arXiv Machine Learning

DisCoMBO: Steering Expert-in-the-Loop Black Box Optimization via Distributional Conformance

arXiv Machine Learning
Jun 9

Improving Bayesian Optimization via Training-Aware Conditional Diffusion Models

arXiv:2606. 08438v1 Announce Type: cross Abstract: Bayesian optimization (BO) is a widely used approach for black-box optimization that uses a Gaussian process (GP) as a surrogate and guides sequential evaluations via an acquisition function, with the ultimate goal of locating the global optimum $\mathbf{x}^{\star}$.

By Yilin Zheng, Haowei Wang, Szu Hui Ng, Enlu Zhou
arXiv Machine Learning
Aug 27

GRAPE: Gradient Refinement and Progress-Aware Exploitation for Query-Efficient High-Dimensional Bayesian Optimization

GRAPE is a two‑stage Bayesian optimization framework that first refines the local gradient posterior using a closed‑form acquisition function and then selects update directions by maximizing expected decrease conditioned on descent. The authors prove that the refinement stage monotonically reduces local uncertainty and that the progress‑aware direction converges to true steepest descent as the posterior sharpens. Empirical results show GRAPE achieves a 5.4× speedup on black‑box adversarial attacks and reduces final average regret by 3.8 log‑units on large language model prompt‑optimization tasks.

By Richard Cornelius Suwandi, Feng Yin
arXiv Machine Learning
Aug 18

Large Discovery Models: Empirically-grounded Model-Based Open-Ended Search

arXiv:2608. 15669v1 Announce Type: new Abstract: Scientific discovery often involves optimising expensive-to-evaluate objectives over vast, structured, and open-ended hypothesis spaces, such as molecules, protein sequences, and computer programs.

By Zhongwei Yu, Yan Song, Xue Yan, Anjie Liu, Xingyu Lu, Yihang Chen, Huichi Zhou, Siyuan Guo, Luoyang Sun, Sihan Chen, Xiangning Yu, Jun Wang
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