Practical Bayesian Optimization of Machine Learning Algorithms, Jasper Snoek, Hugo Larochelle, and Ryan P. Adams, 2012Advances in Neural Information Processing Systems (NIPS 25), Vol. 4 (Curran Associates, Inc.)DOI: 10.48550/arXiv.1206.2944 - A foundational paper on applying Bayesian Optimization specifically to the tuning of machine learning hyperparameters, using Gaussian Processes.
Gaussian Processes for Machine Learning, Carl Edward Rasmussen and Christopher K. I. Williams, 2006 (The MIT Press) - The authoritative textbook for a comprehensive understanding of Gaussian Processes, which are fundamental to many Bayesian Optimization surrogate models.