arXiv Machine Learning

On the Brittleness of Maximum Likelihood Estimation for Gaussian Process Hyperparameter Optimization

arXiv:2608. 13793v1 Announce Type: cross Abstract: Machine learning (ML) has become an indispensable part of modern engineering design workflows.

arXiv Machine Learning
Sep 4

No-Regret Bayesian Optimization with Finite-Library Input-Warped Kernels

The paper introduces Finite-Library Input-Warped Bayesian Optimization (FLIWBO), a method that selects input warps from a finite library to adapt the geometry used by Gaussian‑process Bayesian optimization. FLIWBO maintains high‑probability convergence guarantees while improving sample efficiency on problems where raw coordinates poorly match the objective’s geometry, such as log‑scaled hyperparameters or localized peaks. Experiments on synthetic benchmarks, Fashion‑MNIST hyperparameter tuning, and a 20‑dimensional multi‑agent system design demonstrate that FLIWBO‑UCB outperforms raw‑coordinate GP‑UCB and other methods with regret guarantees, especially under misspecified geometry.

By Edvin Ketabati Augustinsson, Robert A. Bridges
arXiv Machine Learning
Sep 15

Bayesian Optimisation Using Product-of-Experts Gaussian Process Models with Uncertainty Calibration

The paper introduces BO-pro-c, a Bayesian optimisation algorithm that employs a product-of-experts Gaussian process (GP-pro-c) as its surrogate model. GP-pro-c combines multiple local GP experts to improve uncertainty quantification, reduce computational cost, and preserve global correlations, addressing the cubic complexity of single global GP models. Experiments show that BO-pro-c achieves competitive optimisation performance with a 0.9% lower simple regret and a 39.4% reduction in computational overhead compared to a single‑global‑GP baseline.

By Yean Hoon Ong
arXiv Machine Learning
Sep 18

Online Adaptive Kernel Mixing for Gaussian Process Decision Making

The paper introduces HACK GPs, a method that treats kernel selection for Gaussian Processes as an online learning problem with expert advice. Each candidate kernel is viewed as a GP expert, and a distribution over these experts is updated online using AdaHedge based on a loss that reflects both function fit and task alignment. Two variants—Mixture of Gaussians and categorical sampling—are presented, with theoretical guarantees that the weight concentrates on the best kernel under a loss‑gap condition, and empirical results show robust performance across Bayesian optimization, level set estimation, and Bayesian active learning compared to standard kernels and simple ensembles.

By Kavin Aravindan, Mani Tej Sriram, Gautam Dasarathy, Tejas Bodas
arXiv Machine Learning
Aug 3

Frugal Bayesian Optimization: Scalable Surrogates for Data- and Resource-Limited Discovery

arXiv:2607. 29225v1 Announce Type: new Abstract: Bayesian Optimization (BO) is widely adopted for data-efficient optimization in scientific and engineering applications, yet its computational cost is rarely evaluated alongside optimization performance.

By Panagiotis Krokidas, Christoforos Rekatsinas, Vassilis Sioros, Grigorios M. Chatziathanasiou, Efi-Maria Papia, George Giannakopoulos