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Parameter calibration is a significant challenge in agent-based modelling and simulation (ABMS). An agent-based model's (ABM) complexity grows as the number of parameters required to be calibrated increases. This parameter expansion leads…

Machine Learning · Computer Science 2021-08-20 Rylan Perumal , Terence L van Zyl

Computational models are invaluable in capturing the complexities of real-world biological processes. Yet, the selection of appropriate algorithms for inference tasks, especially when dealing with real-world observational data, remains a…

Applications · Statistics 2024-10-01 Xiaoyu Wang , Ryan P. Kelly , Adrianne L. Jenner , David J. Warne , Christopher Drovandi

Despite the recent progress in hyperparameter optimization (HPO), available benchmarks that resemble real-world scenarios consist of a few and very large problem instances that are expensive to solve. This blocks researchers and…

Machine Learning · Computer Science 2019-11-26 Aaron Klein , Zhenwen Dai , Frank Hutter , Neil Lawrence , Javier Gonzalez

Prediction+optimization is a common real-world paradigm where we have to predict problem parameters before solving the optimization problem. However, the criteria by which the prediction model is trained are often inconsistent with the goal…

Machine Learning · Computer Science 2021-11-23 Kai Yan , Jie Yan , Chuan Luo , Liting Chen , Qingwei Lin , Dongmei Zhang

High-fidelity physics simulations are powerful tools in the design and optimization of charged particle accelerators. However, the computational burden of these simulations often limits their use in practice for design optimization and…

Accelerator Physics · Physics 2020-04-15 Auralee Edelen , Nicole Neveu , Yannick Huber , Mattias Frey , Christopher Mayes , Andreas Adelmann

Sample efficiency in the face of computationally expensive simulations is a common concern in surrogate modeling. Current strategies to minimize the number of samples needed are not as effective in simulated environments with wide state…

Machine Learning · Computer Science 2025-09-03 Julen Cestero , Marco Quartulli , Marcello Restelli

Accurate modeling of the patient flow within an Emergency Department (ED) is required by all studies dealing with the increasing and well-known problem of overcrowding. Since Discrete Event Simulation (DES) models are often adopted with the…

Optimization and Control · Mathematics 2021-02-02 A. De Santis , T. Giovannelli , S. Lucidi , M. Messedaglia , M. Roma

Bayesian Optimization is a popular tool for tuning algorithms in automatic machine learning (AutoML) systems. Current state-of-the-art methods leverage Random Forests or Gaussian processes to build a surrogate model that predicts algorithm…

Machine Learning · Computer Science 2021-01-08 Jeroen van Hoof , Joaquin Vanschoren

The central task in modeling complex dynamical systems is parameter estimation. This task involves numerous evaluations of a computationally expensive objective function. Surrogate-based optimization introduces a computationally efficient…

Machine Learning · Computer Science 2019-12-19 Žiga Lukšič , Jovan Tanevski , Sašo Džeroski , Ljupčo Todorovski

Nursing homes are critical facilities for caring frail older adults with round-the-clock formal care and personal assistance. To ensure quality care for nursing home residents, adequate staffing level is of great importance. Current nursing…

Applications · Statistics 2021-02-09 Xuxue Sun , Nan Kong , Nazmus Sakib , Chao Meng , Kathryn Hyer , Hongdao Meng , Chris Masterson , Mingyang Li

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 estimation of unknown parameters in simulations, also known as calibration, is crucial for practical management of epidemics and prediction of pandemic risk. A simple yet widely used approach is to estimate the parameters by minimizing…

Methodology · Statistics 2023-06-26 Chih-Li Sung , Ying Hung

The optimal selection of experimental conditions is essential to maximizing the value of data for inference and prediction, particularly in situations where experiments are time-consuming and expensive to conduct. We propose a general…

Machine Learning · Statistics 2012-12-04 Xun Huan , Youssef M. Marzouk

For developing innovative systems architectures, modeling and optimization techniques have been central to frame the architecting process and define the optimization and modeling problems. In this context, for system-of-systems the use of…

Artificial Intelligence · Computer Science 2026-05-07 Paul Saves , Jasper Bussemaker , Rémi Lafage , Thierry Lefebvre , Nathalie Bartoli , Youssef Diouane , Joseph Morlier

The data-centric construction of inexpensive surrogates for fine-grained, physical models has been at the forefront of computational physics due to its significant utility in many-query tasks such as uncertainty quantification. Recent…

Machine Learning · Statistics 2021-03-17 Maximilian Rixner , Phaedon-Stelios Koutsourelakis

In computer experiments, a mathematical model implemented on a computer is used to represent complex physical phenomena. These models, known as computer simulators, enable experimental study of a virtual representation of the complex…

Methodology · Statistics 2012-07-03 Hugh Chipman , Pritam Ranjan , Weiwei Wang

For hospitals, realistic forecasting of bed demand during impending epidemics of infectious diseases is essential to avoid being overwhelmed by a potential sudden increase in the number of admitted patients. Short-term forecasting can aid…

Quantitative Methods · Quantitative Biology 2023-01-24 Angelo D'Ambrosio , Raisa Kociurzynski , Alexis Papathanassopoulos , Fabian Bürkin , Hajo Grundmann , Tjibbe Donker

In Biomedical Natural Language Processing (BioNLP) tasks, such as Relation Extraction, Named Entity Recognition, and Text Classification, the scarcity of high-quality data remains a significant challenge. This limitation poisons large…

Computation and Language · Computer Science 2025-04-01 Zhengyi Zhao , Shubo Zhang , Bin Liang , Binyang Li , Kam-Fai Wong

Simulation is a useful tool in situations where training data for machine learning models is costly to annotate or even hard to acquire. In this work, we propose a reinforcement learning-based method for automatically adjusting the…

Machine Learning · Computer Science 2019-05-15 Nataniel Ruiz , Samuel Schulter , Manmohan Chandraker

Our paper deals with inferring simulator-based statistical models given some observed data. A simulator-based model is a parametrized mechanism which specifies how data are generated. It is thus also referred to as generative model. We…

Machine Learning · Statistics 2016-01-01 Michael U. Gutmann , Jukka Corander