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Geometric machine learning models such as graph neural networks have achieved remarkable success in recent years in chemical and materials science research for applications such as high-throughput virtual screening and atomistic…

Materials Science · Physics 2025-04-16 Lingyu Kong , Nima Shoghi , Guoxiang Hu , Pan Li , Victor Fung

Multi-Task Learning (MTL) is a foundational machine learning problem that has seen extensive development over the past decade. Recently, various optimization-based MTL approaches have been proposed to learn multiple tasks simultaneously by…

Machine Learning · Computer Science 2026-04-13 Zhipeng Zhou , Linxiao Cao , Pengcheng Wu , Peilin Zhao , Chunyan Miao

Machine learning algorithms have been used widely in various applications and areas. To fit a machine learning model into different problems, its hyper-parameters must be tuned. Selecting the best hyper-parameter configuration for machine…

Machine Learning · Computer Science 2022-10-06 Li Yang , Abdallah Shami

In the current paper, we present an optimization system solving multi objective production scheduling problems (MOOPPS). The identification of Pareto optimal alternatives or at least a close approximation of them is possible by a set of…

Artificial Intelligence · Computer Science 2008-09-08 Martin Josef Geiger

Constraint programming is used for a variety of real-world optimisation problems, such as planning, scheduling and resource allocation problems. At the same time, one continuously gathers vast amounts of data about these problems. Current…

Multi-objective Bayesian optimization has been widely adopted in scientific experiment design, including drug discovery and hyperparameter optimization. In practice, regulatory or safety concerns often impose additional thresholds on…

Machine Learning · Computer Science 2025-04-22 Diantong Li , Fengxue Zhang , Chong Liu , Yuxin Chen

Finding specific preference-guided Pareto solutions that represent different trade-offs among multiple objectives is critical yet challenging in multi-objective problems. Existing methods are restrictive in preference definitions and/or…

Machine Learning · Computer Science 2025-03-28 Lisha Chen , AFM Saif , Yanning Shen , Tianyi Chen

Benchmark problems are an important tool for gaining understanding of optimization algorithms. Since algorithms often aim to perform well on benchmarks, biases in benchmark design provide misleading insights. In single-objective…

Neural and Evolutionary Computing · Computer Science 2026-04-14 Diederick Vermetten , Jeroen Rook

Allocation and planning with a collection of tasks and a group of agents is an important problem in multiagent systems. One commonly faced bottleneck is scalability, as in general the multiagent model increases exponentially in size with…

Multiagent Systems · Computer Science 2023-05-09 Thomas Robinson , Guoxin Su

Constrained Optimization solution algorithms are restricted to point based solutions. In practice, single or multiple objectives must be satisfied, wherein both the objective function and constraints can be non-convex resulting in multiple…

Neural and Evolutionary Computing · Computer Science 2021-01-05 Gurpreet Singh , Soumyajit Gupta , Matthew Lease

Machine learning models are widely used for real-world applications, such as document analysis and vision. Constrained machine learning problems are problems where learned models have to both be accurate and respect constraints. For…

Machine Learning · Computer Science 2021-12-03 Guillaume Perez , Sebastian Ament , Carla Gomes , Arnaud Lallouet

We consider problems with multiple linear objectives and linear constraints and use Adjustable Robust Optimization and Polynomial Optimization as tools to approximate the Pareto set with polynomials of arbitrarily large degree. The main…

Optimization and Control · Mathematics 2015-01-13 Bram L. Gorissen , Dick den Hertog

In this paper, we propose a variable metric method for unconstrained multiobjective optimization problems (MOPs). First, a sequence of points is generated using different positive definite matrices in the generic framework. It is proved…

Optimization and Control · Mathematics 2022-07-18 Jian Chen , Gaoxi Li , Xinmin Yang

The growing number of pretrained models in Machine Learning (ML) presents significant challenges for practitioners. Given a new dataset, they need to determine the most suitable deep learning (DL) pipeline, consisting of the pretrained…

Machine Learning · Computer Science 2025-06-17 Fabio Ferreira

Multi-objective AI planning suffers from a lack of benchmarks exhibiting known Pareto Fronts. In this work, we propose a tunable benchmark generator, together with a dedicated solver that provably computes the true Pareto front of the…

Artificial Intelligence · Computer Science 2023-05-01 Alexandre Quemy , Marc Schoenauer , Johann Dreo

Machine unlearning (MU) aims to remove the influence of specific data from a trained model. However, approximate unlearning methods, often formulated as a single-objective optimization (SOO) problem, face a critical trade-off between…

Machine Learning · Computer Science 2025-10-23 Youngsik Hwang , Dong-Young Lim

Constrained single-objective problems have been frequently tackled by evolutionary multi-objective algorithms where the constraint is relaxed into an additional objective. Recently, it has been shown that Pareto optimization approaches…

Neural and Evolutionary Computing · Computer Science 2024-06-10 Frank Neumann , Carsten Witt

We present MOSS, a multi-objective optimization framework for constructing stable sets of decision rules. MOSS incorporates three important criteria for interpretability: sparsity, accuracy, and stability, into a single multi-objective…

Optimization and Control · Mathematics 2025-07-31 Brian Liu , Rahul Mazumder

Multiobjective optimization plays an increasingly important role in modern applications, where several objectives are often of equal importance. The task in multiobjective optimization and multiobjective optimal control is therefore to…

Optimization and Control · Mathematics 2019-06-24 Stefan Banholzer , Bennet Gebken , Michael Dellnitz , Sebastian Peitz , Stefan Volkwein

Automatic performance tuning (auto-tuning) is essential for optimizing high-performance applications, where vast and irregular search spaces make manual exploration infeasible. While auto-tuners traditionally rely on classical approaches…

Machine Learning · Computer Science 2026-04-01 Floris-Jan Willemsen , Niki van Stein , Ben van Werkhoven