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: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 Gradient-based Sample Selection Bayesian Optimization (GSSBO), a method that builds the Gaussian process surrogate on a strategically chosen subset of samples rather than the full dataset. By using gradient information to eliminate redundant points while keeping diversity and representativeness, GSSBO achieves sublinear regret bounds and reduces the cubic computational cost of standard BO. Experiments on synthetic and real-world tasks show that this approach maintains comparable optimization performance while significantly cutting GP fitting time and resource usage.
By Qiyu Wei, Haowei Wang, Zirui Cao, Songhao Wang, Richard Allmendinger, Mauricio A \'Alvarez
arXiv:2607. 23404v1 Announce Type: new Abstract: Self-driving laboratories increasingly rely on multi-fidelity Bayesian optimization (MFBO) to balance cheap, approximate evaluations against scarce, expensive ones, with a predictive surrogate at its core.
By Jaewook Lee, Ethan Errington, Christian D. Lorenz, Miao Guo
The paper presents a method that uses Constrained Bayesian Optimization (CBO) to minimize the energy consumption of machine learning models while ensuring their generalization performance stays above a specified threshold. By treating energy usage as the primary objective and performance as a constraint, the authors demonstrate that CBO can reduce training energy costs on both regression and classification tasks without sacrificing predictive accuracy.
By Pallavi Mitra, Felix Biessmann
arXiv:2511. 02570v3 Announce Type: replace Abstract: Bayesian optimization (BO) is a widely used approach to hyperparameter optimization (HPO).
By Lukas Fehring, Marcel Wever, Maximilian Splieth\"over, Leona Hennig, Henning Wachsmuth, Marius Lindauer