arXiv Machine Learning

tidyHEBO: Robust General-Purpose Bayesian Optimization with Model-Consistent Warping and Pareto Search

tidyHEBO is a BoTorch-native Bayesian optimization tool that jointly applies Yeo-Johnson output warping to a Gaussian‑process surrogate, evaluates acquisition functions on the original objective scale, and conducts constrained cumulative Pareto search across multiple acquisition criteria. Using only default settings, it outperformed other methods on the Olympus benchmark and performed strongly on synthetic, Needle‑in‑a‑Haystack, and Bayesmark tasks, while adaptive batching offered a trade‑off between parallelization and optimization quality. These results position tidyHEBO as a robust, reproducible optimizer suitable for diverse practical problems, including scientific applications and hyperparameter tuning.

arXiv Machine Learning
Jul 14

Modernizing HEBO: a robust Bayesian optimization baseline for practical heteroskedastic and non-stationary problems

arXiv:2607. 10669v1 Announce Type: new Abstract: Bayesian optimization is increasingly used to guide data-efficient experimentation in chemistry, materials science, and related laboratory settings, but its practical performance depends strongly on how well surrogate-model assumptions match the geometry and noise structure of the underlying objective.

By L. A. Zhukov, E. V. Shaburova, D. V. Antonets
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
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
arXiv AI
Jul 13

LLM-Driven Evolutionary Generation of Multi-Objective Bayesian Optimization Algorithms

arXiv:2607. 08791v1 Announce Type: cross Abstract: Designing effective multi-objective Bayesian optimization (MOBO) algorithms requires balancing many interdependent design choices whose optimal configuration is problem-dependent and typically demands deep expertise.

By Georgios Laskaris, Reuben Brasher, Niki van Stein, Elena Raponi, Thomas B\"ack, Florian Neukart
arXiv Machine Learning
Sep 15

Exploring new directions in enhancing the ACTS parameter optimization suite

The article investigates how Bayesian optimization can improve the ACTS parameter optimization suite for charged‑particle reconstruction. By comparing Expected Improvement and Upper Confidence Bound with TPE and random search on an eight‑parameter problem, extending the best method to fifteen parameters, and applying Expected Hypervolume Improvement for multi‑objective tuning, the study shows that Bayesian acquisition methods find strong configurations earlier and maintain advantages in held‑out validation. The results demonstrate that Bayesian optimization enhances ACTS auto‑tuning through more efficient evaluations, broader search spaces, and the ability to select from non‑dominated trade‑off solutions.

By Chance LaVoie, Qi Bin Lei, Rocky Bala Garg, Lauren Tompkins