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Expensive multi-objective optimization problems (EMOPs) are common in real-world scenarios where evaluating objective functions is costly and involves extensive computations or physical experiments. Current Pareto set learning methods for…

Machine Learning · Computer Science 2025-03-18 Minh-Duc Nguyen , Phuong Mai Dinh , Quang-Huy Nguyen , Long P. Hoang , Dung D. Le

Multi-objective discrete optimization problems, such as molecular design, pose significant challenges due to their vast and unstructured combinatorial spaces. Traditional evolutionary algorithms often get trapped in local optima, while…

Machine Learning · Computer Science 2025-10-09 Nian Ran , Zhongzheng Li , Yue Wang , Qingsong Ran , Xiaoyuan Zhang , Shikun Feng , Richard Allmendinger , Xiaoguang Zhao

Recent advances in the visualization of continuous multimodal multi-objective optimization (MMMOO) landscapes brought a new perspective to their search dynamics. Locally efficient (LE) sets, often considered as traps for local search, are…

Optimization and Control · Mathematics 2022-04-25 Lennart Schäpermeier , Christian Grimme , Pascal Kerschke

Many real-world classification tasks require predicting multiple labels per instance, necessitating the optimization of complex evaluation metrics such as the $F$-measure and Jaccard index. While the Empirical Utility Maximization (EUM)…

Machine Learning · Computer Science 2026-05-28 Mehryar Mohri , Yutao Zhong

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

Multiobjective optimization (MOO) is prevalent in numerous applications, in which a Pareto front (PF) is constructed to display optima under various preferences. Previous methods commonly utilize the set of Pareto objectives (particles on…

Machine Learning · Computer Science 2024-02-16 Xiaoyuan Zhang , Xi Lin , Yichi Zhang , Yifan Chen , Qingfu Zhang

Multiobjective combinatorial optimization (MOCO) problems can be found in many real-world applications. However, exactly solving these problems would be very challenging, particularly when they are NP-hard. Many handcrafted heuristic…

Machine Learning · Computer Science 2022-05-10 Xi Lin , Zhiyuan Yang , Qingfu Zhang

Machine learning (ML) outperforms traditional approaches in many molecular design tasks. ML models usually predict molecular properties from a 2D chemical graph or a single 3D structure, but neither of these representations accounts for the…

Computational Physics · Physics 2022-02-11 Simon Axelrod , Rafael Gomez-Bombarelli

New machine learning based algorithms have been developed and tested for Monte Carlo integration based on generative Boosted Decision Trees and Deep Neural Networks. Both of these algorithms exhibit substantial improvements compared to…

High Energy Physics - Phenomenology · Physics 2017-07-04 Joshua Bendavid

Automated Machine Learning (AutoML) is a promising direction for democratizing AI by automatically deploying Machine Learning systems with minimal human expertise. The core technical challenge behind AutoML is optimizing the pipelines of…

Machine Learning · Computer Science 2023-05-26 Sebastian Pineda Arango , Josif Grabocka

Reliability assessment of engineering systems often requires repeated evaluations of limit-state functions that may rely on computationally expensive high-fidelity models, rendering direct sampling-based reliability analysis impractical. An…

Computational Engineering, Finance, and Science · Computer Science 2026-05-13 Jonathan A. Moran , Pablo G. Morato

Preliminary low-thrust spacecraft mission design is a global search problem characterized by a complex solution landscape, multiple objectives, and numerous local minima. During this phase, mission parameters are often not yet fully…

Systems and Control · Electrical Eng. & Systems 2026-05-12 Jannik Graebner , Ryne Beeson

Distributed optimization is fundamental to modern machine learning applications like federated learning, but existing methods often struggle with ill-conditioned problems and face stability-versus-speed tradeoffs. We introduce fractional…

Machine Learning · Computer Science 2024-12-04 Andrei Lixandru , Marcel van Gerven , Sergio Pequito

Structural learning, a method to estimate the parameters for discrete energy minimization, has been proven to be effective in solving computer vision problems, especially in 3D scene parsing. As the complexity of the models increases,…

Computer Vision and Pattern Recognition · Computer Science 2017-01-13 Mengtian Li , Daniel Huber

Large Language Models (LLMs) have achieved remarkable success across diverse applications, yet their deployment remains challenging due to substantial computational costs, memory requirements, and energy consumption. Recent empirical…

Machine Learning · Computer Science 2026-03-24 Kaito Tanaka , Masato Ito , Yuji Nishimura , Keisuke Matsuda , Aya Nakayama

In the field of evolutionary multi-objective optimization, the approximation of the Pareto front (PF) is achieved by utilizing a collection of representative candidate solutions that exhibit desirable convergence and diversity. Although…

Neural and Evolutionary Computing · Computer Science 2024-07-10 Peng Chen , Jing Liang , Kangjia Qiao , Ponnuthurai Nagaratnam Suganthan , Xuanxuan Ban

In engineering practice, it is often necessary to increase the effectiveness of existing protective constructions for ports and coasts (i. e. breakwaters) by extending their configuration, because existing configurations don't provide the…

Neural and Evolutionary Computing · Computer Science 2021-09-09 Nikolay O. Nikitin , Iana S. Polonskaia , Anna V. Kalyuzhnaya , Alexander V. Boukhanovsky

In future energy systems characterized by significant shares of fluctuating renewable energy sources, there is a need for a fundamental change in electricity consumption. The energy system requires the ability to adapt to the intermittent…

Systems and Control · Electrical Eng. & Systems 2024-07-17 Thomas Dengiz , Andrea Raith , Max Kleinebrahm , Jonathan Vogl , Wolf Fichtner

Active learning (AL) can drastically accelerate materials discovery; its power has been shown in various classes of materials and target properties. Prior efforts have used machine learning models for the optimal selection of physical…

Materials Science · Physics 2021-10-18 David E. Farache , Juan C. Verduzco , Zachary D. McClure , Saaketh Desai , Alejandro Strachan

We introduce DynAMO, a reinforcement learning paradigm for Dynamic Anticipatory Mesh Optimization. Adaptive mesh refinement is an effective tool for optimizing computational cost and solution accuracy in numerical methods for partial…

Numerical Analysis · Mathematics 2024-03-12 Tarik Dzanic , Ketan Mittal , Dohyun Kim , Jiachen Yang , Socratis Petrides , Brendan Keith , Robert Anderson