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The sequential parameter optimization (SPOT) package for R is a toolbox for tuning and understanding simulation and optimization algorithms. Model-based investigations are common approaches in simulation and optimization. Sequential…

Neural and Evolutionary Computing · Computer Science 2010-06-25 Thomas Bartz-Beielstein

Machine learning algorithms such as random forests or xgboost are gaining more importance and are increasingly incorporated into production processes in order to enable comprehensive digitization and, if possible, automation of processes.…

Machine Learning · Computer Science 2021-07-20 Eva Bartz , Martin Zaefferer , Olaf Mersmann , Thomas Bartz-Beielstein

Clinical trials are essential to drug development but time-consuming, costly, and prone to failure. Accurate trial outcome prediction based on historical trial data promises better trial investment decisions and more trial success. Existing…

Machine Learning · Computer Science 2023-04-12 Zifeng Wang , Cao Xiao , Jimeng Sun

We consider the use of decision trees for decision-making problems under the predict-then-optimize framework. That is, we would like to first use a decision tree to predict unknown input parameters of an optimization problem, and then make…

Machine Learning · Computer Science 2020-06-19 Adam N. Elmachtoub , Jason Cheuk Nam Liang , Ryan McNellis

Policy constraint methods to offline reinforcement learning (RL) typically utilize parameterization or regularization that constrains the policy to perform actions within the support set of the behavior policy. The elaborative designs of…

Machine Learning · Computer Science 2022-10-13 Jialong Wu , Haixu Wu , Zihan Qiu , Jianmin Wang , Mingsheng Long

Leveraging planning during learning and decision-making is central to the long-term development of intelligent agents. Recent works have successfully combined tree-based search methods and self-play learning mechanisms to this end. However,…

Artificial Intelligence · Computer Science 2024-11-01 Matthew V Macfarlane , Edan Toledo , Donal Byrne , Paul Duckworth , Alexandre Laterre

Freight consolidation has significant potential to reduce transportation costs and mitigate congestion and pollution. An effective load consolidation plan relies on carefully chosen consolidation points to ensure alignment with existing…

Machine Learning · Computer Science 2025-04-15 Sikai Cheng , Amira Hijazi , Jeren Konak , Alan Erera , Pascal Van Hentenryck

In this paper, we introduce a Model-based Algorithm Turning Engine, namely MATE, where the parameters of an algorithm are represented as expressions of the features of a target optimisation problem. In contrast to most static…

Neural and Evolutionary Computing · Computer Science 2021-02-16 Mohamed El Yafrani , Marcella Scoczynski Ribeiro Martins , Inkyung Sung , Markus Wagner , Carola Doerr , Peter Nielsen

A surrogate model based hyperparameter tuning approach for deep learning is presented. This article demonstrates how the architecture-level parameters (hyperparameters) of deep learning models that were implemented in Keras/tensorflow can…

Machine Learning · Computer Science 2021-07-07 Thomas Bartz-Beielstein , Frederik Rehbach , Amrita Sen , Martin Zaefferer

Optimal Transport (OT) naturally arises in many machine learning applications, yet the heavy computational burden limits its wide-spread uses. To address the scalability issue, we propose an implicit generative learning-based framework…

Machine Learning · Computer Science 2019-06-26 Yujia Xie , Minshuo Chen , Haoming Jiang , Tuo Zhao , Hongyuan Zha

Most machine learning algorithms are configured by one or several hyperparameters that must be carefully chosen and often considerably impact performance. To avoid a time consuming and unreproducible manual trial-and-error process to find…

Interpretable reinforcement learning policies are essential for high-stakes decision-making, yet optimizing decision tree policies in Markov Decision Processes (MDPs) remains challenging. We propose SPOT, a novel method for computing…

Machine Learning · Computer Science 2025-10-23 Xuyuan Xiong , Pedro Chumpitaz-Flores , Kaixun Hua , Cheng Hua

Robust optimization over time (ROOT) refers to an optimization problem where its performance is evaluated over a period of future time. Most of the existing algorithms use particle swarm optimization combined with another method which…

Neural and Evolutionary Computing · Computer Science 2019-09-06 Lukáš Adam , Xin Yao

The `spotoptim` package implements surrogate-model-based optimization of expensive black-box functions in Python. Building on two decades of Sequential Parameter Optimization (SPO) methodology, it provides a Kriging-based optimization loop…

Machine Learning · Computer Science 2026-04-16 Thomas Bartz-Beielstein

Almost all optimization algorithms have algorithm-dependent parameters, and the setting of such parameter values can largely influence the behaviour of the algorithm under consideration. Thus, proper parameter tuning should be carried out…

Artificial Intelligence · Computer Science 2023-08-31 Geethu Joy , Christian Huyck , Xin-She Yang

Any industrial system goes along with objectives to be met (e.g. economic performance), disturbances to handle (e.g. market fluctuations, catalyst decay, unexpected variations in uncontrolled flow rates and compositions,...), and…

Optimization and Control · Mathematics 2021-08-20 Aris Papasavvas

Statistical learning methods have been growing in popularity in recent years. Many of these procedures have parameters that must be tuned for models to perform well. Research has been extensive in neural networks, but not for many other…

Machine Learning · Statistics 2023-03-15 Jill F. Lundell

Tuning parameters is an important step for the application of metaheuristics to problem classes of interest. In this work we present a tuning framework based on the sequential optimization of perturbed regression models. Besides providing…

Neural and Evolutionary Computing · Computer Science 2019-12-02 Áthila R. Trindade , Felipe Campelo

Stochastic simulators are increasingly used to expand the frontier of scientific knowledge and inform decision-making across real-world contexts. Simulator calibration, a process by which internal model inputs are tuned to match some…

Computation · Statistics 2026-05-25 David O'Gara , Arindam Fadikar , Mickaël Binois , Nicholson Collier , Jonathan Ozik

Models trained on data composed of different groups or domains can suffer from severe performance degradation under distribution shifts. While recent methods have largely focused on optimizing the worst-group objective, this often comes at…

Machine Learning · Computer Science 2024-06-06 Hoang Phan , Andrew Gordon Wilson , Qi Lei
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