Voronoi Candidates for Bayesian Optimization

التفاصيل البيبلوغرافية
العنوان: Voronoi Candidates for Bayesian Optimization
المؤلفون: Wycoff, Nathan, Smith, John W., Booth, Annie S., Gramacy, Robert B.
سنة النشر: 2024
المجموعة: Computer Science
Statistics
مصطلحات موضوعية: Statistics - Machine Learning, Computer Science - Machine Learning
الوصف: Bayesian optimization (BO) offers an elegant approach for efficiently optimizing black-box functions. However, acquisition criteria demand their own challenging inner-optimization, which can induce significant overhead. Many practical BO methods, particularly in high dimension, eschew a formal, continuous optimization of the acquisition function and instead search discretely over a finite set of space-filling candidates. Here, we propose to use candidates which lie on the boundary of the Voronoi tessellation of the current design points, so they are equidistant to two or more of them. We discuss strategies for efficient implementation by directly sampling the Voronoi boundary without explicitly generating the tessellation, thus accommodating large designs in high dimension. On a battery of test problems optimized via Gaussian processes with expected improvement, our proposed approach significantly improves the execution time of a multi-start continuous search without a loss in accuracy.
Comment: comments very welcome
نوع الوثيقة: Working Paper
URL الوصول: http://arxiv.org/abs/2402.04922
رقم الأكسشن: edsarx.2402.04922
قاعدة البيانات: arXiv