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The discovery of therapeutic molecules is fundamentally a multi-objective optimization problem. One formulation of the problem is to identify molecules that simultaneously exhibit strong binding affinity for a target protein, minimal…

Quantitative Methods · Quantitative Biology 2023-10-17 Jenna C. Fromer , David E. Graff , Connor W. Coley

Many machine learning tasks aim to find models that work well not for a single, but for a group of criteria, often opposing ones. One such example is imbalanced data classification, where, on the one hand, we want to achieve the best…

Machine Learning · Computer Science 2025-11-18 Szymon Wojciechowski , Michał Woźniak

Bayesian optimization (BO) is a leading method for optimizing expensive black-box optimization and has been successfully applied across various scenarios. However, BO suffers from the curse of dimensionality, making it challenging to scale…

Machine Learning · Computer Science 2025-04-03 Vu Viet Hoang , Hung The Tran , Sunil Gupta , Vu Nguyen

We present PESMO, a Bayesian method for identifying the Pareto set of multi-objective optimization problems, when the functions are expensive to evaluate. The central idea of PESMO is to choose evaluation points so as to maximally reduce…

Machine Learning · Statistics 2016-02-23 Daniel Hernández-Lobato , José Miguel Hernández-Lobato , Amar Shah , Ryan P. Adams

Multi-objective optimization (MOO) is a well-studied problem for several important recommendation problems. While multiple approaches have been proposed, in this work, we focus on using constrained optimization formulations (e.g., quadratic…

Applications · Statistics 2016-02-16 Kinjal Basu , Ankan Saha , Shaunak Chatterjee

In this paper, a branch and bound algorithm that incorporates the decision maker's preference information is proposed for multiobjective optimization. In the proposed algorithm, a new discarding test is designed to check whether a box…

Optimization and Control · Mathematics 2023-02-28 Weitian Wu , Xinmin Yang

The surrogate-assisted optimization algorithm is a promising approach for solving expensive multi-objective optimization problems. However, most existing surrogate-assisted multi-objective optimization algorithms have three main drawbacks:…

Neural and Evolutionary Computing · Computer Science 2018-11-06 Xi Lin , Hui-Ling Zhen , Zhenhua Li , Qingfu Zhang , Sam Kwong

Multi-objective learning under user-specified preference is common in real-world problems such as multi-lingual speech recognition under fairness. In this work, we frame such a problem as a semivectorial bilevel optimization problem, whose…

Optimization and Control · Mathematics 2025-04-07 Lisha Chen , Quan Xiao , Ellen Hidemi Fukuda , Xinyi Chen , Kun Yuan , Tianyi Chen

Multi-objective Bayesian optimization (MOBO) provides a principled framework for navigating trade-offs in molecular design. However, its empirical advantages over scalarized alternatives remain underexplored. We benchmark a simple…

Machine Learning · Computer Science 2025-12-25 Anabel Yong , Austin Tripp , Layla Hosseini-Gerami , Brooks Paige

Optimization problems have been the subject of statistical physics approximations. A specially relevant and general scenario is provided by optimization methods considering tradeoffs between cost and efficiency, where optimal solutions…

Statistical Mechanics · Physics 2015-09-16 Luís F. Seoane , Ricard V. Solé

In this paper, we consider multi-objective optimization problems with a sparsity constraint on the vector of variables. For this class of problems, inspired by the homonymous necessary optimality condition for sparse single-objective…

Optimization and Control · Mathematics 2024-03-07 Matteo Lapucci , Pierluigi Mansueto

We analyze a pointwise tracking multiobjective optimal control problem subject to the Poisson problem and bilateral control constraints. To approximate Pareto optimal points and the Pareto front numerically, we consider two different finite…

Optimization and Control · Mathematics 2025-05-21 Francisco Fuica , Stefan Volkwein

Multi-objective optimization can be found in many real-world applications where some conflicting objectives can not be optimized by a single solution. Existing optimization methods often focus on finding a set of Pareto solutions with…

Machine Learning · Computer Science 2026-01-21 Xi Lin , Yilu Liu , Xiaoyuan Zhang , Fei Liu , Zhenkun Wang , Qingfu Zhang

One of the consequences of network densification is more frequent handovers (HO). HO failures have a direct impact on the quality of service and are undesirable, especially in scenarios with strict latency, reliability, and robustness…

Networking and Internet Architecture · Computer Science 2023-01-26 Eloise de Carvalho Rodrigues , Alvaro Valcarce Rial , Giovanni Geraci

Consider a problem where a set of feasible observations are provided by an expert and a cost function is defined that characterizes which of the observations dominate the others and are hence, preferred. Our goal is to find a set of linear…

Optimization and Control · Mathematics 2020-09-14 Kimia Ghobadi , Houra Mahmoudzadeh

Pareto optimization via evolutionary multi-objective algorithms has been shown to efficiently solve constrained monotone submodular functions. Traditionally when solving multiple problems, the algorithm is run for each problem separately.…

Neural and Evolutionary Computing · Computer Science 2026-04-17 Liam Wigney , Frank Neumann

This paper provides a novel framework for solving multiobjective discrete optimization problems with an arbitrary number of objectives. Our framework formulates these problems as network models, in that enumerating the Pareto frontier…

Optimization and Control · Mathematics 2018-09-06 David Bergman , Merve Bodur , Carlos Cardonha , Andre A. Cire

Design problems in industrial engineering often involve a large number of design variables with multiple objectives, under complex nonlinear constraints. The algorithms for multiobjective problems can be significantly different from the…

Optimization and Control · Mathematics 2013-03-27 Xin-She Yang

Many problems in robotics seek to simultaneously optimize several competing objectives under constraints. A conventional approach to solving such multi-objective optimization problems is to create a single cost function comprised of the…

Robotics · Computer Science 2022-06-02 Alexander Botros , Armin Sadeghi , Nils Wilde , Javier Alonso-Mora , Stephen L. Smith

In this paper, we deal with the Front Steepest Descent algorithm for multi-objective optimization. We point out that the algorithm from the literature is often incapable, by design, of spanning large portions of the Pareto front. We thus…

Optimization and Control · Mathematics 2023-03-17 Matteo Lapucci , Pierluigi Mansueto