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
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:2603. 29730v2 Announce Type: replace-cross Abstract: We present mlr3mbo, a modular toolbox for Bayesian optimization in R.
By Marc Becker, Lennart Schneider, Martin Binder, Lars Kotthoff, Bernd Bischl
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:2608. 00641v2 Announce Type: replace Abstract: Bayesian optimization (BO) relies on a surrogate model and an acquisition function, yet the most suitable choices vary across tasks and optimization stages.
By Changquan Zhao, Yuxiang Sun, Ruihao Zhu, Cheng Hua, Yulian He
arXiv:2606. 00862v1 Announce Type: cross Abstract: Surrogate-assisted evolutionary algorithms (SAEAs) have been widely used for expensive black-box optimization problems.
By Xiao Jin, Yongxiong Wang, Haobo Liu, Yudong Du, Yukun Du