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Multiobjective simulation optimization (MOSO) problems are optimization problems with multiple conflicting objectives, where evaluation of at least one of the objectives depends on a black-box numerical code or real-world experiment, which…

Optimization and Control · Mathematics 2025-01-13 Tyler H. Chang , Stefan M. Wild

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…

Biomolecules · Quantitative Biology 2022-12-20 Xin Xia , Yansen Su , Chunhou Zheng , Xiangxiang Zeng

In the last few decades, Machine Learning (ML) has achieved significant success across domains ranging from healthcare, sustainability, and the social sciences, to criminal justice and finance. But its deployment in increasingly…

Machine Learning · Computer Science 2025-09-03 Nathan Justin , Qingshi Sun , Andrés Gómez , Phebe Vayanos

In solving multi-modal, multi-objective optimization problems (MMOPs), the objective is not only to find a good representation of the Pareto-optimal front (PF) in the objective space but also to find all equivalent Pareto-optimal subsets…

Neural and Evolutionary Computing · Computer Science 2022-10-24 Tapabrata Ray , Mohammad Mohiuddin Mamun , Hemant Kumar Singh

Inverse optimization (IO) aims to determine optimization model parameters from observed decisions. However, IO is not part of a data scientist's toolkit in practice, especially as many general-purpose machine learning packages are widely…

Optimization and Control · Mathematics 2021-02-23 Elaheh H. Iraj , Daria Terekhov

The performance of any Machine Learning (ML) algorithm is impacted by the choice of its hyperparameters. As training and evaluating a ML algorithm is usually expensive, the hyperparameter optimization (HPO) method needs to be…

Machine Learning · Computer Science 2022-09-12 Alejandro Morales-Hernández , Inneke Van Nieuwenhuyse , Gonzalo Nápoles

Hyperparameter optimization (HPO) is important to leverage the full potential of machine learning (ML). In practice, users are often interested in multi-objective (MO) problems, i.e., optimizing potentially conflicting objectives, like…

Machine Learning · Computer Science 2024-01-12 Joseph Giovanelli , Alexander Tornede , Tanja Tornede , Marius Lindauer

Mobile edge computing (MEC) is essential for next-generation mobile network applications that prioritize various performance metrics, including delays and energy consumption. However, conventional single-objective scheduling solutions…

Networking and Internet Architecture · Computer Science 2023-07-28 Ning Yang , Junrui Wen , Meng Zhang , Ming Tang

This article addresses theory in evolutionary many-objective optimization and focuses on the role of crossover operators. The advantages of using crossover are hardly understood and rigorous runtime analyses with crossover are lagging far…

Neural and Evolutionary Computing · Computer Science 2025-07-17 Andre Opris

Multi-task learning (MTL), which aims to improve performance by learning multiple tasks simultaneously, inherently presents an optimization challenge due to multiple objectives. Hence, multi-objective optimization (MOO) approaches have been…

Artificial Intelligence · Computer Science 2021-10-08 Simyung Chang , KiYoon Yoo , Jiho Jang , Nojun Kwak

Bayesian optimization (BO) is a principled approach to molecular design tasks. In this paper we explain three pitfalls of BO which can cause poor empirical performance: an incorrect prior width, over-smoothing, and inadequate acquisition…

Machine Learning · Computer Science 2024-07-26 Austin Tripp , José Miguel Hernández-Lobato

Multi-objective optimization (MOO) has been widely studied in literature because of its versatility in human-centered decision making in real-life applications. Recently, demand for dynamic MOO is fast-emerging due to tough market dynamics…

Artificial Intelligence · Computer Science 2026-04-14 Jiahuan Jin , Wenhao Zhao , Rong Qu , Jianfeng Ren , Xinan Chen , Qingfu Zhang , Ruibin Bai

Multi-objective search (MOS) has emerged as a unifying framework for planning and decision-making problems where multiple, often conflicting, criteria must be balanced. While the problem has been studied for decades, recent years have seen…

Artificial Intelligence · Computer Science 2025-10-30 Oren Salzman , Carlos Hernández Ulloa , Ariel Felner , Sven Koenig

Multi-objective combinatorial optimization problems (MOCOPs), one type of complex optimization problems, widely exist in various real applications. Although meta-heuristics have been successfully applied to address MOCOPs, the calculation…

Machine Learning · Computer Science 2022-04-27 Le-yang Gao , Rui Wang , Chuang Liu , Zhao-hong Jia

We consider the problem of black-box multi-objective optimization (MOO) using expensive function evaluations (also referred to as experiments), where the goal is to approximate the true Pareto set of solutions by minimizing the total…

Machine Learning · Computer Science 2021-11-05 Syrine Belakaria , Aryan Deshwal , Janardhan Rao Doppa

Multi-modal multi-objective optimization is to locate (almost) equivalent Pareto optimal solutions as many as possible. Some evolutionary algorithms for multi-modal multi-objective optimization have been proposed in the literature. However,…

Neural and Evolutionary Computing · Computer Science 2020-10-02 Ryoji Tanabe , Hisao Ishibuchi

This paper addresses the problem of constrained multi-objective optimization over black-box objective functions with practitioner-specified preferences over the objectives when a large fraction of the input space is infeasible (i.e.,…

Machine Learning · Computer Science 2023-03-24 Alaleh Ahmadianshalchi , Syrine Belakaria , Janardhan Rao Doppa

Quadrupedal locomotion is a complex, open-ended problem vital to expanding autonomous vehicle reach. Traditional reinforcement learning approaches often fall short due to training instability and sample inefficiency. We propose a novel…

Robotics · Computer Science 2024-11-14 Martin Robert , Simon Brodeur , Francois Ferland

Multi-objective reinforcement learning (MORL) is increasingly relevant due to its resemblance to real-world scenarios requiring trade-offs between multiple objectives. Catering to diverse user preferences, traditional reinforcement learning…

Machine Learning · Computer Science 2024-04-08 Junlin Lu , Patrick Mannion , Karl Mason

For the purpose of addressing the multi-objective optimal reactive power dispatch (MORPD) problem, a two-step approach is proposed in this paper. First of all, to ensure the economy and security of the power system, the MORPD model aiming…

Optimization and Control · Mathematics 2020-03-06 Meng Zhang , Yang Li
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