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#1 Exploring Exploration in Bayesian Optimization [PDF] [Copy] [Kimi] [REL]

Authors: Leonard Papenmeier, Nuojin Cheng, Stephen Becker, Luigi Nardi

A well-balanced exploration-exploitation trade-off is crucial for successful acquisition functions in Bayesian optimization. However, there is a lack of quantitative measures for exploration, making it difficult to analyze and compare different acquisition functions. This work introduces two novel approaches – observation traveling salesman distance and observation entropy – to quantify the exploration characteristics of acquisition functions based on their selected observations. Using these measures, we examine the explorative nature of several well-known acquisition functions across a diverse set of black-box problems, uncover links between exploration and empirical performance, and reveal new relationships among existing acquisition functions. Beyond enabling a deeper understanding of acquisition functions, these measures also provide a foundation for guiding their design in a more principled and systematic manner.

Subject: UAI.2025 - Poster