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Many engineering and scientific workflows rely on expensive black-box evaluations, requiring sequential decisions that must both improve task performance and reduce uncertainty. Bayesian optimization (BO) and Bayesian experimental design…

机器学习 · 计算机科学 2026-05-14 Yingke Li , Anjali Parashar , Enlu Zhou , Chuchu Fan

Bayesian optimization (BO) is a popular method for optimizing expensive-to-evaluate black-box functions. BO budgets are typically given in iterations, which implicitly assumes each evaluation has the same cost. In fact, in many BO…

机器学习 · 计算机科学 2021-06-14 Eric Hans Lee , David Eriksson , Valerio Perrone , Matthias Seeger

Bayesian optimization (BO) offers an efficient pipeline for optimizing black-box functions with the help of a Gaussian process prior and an acquisition function (AF). Recently, in the context of single-objective BO, learning-based AFs…

机器学习 · 计算机科学 2025-05-30 Yu-Heng Hung , Kai-Jie Lin , Yu-Heng Lin , Chien-Yi Wang , Cheng Sun , Ping-Chun Hsieh

Bayesian optimization (BO) is a popular approach for optimizing expensive-to-evaluate black-box objective functions. An important challenge in BO is its application to high-dimensional search spaces due in large part to the curse of…

机器学习 · 计算机科学 2025-05-27 Wei-Ting Tang , Joel A. Paulson

Energy systems optimization problems are complex due to strongly non-linear system behavior and multiple competing objectives, e.g. economic gain vs. environmental impact. Moreover, a large number of input variables and different variable…

Day-ahead unit commitment (UC) is a fundamental task for power system operators, where generator statuses and power dispatch are determined based on the forecasted nodal net demands. The uncertainty inherent in renewables and load…

系统与控制 · 电气工程与系统科学 2024-08-12 Xuan He , Honglin Wen , Yufan Zhang , Yize Chen , Danny H. K. Tsang

In contrast to single-objective optimization (SOO), multi-objective optimization (MOO) requires an optimizer to find the Pareto frontier, a subset of feasible solutions that are not dominated by other feasible solutions. In this paper, we…

机器学习 · 计算机科学 2024-08-13 Yiyang Zhao , Linnan Wang , Kevin Yang , Tianjun Zhang , Tian Guo , Yuandong Tian

In this paper we develop two approaches to find minmax robust efficient solutions for multi-objective combinatorial optimization problems with cardinality-constrained uncertainty. First, we extend an algorithm of Bertsimas and Sim (2003)…

最优化与控制 · 数学 2017-01-24 Andrea Raith , Marie Schmidt , Anita Schöbel , Lisa Thom

Bayesian optimization is a popular framework for the optimization of black box functions. Multifidelity methods allows to accelerate Bayesian optimization by exploiting low-fidelity representations of expensive objective functions. Popular…

机器学习 · 计算机科学 2024-07-08 Francesco Di Fiore , Laura Mainini

Many real world scientific and industrial applications require optimizing multiple competing black-box objectives. When the objectives are expensive-to-evaluate, multi-objective Bayesian optimization (BO) is a popular approach because of…

机器学习 · 计算机科学 2022-06-17 Samuel Daulton , David Eriksson , Maximilian Balandat , Eytan Bakshy

Machine learning methods have been used to accelerate the molecule optimization process. However, efficient search for optimized molecules satisfying several properties with scarce labeled data remains a challenge for machine learning…

生物大分子 · 定量生物学 2022-12-20 Xin Xia , Yansen Su , Chunhou Zheng , Xiangxiang Zeng

Black box optimization requires specifying a search space to explore for solutions, e.g. a d-dimensional compact space, and this choice is critical for getting the best results at a reasonable budget. Unfortunately, determining a high…

机器学习 · 计算机科学 2021-12-20 Setareh Ariafar , Justin Gilmer , Zachary Nado , Jasper Snoek , Rodolphe Jenatton , George E. Dahl

Multi-Objective Optimization (MOO) techniques have become increasingly popular in recent years due to their potential for solving real-world problems in various fields, such as logistics, finance, environmental management, and engineering.…

神经与进化计算 · 计算机科学 2024-07-15 Noor A. Rashed , Yossra H. Ali , Tarik A. Rashid , A. Salih

We present a novel approach to help decision-makers efficiently identify preferred solutions from the Pareto set of a multi-objective optimization problem. Our method uses a Bayesian model to estimate the decision-maker's utility function…

机器学习 · 统计学 2025-11-13 Felix Huber , Sebastian Rojas Gonzalez , Raul Astudillo

Molecular optimization, which aims to discover improved molecules from a vast chemical search space, is a critical step in chemical development. Various artificial intelligence technologies have demonstrated high effectiveness and…

化学物理 · 物理学 2024-11-26 Xin Xia , Yajie Zhang , Xiangxiang Zeng , Xingyi Zhang , Chunhou Zheng , Yansen Su

In today's uncertain and competitive market, where enterprises are subjected to increasingly shortened product life-cycles and frequent volume changes, reconfigurable manufacturing systems (RMS) applications play a significant role in the…

系统与控制 · 电气工程与系统科学 2023-01-02 Carlos Alberto Barrera-Diaz , Amir Nourmohammdi , Henrik Smedberg , Tehseen Aslam , Amos H. C. Ng

Optimisation problems often have multiple conflicting objectives that can be computationally and/or financially expensive. Mono-surrogate Bayesian optimisation (BO) is a popular model-based approach for optimising such black-box functions.…

机器学习 · 计算机科学 2022-08-11 George De Ath , Tinkle Chugh , Alma A. M. Rahat

Traditional robust multi-objective optimization methods typically prioritize convergence while treating robustness as a secondary consideration. This approach can yield solutions that are not genuinely robust optimal under noise-affected…

计算工程、金融与科学 · 计算机科学 2025-12-01 Lihong Xu , Wenxiang Jiang

Multi-fidelity Bayesian optimization (MFBO) accelerates the search for the global optimum of black-box functions by integrating inexpensive, low-fidelity approximations. The central task of an MFBO policy is to balance the cost-efficiency…

机器学习 · 计算机科学 2026-02-03 Md Abir Hossen , Mohammad Ali Javidian , Vignesh Narayanan , Jason M. O'Kane , Pooyan Jamshidi

We consider Bayesian optimization of expensive-to-evaluate experiments that generate vector-valued outcomes over which a decision-maker (DM) has preferences. These preferences are encoded by a utility function that is not known in closed…

机器学习 · 计算机科学 2022-03-23 Zhiyuan Jerry Lin , Raul Astudillo , Peter I. Frazier , Eytan Bakshy