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Latent-space Bayesian optimization (LSBO) extends Bayesian optimization to structured domains, such as molecular design, by searching in the continuous latent space of a generative model. However, most LSBO methods assume a fixed objective,…

机器学习 · 统计学 2026-03-03 Tuan A. Vu , Julien Martinelli , Harri Lähdesmäki

In many real-world optimization problems, we have prior information about what objective function values are achievable. In this paper, we study the scenario that we have either exact knowledge of the minimum value or a, possibly inexact,…

机器学习 · 计算机科学 2025-09-26 Hanyang Wang , Juergen Branke , Matthias Poloczek

Bayesian optimization (BO) is a sample-efficient global optimization algorithm for black-box functions which are expensive to evaluate. Existing literature on model based optimization in conditional parameter spaces are usually built on…

机器学习 · 统计学 2020-10-08 Xingchen Ma , Matthew B. Blaschko

In this paper, a new sequential surrogate-based optimization (SSBO) algorithm is developed, which aims to improve the global search ability and local search efficiency for the global optimization of expensive black-box models. The proposed…

机器学习 · 统计学 2018-11-30 Chunlin Gong , Xu Li , Hua Su , Jinlei Guo , Liangxian Gu

We investigate the unconstrained global optimization of functions with low effective dimensionality, that are constant along certain (unknown) linear subspaces. Extending the technique of random subspace embeddings in [Wang et al., Bayesian…

最优化与控制 · 数学 2020-03-24 Coralia Cartis , Adilet Otemissov

When applying Bayesian optimization (BO) to scientific workflow, a major yet often overlooked source of uncertainty is the task itself -- namely, what to optimize and how to evaluate it -- which can evolve as evidence accumulates. We…

人工智能 · 计算机科学 2026-05-11 Masaki Adachi , Yuta Suzuki , Juliusz Ziomek

In this paper we study consensus-based optimization (CBO), a versatile, flexible and customizable optimization method suitable for performing nonconvex and nonsmooth global optimizations in high dimensions. CBO is a multi-particle…

数值分析 · 数学 2026-05-28 Konstantin Riedl

We design Local LMO - a new projection-free gradient-type method for constrained optimization. The key algorithmic idea is to replace the global linear minimization oracle over the constraint set used by Frank-Wolfe (FW) with a local linear…

最优化与控制 · 数学 2026-05-12 Peter Richtárik , Kaja Gruntkowska , Hanmin Li

Traditional methods for black box optimization require a considerable number of evaluations which can be time consuming, unpractical, and often unfeasible for many engineering applications that rely on accurate representations and expensive…

机器学习 · 计算机科学 2020-07-10 Francesco Grassi , Giorgio Manganini , Michele Garraffa , Laura Mainini

Design optimization under uncertainty is notoriously difficult when the objective function is expensive to evaluate. State-of-the-art techniques, e.g, stochastic optimization or sampling average approximation, fail to learn exploitable…

最优化与控制 · 数学 2019-06-20 Piyush Pandita , Ilias Bilionis , Jitesh Panchal

Bayesian optimization (BO) has been widely used to optimize expensive and gradient-free objective functions across various domains. However, existing BO methods have not addressed the objective where both inputs and outputs are functions,…

机器学习 · 统计学 2025-12-11 Jingru Huang , Haijie Xu , Manrui Jiang , Chen Zhang

Bayesian optimization (BO) is a popular, sample-efficient technique for expensive, black-box optimization. One such problem arising in manufacturing is that of maximizing the reliability, or equivalently minimizing the probability of a…

机器学习 · 计算机科学 2026-02-03 Jack M. Buckingham , Ivo Couckuyt , Juergen Branke

Bayesian Optimization (BO) is a powerful method for optimizing black-box functions by combining prior knowledge with ongoing function evaluations. BO constructs a probabilistic surrogate model of the objective function given the covariates,…

机器学习 · 统计学 2025-08-26 Roi Naveiro , Becky Tang

In this paper, global optimization (GO) Lipschitz problems are considered where the multi-dimensional multiextremal objective function is determined over a hyperinterval. An efficient one-dimensional GO method using local tuning on the…

最优化与控制 · 数学 2011-03-21 Dmitri E. Kvasov , Clara Pizzuti , Yaroslav D. Sergeyev

Automatic Machine Learning (Auto-ML) systems tackle the problem of automating the design of prediction models or pipelines for data science. In this paper, we present Lifelong Bayesian Optimization (LBO), an online, multitask Bayesian…

机器学习 · 统计学 2019-06-24 Yao Zhang , James Jordon , Ahmed M. Alaa , Mihaela van der Schaar

In this paper, we deal with batch Bayesian Optimization (Bayes-Opt) problems over a box and we propose a novel bi-objective optimization (BOO) acquisition strategy to sample points where to evaluate the objective function. The BOO problem…

最优化与控制 · 数学 2025-05-27 Francesco Carciaghi , Simone Magistri , Pierluigi Mansueto , Fabio Schoen

Bayesian Optimization (BO) methods are useful for optimizing functions that are expen- sive to evaluate, lack an analytical expression and whose evaluations can be contaminated by noise. These methods rely on a probabilistic model of the…

机器学习 · 统计学 2020-02-04 Eduardo C. Garrido-Merchán , Daniel Hernández-Lobato

Existing Bayesian Optimization (BO) methods typically balance exploration and exploitation to optimize costly objective functions. However, these methods often suffer from a significant one-step bias, which may lead to convergence towards…

机器学习 · 计算机科学 2025-10-23 Ruiyao Miao , Junren Xiao , Shiya Tsang , Hui Xiong , Yingnian Wu

Multi-objective Bayesian optimization (MOBO) provides a principled framework for optimizing expensive black-box functions with multiple objectives. However, existing MOBO methods often struggle with coverage, scalability with respect to the…

机器学习 · 计算机科学 2026-04-20 Yaohong Yang , Sammie Katt , Samuel Kaski

Bayesian optimization (BO) has become an indispensable tool for autonomous decision-making across diverse applications from autonomous vehicle control to accelerated drug and materials discovery. With the growing interest in self-driving…

机器学习 · 计算机科学 2025-08-22 Gary Tom , Stanley Lo , Samantha Corapi , Alan Aspuru-Guzik , Benjamin Sanchez-Lengeling