Constrained Multi-objective Bayesian Optimization through Optimistic Constraints Estimation

Fuente: arXiv
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Main Authors: Li, Diantong, Zhang, Fengxue, Liu, Chong, Chen, Yuxin
Format: Preprint
Published: 2024
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author Li, Diantong
Zhang, Fengxue
Liu, Chong
Chen, Yuxin
author_facet Li, Diantong
Zhang, Fengxue
Liu, Chong
Chen, Yuxin
contents Multi-objective Bayesian optimization has been widely adopted in scientific experiment design, including drug discovery and hyperparameter optimization. In practice, regulatory or safety concerns often impose additional thresholds on certain attributes of the experimental outcomes. Previous work has primarily focused on constrained single-objective optimization tasks or active search under constraints. The existing constrained multi-objective algorithms address the issue with heuristics and approximations, posing challenges to the analysis of the sample efficiency. We propose a novel constrained multi-objective Bayesian optimization algorithm COMBOO that balances active learning of the level-set defined on multiple unknowns with multi-objective optimization within the feasible region. We provide both theoretical analysis and empirical evidence, demonstrating the efficacy of our approach on various synthetic benchmarks and real-world applications.
format Preprint
id arxiv_https___arxiv_org_abs_2411_03641
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Constrained Multi-objective Bayesian Optimization through Optimistic Constraints Estimation
Li, Diantong
Zhang, Fengxue
Liu, Chong
Chen, Yuxin
Machine Learning
Methodology
Multi-objective Bayesian optimization has been widely adopted in scientific experiment design, including drug discovery and hyperparameter optimization. In practice, regulatory or safety concerns often impose additional thresholds on certain attributes of the experimental outcomes. Previous work has primarily focused on constrained single-objective optimization tasks or active search under constraints. The existing constrained multi-objective algorithms address the issue with heuristics and approximations, posing challenges to the analysis of the sample efficiency. We propose a novel constrained multi-objective Bayesian optimization algorithm COMBOO that balances active learning of the level-set defined on multiple unknowns with multi-objective optimization within the feasible region. We provide both theoretical analysis and empirical evidence, demonstrating the efficacy of our approach on various synthetic benchmarks and real-world applications.
title Constrained Multi-objective Bayesian Optimization through Optimistic Constraints Estimation
topic Machine Learning
Methodology
url https://arxiv.org/abs/2411.03641