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Parameter calibration is a major challenge in agent-based modelling and simulation (ABMS). As the complexity of agent-based models (ABMs) increase, the number of parameters required to be calibrated grows. This leads to the ABMS equivalent…

Machine Learning · Computer Science 2020-08-28 Rylan Perumal , Terence L van Zyl

Explicitly accounting for uncertainties is paramount to the safety of engineering structures. Optimization which is often carried out at the early stage of the structural design offers an ideal framework for this task. When the…

Methodology · Statistics 2022-12-14 M. Moustapha , A. Galimshina , G. Habert , B. Sudret

Automated hyperparameter optimization (HPO) has gained great popularity and is an important ingredient of most automated machine learning frameworks. The process of designing HPO algorithms, however, is still an unsystematic and manual…

With computational models becoming more expensive and complex, surrogate models have gained increasing attention in many scientific disciplines and are often necessary to conduct sensitivity studies, parameter optimization etc. In the…

Methodology · Statistics 2023-07-24 Matthias Fischer , Carsten Proppe

Surrogate-based optimization, nature-inspired metaheuristics, and hybrid combinations have become state of the art in algorithm design for solving real-world optimization problems. Still, it is difficult for practitioners to get an overview…

Neural and Evolutionary Computing · Computer Science 2021-01-26 Jörg Stork , A. E. Eiben , Thomas Bartz-Beielstein

We consider the problem of constructing surrogate operators for parameter-to-solution maps arising from parametric partial differential equations, where repeated forward model evaluations are computationally expensive. We present a…

Machine Learning · Computer Science 2026-04-02 Josephine Westermann , Benno Huber , Thomas O'Leary-Roseberry , Jakob Zech

Dynamic Algorithm Configuration (DAC) aims to dynamically control a target algorithm's hyperparameters in order to improve its performance. Several theoretical and empirical results have demonstrated the benefits of dynamically controlling…

Artificial Intelligence · Computer Science 2021-12-07 Theresa Eimer , André Biedenkapp , Maximilian Reimer , Steven Adriaensen , Frank Hutter , Marius Lindauer

The integration of Reinforcement Learning (RL) and Evolutionary Algorithms (EAs) aims at simultaneously exploiting the sample efficiency as well as the diversity and robustness of the two paradigms. Recently, hybrid learning frameworks…

Neural and Evolutionary Computing · Computer Science 2022-11-08 Yuxing Wang , Tiantian Zhang , Yongzhe Chang , Bin Liang , Xueqian Wang , Bo Yuan

Optimization algorithms are very different from human optimizers. A human being would gain more experiences through problem-solving, which helps her/him in solving a new unseen problem. Yet an optimization algorithm never gains any…

Neural and Evolutionary Computing · Computer Science 2024-10-28 Xunzhao Yu , Yan Wang , Ling Zhu , Dimitar Filev , Xin Yao

Optimization problems with nonlinear cost functions and combinatorial constraints appear in many real-world applications but remain challenging to solve efficiently compared to their linear counterparts. To bridge this gap, we propose…

Machine Learning · Computer Science 2023-07-20 Aaron Ferber , Taoan Huang , Daochen Zha , Martin Schubert , Benoit Steiner , Bistra Dilkina , Yuandong Tian

Recent advancements in Machine Learning (ML) have substantially improved its predictive and computational abilities, offering promising opportunities for surrogate modeling in scientific applications. By accurately approximating complex…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-08-28 Zane Fink , Konstantinos Parasyris , Praneet Rathi , Giorgis Georgakoudis , Harshitha Menon , Peer-Timo Bremer

Surrogate models for partial-differential equations are widely used in the design of meta-materials to rapidly evaluate the behavior of composable components. However, the training cost of accurate surrogates by machine learning can rapidly…

Machine Learning · Computer Science 2020-11-04 Raphaël Pestourie , Youssef Mroueh , Thanh V. Nguyen , Payel Das , Steven G. Johnson

Significant effort has been made to solve computationally expensive optimization problems in the past two decades, and various optimization methods incorporating surrogates into optimization have been proposed. Most research focuses on…

Optimization and Control · Mathematics 2022-04-11 Julian Blank , Kalyanmoy Deb

The Area Under the Curve (AUC) is an important performance metric for classification tasks, particularly in class-imbalanced scenarios. However, minimizing the AUC presents significant challenges due to the non-convex and discontinuous…

Machine Learning · Computer Science 2025-10-27 JunRu Luo , Difei Cheng , Bo Zhang

Existing AI evaluation practices often fail to capture how systems actually perform in low-resource environments, where operational constraints shape usability as much as model quality. Through a structured analysis of existing benchmark…

Artificial Intelligence · Computer Science 2026-05-28 Aakash Pant , Kavya Shah , Apoorv Agnihotri , Sneha Nikam , Prasaanth Balraj , Nakul Jain

Amortized Bayesian model comparison (BMC) enables fast probabilistic ranking of models via simulation-based training of neural surrogates. However, the accuracy of neural surrogates deteriorates when simulation models are misspecified; the…

Machine Learning · Statistics 2026-05-13 Šimon Kucharský , Aayush Mishra , Daniel Habermann , Stefan T. Radev , Paul-Christian Bürkner

Benchmarking the performance of quantum optimization algorithms is crucial for identifying utility for industry-relevant use cases. Benchmarking processes vary between optimization applications and depend on user-specified goals. The…

We establish a formal connection between the decades-old surrogate outcome model in biostatistics and economics and the emerging field of prediction-powered inference (PPI). The connection treats predictions from pre-trained models,…

Machine Learning · Statistics 2025-01-17 Wenlong Ji , Lihua Lei , Tijana Zrnic

Multi-agent simulations enables the modeling and analyses of the dynamic behaviors and interactions of autonomous entities evolving in complex environments. Agent-based models (ABM) are widely used to study emergent phenomena arising from…

Machine Learning · Computer Science 2025-05-20 Paul Saves , Nicolas Verstaevel , Benoît Gaudou

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