Probability Distribution of Hypervolume Improvement in Bi-objective Bayesian Optimization

Hao Wang, Kaifeng Yang, Michael Affenzeller
Proceedings of the 41st International Conference on Machine Learning, PMLR 235:52002-52018, 2024.

Abstract

Hypervolume improvement (HVI) is commonly employed in multi-objective Bayesian optimization algorithms to define acquisition functions due to its Pareto-compliant property. Rather than focusing on specific statistical moments of HVI, this work aims to provide the exact expression of HVI’s probability distribution for bi-objective problems. Considering a bi-variate Gaussian random variable resulting from Gaussian process (GP) modeling, we derive the probability distribution of its hypervolume improvement via a cell partition-based method. Our exact expression is superior in numerical accuracy and computation efficiency compared to the Monte Carlo approximation of HVI’s distribution. Utilizing this distribution, we propose a novel acquisition function - $\varepsilon$-probability of hypervolume improvement ($\varepsilon$-PoHVI). Experimentally, we show that on many widely-applied bi-objective test problems, $\varepsilon$-PoHVI significantly outperforms other related acquisition functions, e.g., $\varepsilon$-PoI, and expected hypervolume improvement, when the GP model exhibits a large the prediction uncertainty.

Cite this Paper

BibTeX
@InProceedings{pmlr-v235-wang24ce, title = {Probability Distribution of Hypervolume Improvement in Bi-objective {B}ayesian Optimization}, author = {Wang, Hao and Yang, Kaifeng and Affenzeller, Michael}, booktitle = {Proceedings of the 41st International Conference on Machine Learning}, pages = {52002--52018}, year = {2024}, editor = {Salakhutdinov, Ruslan and Kolter, Zico and Heller, Katherine and Weller, Adrian and Oliver, Nuria and Scarlett, Jonathan and Berkenkamp, Felix}, volume = {235}, series = {Proceedings of Machine Learning Research}, month = {21--27 Jul}, publisher = {PMLR}, pdf = {https://raw.githubusercontent.com/mlresearch/v235/main/assets/wang24ce/wang24ce.pdf}, url = {https://proceedings.mlr.press/v235/wang24ce.html}, abstract = {Hypervolume improvement (HVI) is commonly employed in multi-objective Bayesian optimization algorithms to define acquisition functions due to its Pareto-compliant property. Rather than focusing on specific statistical moments of HVI, this work aims to provide the exact expression of HVI’s probability distribution for bi-objective problems. Considering a bi-variate Gaussian random variable resulting from Gaussian process (GP) modeling, we derive the probability distribution of its hypervolume improvement via a cell partition-based method. Our exact expression is superior in numerical accuracy and computation efficiency compared to the Monte Carlo approximation of HVI’s distribution. Utilizing this distribution, we propose a novel acquisition function - $\varepsilon$-probability of hypervolume improvement ($\varepsilon$-PoHVI). Experimentally, we show that on many widely-applied bi-objective test problems, $\varepsilon$-PoHVI significantly outperforms other related acquisition functions, e.g., $\varepsilon$-PoI, and expected hypervolume improvement, when the GP model exhibits a large the prediction uncertainty.} }
Endnote
%0 Conference Paper %T Probability Distribution of Hypervolume Improvement in Bi-objective Bayesian Optimization %A Hao Wang %A Kaifeng Yang %A Michael Affenzeller %B Proceedings of the 41st International Conference on Machine Learning %C Proceedings of Machine Learning Research %D 2024 %E Ruslan Salakhutdinov %E Zico Kolter %E Katherine Heller %E Adrian Weller %E Nuria Oliver %E Jonathan Scarlett %E Felix Berkenkamp %F pmlr-v235-wang24ce %I PMLR %P 52002--52018 %U https://proceedings.mlr.press/v235/wang24ce.html %V 235 %X Hypervolume improvement (HVI) is commonly employed in multi-objective Bayesian optimization algorithms to define acquisition functions due to its Pareto-compliant property. Rather than focusing on specific statistical moments of HVI, this work aims to provide the exact expression of HVI’s probability distribution for bi-objective problems. Considering a bi-variate Gaussian random variable resulting from Gaussian process (GP) modeling, we derive the probability distribution of its hypervolume improvement via a cell partition-based method. Our exact expression is superior in numerical accuracy and computation efficiency compared to the Monte Carlo approximation of HVI’s distribution. Utilizing this distribution, we propose a novel acquisition function - $\varepsilon$-probability of hypervolume improvement ($\varepsilon$-PoHVI). Experimentally, we show that on many widely-applied bi-objective test problems, $\varepsilon$-PoHVI significantly outperforms other related acquisition functions, e.g., $\varepsilon$-PoI, and expected hypervolume improvement, when the GP model exhibits a large the prediction uncertainty.
APA
Wang, H., Yang, K. & Affenzeller, M.. (2024). Probability Distribution of Hypervolume Improvement in Bi-objective Bayesian Optimization. Proceedings of the 41st International Conference on Machine Learning, in Proceedings of Machine Learning Research 235:52002-52018 Available from https://proceedings.mlr.press/v235/wang24ce.html.

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