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Agent-based modeling (ABM) is a powerful computational approach for studying complex biological and biomedical systems, yet its widespread use remains limited by significant computational demands. As models become increasingly…

Quantitative Methods · Quantitative Biology 2025-04-17 Kerri-Ann Norton , Daniel Bergman , Harsh Vardhan Jain , Trachette Jackson

Generating simulated training data needed for constructing sufficiently accurate surrogate models to be used for efficient optimization or parameter identification can incur a huge computational effort in the offline phase. We consider a…

Numerical Analysis · Mathematics 2024-04-03 Phillip Semler , Martin Weiser

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

Background: With the increasing availability of healthcare data, predictive modeling finds many applications in the biomedical domain, such as the evaluation of the level of risk for various conditions, which in turn can guide clinical…

Hyperparameter optimization is the process of identifying the appropriate hyperparameter configuration of a given machine learning model with regard to a given learning task. For smaller data sets, an exhaustive search is possible; However,…

Machine Learning · Computer Science 2022-09-30 Blaž Škrlj , Adi Schwartz , Jure Ferlež , Davorin Kopič , Naama Ziporin

The ongoing development of quantum processors is driving breakthroughs in scientific discovery. Despite this progress, the formidable cost of fabricating large-scale quantum processors means they will remain rare for the foreseeable future,…

Quantum Physics · Physics 2025-07-24 Wei-You Liao , Yuxuan Du , Xinbiao Wang , Tian-Ci Tian , Yong Luo , Bo Du , Dacheng Tao , He-Liang Huang

Surrogate-assisted evolutionary algorithms have been widely developed to solve complex and computationally expensive multi-objective optimization problems in recent years. However, when dealing with high-dimensional optimization problems,…

Neural and Evolutionary Computing · Computer Science 2024-03-19 Guodong Chen , Jiu Jimmy Jiao , Xiaoming Xue , Zhongzheng Wang

Parametric reduced-order modelling often serves as a surrogate method for hemodynamics simulations to improve the computational efficiency in many-query scenarios or to perform real-time simulations. However, the snapshots of the method…

Computational Engineering, Finance, and Science · Computer Science 2023-10-24 Dongwei Ye , Valeria Krzhizhanovskaya , Alfons G. Hoekstra

Surrogate modeling has become a valuable technique for black-box optimization tasks with expensive evaluation of the objective function. In this paper, we investigate the relationship between the predictive accuracy of surrogate models and…

Neural and Evolutionary Computing · Computer Science 2022-10-04 Zbyněk Pitra , Jan Koza , Jiří Tumpach , Martin Holeňa

With the development of artificial intelligence, simulation-based optimization problems, which present a significant challenge in the process systems engineering community, are increasingly being addressed with the surrogate-based…

Optimization and Control · Mathematics 2025-01-30 Zixuan Zhang , Xiaowei Song , Yujiao Zeng , Jie Li , Yaling Nie , Min Zhu , Jianhua Chen , Linmin Wang , Xin Xiao

In this paper we propose a novel method for learning how algorithms perform. Classically, algorithms are compared on a finite number of existing (or newly simulated) benchmark datasets based on some fixed metrics. The algorithm(s) with the…

Data Structures and Algorithms · Computer Science 2019-11-01 Henry Wilde , Vincent Knight , Jonathan Gillard

Expensive optimization problems (EOPs) are prevalent in real-world applications, where the evaluation of a single solution requires a significant amount of resources. In our study of surrogate-assisted evolutionary algorithms (SAEAs) in…

Neural and Evolutionary Computing · Computer Science 2024-12-06 Hao Hao , Xiaoqun Zhang , Aimin Zhou

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

This paper presents a methodological framework for training, self-optimising, and self-organising surrogate models to approximate and speed up multiobjective optimisation of technical systems based on multiphysics simulations. At the hand…

Machine Learning · Computer Science 2024-04-04 Diego Botache , Jens Decke , Winfried Ripken , Abhinay Dornipati , Franz Götz-Hahn , Mohamed Ayeb , Bernhard Sick

A major archetype of artificial intelligence is developing algorithms facilitating temporal efficiency and accuracy while boosting the generalization performance. Even with the latest developments in machine learning, a key limitation has…

Machine Learning · Computer Science 2022-01-31 Meric Yucel , Serdar Bagis , Ahmet Sertbas , Mehmet Sarikaya , Burak Berk Ustundag

Stochastic inverse problems are generally solved by some form of finite sampling of a space of uncertain parameters. For computationally expensive models, surrogate response surfaces are often employed to increase the number of samples used…

Numerical Analysis · Mathematics 2018-07-04 Steven Mattis , Barbara Wohlmuth

Recent breakthroughs in artificial intelligence (AI) are reshaping the way we construct computational counterparts of the brain, giving rise to a new class of ``surrogate brains''. In contrast to conventional hypothesis-driven biophysical…

Neurons and Cognition · Quantitative Biology 2025-10-14 Yinuo Zhang , Demao Liu , Zhichao Liang , Jiani Cheng , Kexin Lou , Jinqiao Duan , Ting Gao , Bin Hu , Quanying Liu

Reasonable setting of traffic signals can be very helpful in alleviating congestion in urban traffic networks. Meta-heuristic optimization algorithms have proved themselves to be able to find high-quality signal timing plans. However, they…

Neural and Evolutionary Computing · Computer Science 2021-03-04 Yongsheng Liang , Zhigang Ren , Lin Wang , Hanqing Liu , Wenhao Du

The optimization of industrial processes remains a critical challenge, particularly when no mathematical formulation of objective functions or constraints is available. This study addresses this issue by proposing a surrogate-based,…

Computational Engineering, Finance, and Science · Computer Science 2025-07-16 Eider Garate-Perez , Kerman López de Calle-Etxabe , Susana Ferreiro

Metaheuristic search algorithms look for solutions that either maximise or minimise a set of objectives, such as cost or performance. However most real-world optimisation problems consist of nonlinear problems with complex constraints and…

Neural and Evolutionary Computing · Computer Science 2022-06-29 Manjinder Singh , Alexander E. I. Brownlee , David Cairns