Constrained Multi-objective Bayesian Optimization through Optimistic Constraints Estimation
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arXiv
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| Main Authors: | , , , |
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| Format: | Preprint |
| Published: |
2024
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| _version_ | 1866908327554842624 |
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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 |
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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 |