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Recent advances in the field of machine learning open a new era in high performance computing. Applications of machine learning algorithms for the development of accurate and cost-efficient surrogates of complex problems have already…

Numerical Analysis · Mathematics 2022-08-26 Stefanos Nikolopoulos , Ioannis Kalogeris , Vissarion Papadopoulos , George Stavroulakis

Mixed-integer optimization is at the core of many online decision-making systems that demand frequent updates of decisions in real time. However, due to their combinatorial nature, mixed-integer linear programs (MILPs) can be difficult to…

Optimization and Control · Mathematics 2026-04-21 Shivi Dixit , Rishabh Gupta , Qi Zhang

Machine-learning models that learn from data to predict how protein sequence encodes function are emerging as a useful protein engineering tool. However, when using these models to suggest new protein designs, one must deal with the vast…

Quantitative Methods · Quantitative Biology 2021-07-07 Brian L. Hie , Kevin K. Yang

Benders decomposition is a widely used method for solving large optimization problems, but its performance is often hindered by the repeated solution of subproblems. We propose a flexible and modular algorithmic framework for accelerating…

Optimization and Control · Mathematics 2025-08-05 Parth Brahmbhatt , David L. Cole , Victor M. Zavala , Styliani Avraamidou

Can we evolve better training data for machine learning algorithms? To investigate this question we use population-based optimisation algorithms to generate artificial surrogate training data for naive Bayes for regression. We demonstrate…

Artificial Intelligence · Computer Science 2018-11-29 Michael Mayo , Eibe Frank

We propose a clustering-based iterative algorithm to solve certain optimization problems in machine learning, where we start the algorithm by aggregating the original data, solving the problem on aggregated data, and then in subsequent…

Machine Learning · Statistics 2017-01-23 Young Woong Park , Diego Klabjan

The optimization of functional materials is important to enhance their properties, but their complex geometries pose great challenges to optimization. Data-driven algorithms efficiently navigate such complex design spaces by learning…

Computational Engineering, Finance, and Science · Computer Science 2025-06-05 Seongmin Kim , In-Saeng Suh

In product design, a decomposition of the overall product function into a set of smaller, interacting functions is usually considered a crucial first step for any computer-supported design tool. Here, we propose a new approach for the…

Artificial Intelligence · Computer Science 2023-02-10 Philipp Rosenthal , Niels Demke , Frank Mantwill , Oliver Niggemann

Numerical optimization of complex systems benefits from the technological development of computing platforms in the last twenty years. Unfortunately, this is still not enough, and a large computational time is still necessary when…

Optimization and Control · Mathematics 2022-09-07 Daniele Peri

We consider electricity capacity expansion models, which optimize investment and retirement decisions by minimizing both investment and operation costs. In order to provide credible support for planning and policy decisions, these models…

Optimization and Control · Mathematics 2025-01-08 Filippo Pecci , Jesse D. Jenkins

In traditional topology optimization, the computing time required to iteratively update the material distribution within a design domain strongly depends on the complexity or size of the problem, limiting its application in real engineering…

Computational Engineering, Finance, and Science · Computer Science 2024-05-14 Gabriel Garayalde , Matteo Torzoni , Matteo Bruggi , Alberto Corigliano

In this contribution, we develop an efficient surrogate modeling framework for simulation-based optimization of enhanced oil recovery, where we particularly focus on polymer flooding. The computational approach is based on an adaptive…

Numerical Analysis · Mathematics 2022-03-04 Tim Keil , Hendrik Kleikamp , Rolf J Lorentzen , Micheal B Oguntola , Mario Ohlberger

Benders decomposition (BD), along with its generalized version (GBD), is a widely used algorithm for solving large-scale mixed-integer optimization problems that arise in the operation of process systems. However, the off-the-shelf…

Optimization and Control · Mathematics 2025-08-12 Zhe Li , Bernard T. Agyeman , Ilias Mitrai , Prodromos Daoutidis

A surrogate-based topology optimisation algorithm for linear elastic structures under parametric loads and boundary conditions is proposed. Instead of learning the parametric solution of the state (and adjoint) problems or the optimisation…

Numerical Analysis · Mathematics 2025-11-04 Matteo Giacomini , Antonio Huerta

We propose a methodology, based on machine learning and optimization, for selecting a solver configuration for a given instance. First, we employ a set of solved instances and configurations in order to learn a performance function of the…

Optimization and Control · Mathematics 2024-01-10 Gabriele Iommazzo , Claudia D'Ambrosio , Antonio Frangioni , Leo Liberti

Solving complex problems requires continuous effort in developing theory and practice to cope with larger, more difficult scenarios. Working with surrogates is normal for creating a proxy that realistically models the problem into the…

Neural and Evolutionary Computing · Computer Science 2026-02-10 Tomohiro Harada , Enrique Alba , Gabriel Luque

Problem decomposition plays a vital role when applying cooperative coevolution (CC) to large scale global optimization problems. However, most learning-based decomposition algorithms either only apply to additively separable problems or…

Neural and Evolutionary Computing · Computer Science 2021-01-20 An Chen , Zhigang Ren , Muyi Wang , Yongsheng Liang , Hanqing Liu , Wenhao Du

It is increasingly common to solve combinatorial optimisation problems that are partially-specified. We survey the case where the objective function or the relations between variables are not known or are only partially specified. The…

Machine Learning · Computer Science 2022-05-23 Stefano Teso , Laurens Bliek , Andrea Borghesi , Michele Lombardi , Neil Yorke-Smith , Tias Guns , Andrea Passerini

Many engineering processes can be accurately modelled using partial differential equations (PDEs), but high dimensionality and non-convexity of the resulting systems pose limitations on their efficient optimisation. In this work, a model…

Optimization and Control · Mathematics 2024-10-17 Min Tao , Panagiotis Petsagkourakis , Jie Li , Constantinos Theodoropoulos

Research aimed at scaling up neuroscience inspired learning algorithms for neural networks is accelerating. Recently, a key research area has been the study of energy-based learning algorithms such as predictive coding, due to their…

Machine Learning · Computer Science 2026-01-30 Luca Pinchetti , Simon Frieder , Thomas Lukasiewicz , Tommaso Salvatori