeling functions with optima located near the faces or vertices of the unit hypercube. The experiments show that our kernel consistently outperforms a wide range of kernels, including the well-known Matérn and RBF, in different problems, including synthetic function optimization and the compression of vision and language models.

贝叶斯优化核方法有界域高斯过程

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