Understanding High-Dimensional Bayesian Optimization

Papenmeier, Leonard; Poloczek, Matthias; Nardi, Luigi

Zusammenfassung

Recent work reported that simple Bayesian optimization (BO) methods perform well for high-dimensional real-world tasks, seemingly contradicting prior work and tribal knowledge. This paper investigates why. We identify underlying challenges that arise in high-dimensional BO and explain why recent methods succeed. Our empirical analysis shows that vanishing gradients caused by Gaussian process (GP) initialization schemes play a major role in the failures of high-dimensional Bayesian optimization (HDBO) and that methods that promote local search behaviors are better suited for the task. We find that maximum likelihood estimation (MLE) of GP length scales suffices for state-of-the-art performance. Based on this, we propose a simple variant of MLE called MSR that leverages these findings to achieve state-of-the-art performance on a comprehensive set of real-world applications. We present targeted experiments to illustrate and confirm our findings.

Schlüsselwörter

Bayesian optimization; global optimization; Gaussian process; high-dimensional

Zitieren als

Papenmeier, L., Poloczek, M., & Nardi, L. (2025). Understanding High-Dimensional Bayesian Optimization. In Singh, A., Fazel, M., Hsu, D., Lacoste-Julien, S., Berkenkamp, F., Maharaj, T., Wagstaff, K., & Zhu, J. (Eds.), Proceedings of Machine Learning Research (PMLR) (-, pp. 47902–47923). Proceedings of Machine Learning Research (PMLR): Vol. 267. Vancouver, Canada: MLResearchPress.

Details

Publikationstyp
Forschungsartikel in Sammelband (Konferenz)

Begutachtet
Ja

Publikationsstatus
Veröffentlicht

Jahr
2025

Konferenz
Proceedings of the Forty-Second International Conference on Machine Learning

Konferenzort
Vancouver Convention Center

Band
267

Buchtitel
Proceedings of Machine Learning Research (PMLR)

Herausgeber
Singh, Aarti; Fazel, Maryam; Hsu, Daniel; Lacoste-Julien, Simon; Berkenkamp, Felix; Maharaj, Tegan; Wagstaff, Kiri; Zhu, Jerry

Erste Seite
47902

Letzte Seite
47923

Auflage
-

Band
267

Reihe
Proceedings of Machine Learning Research (PMLR)

Verlag
MLResearchPress

Ort
Vancouver, Canada

Sprache
Englisch

ISSN
2640-3498

ISBN
-

DOI

Gesamter Text