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Gaussian process regression has recently emerged as a powerful, system-agnostic tool for building global potential energy surfaces (PES) of polyatomic molecules. While the accuracy of GP models of PES increases with the number of potential…

Chemical Physics · Physics 2019-07-23 Jun Dai , Roman V. Krems

We present a fast and accurate method to select an optimal set of parameters in semi-analytic models of galaxy formation and evolution (SAMs). Our approach compares the results of a model against a set of observables applying a stochastic…

Model merging has emerged as an efficient strategy for constructing multitask models by integrating the strengths of multiple available expert models, thereby reducing the need to fine-tune a pre-trained model for all the tasks from…

Machine Learning · Computer Science 2025-08-28 Kehao Zhang , Shaolei Zhang , Yang Feng

This paper proposes the application of particle swarm optimization (PSO) to the problem of finite element model (FEM) selection. This problem arises when a choice of the best model for a system has to be made from set of competing models,…

Artificial Intelligence · Computer Science 2009-10-13 Linda Mthembu , Tshilidzi Marwala , Michael I. Friswell , Sondipon Adhikari

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…

We propose masked particle modeling (MPM) as a self-supervised method for learning generic, transferable, and reusable representations on unordered sets of inputs for use in high energy physics (HEP) scientific data. This work provides a…

High Energy Physics - Phenomenology · Physics 2024-07-12 Tobias Golling , Lukas Heinrich , Michael Kagan , Samuel Klein , Matthew Leigh , Margarita Osadchy , John Andrew Raine

Built upon the decision tree (DT) classification and regression idea, the subspace learning machine (SLM) has been recently proposed to offer higher performance in general classification and regression tasks. Its performance improvement is…

Machine Learning · Computer Science 2022-08-16 Hongyu Fu , Yijing Yang , Yuhuai Liu , Joseph Lin , Ethan Harrison , Vinod K. Mishra , C. -C. Jay Kuo

This article introduces an enhanced particle swarm optimizer (PSO), termed Orthogonal PSO with Mutation (OPSO-m). Initially, it proposes an orthogonal array-based learning approach to cultivate an improved initial swarm for PSO,…

Neural and Evolutionary Computing · Computer Science 2024-05-22 Indu Bala , Dikshit Chauhan , Lewis Mitchell

General purpose optimization routines such as nlminb, optim (R) or nlmixed (SAS) are frequently used to estimate model parameters in nonstandard distributions. This paper presents Particle Swarm Optimization (PSO), as an alternative to many…

Machine Learning · Statistics 2024-05-22 Sisi Shao , Junhyung Park , Weng Kee Wong

Particle swarm optimisation is a metaheuristic algorithm which finds reasonable solutions in a wide range of applied problems if suitable parameters are used. We study the properties of the algorithm in the framework of random dynamical…

Neural and Evolutionary Computing · Computer Science 2015-11-20 J. Michael Herrmann , Adam Erskine , Thomas Joyce

Generality is one of the main advantages of heuristic algorithms, as such, multiple parameters are exposed to the user with the objective of allowing them to shape the algorithms to their specific needs. Parameter selection, therefore,…

Neural and Evolutionary Computing · Computer Science 2017-05-22 Carlos Garcia Cordero

Particle Swarm Optimization (PSO) is a metaheuristic global optimization paradigm that has gained prominence in the last two decades due to its ease of application in unsupervised, complex multidimensional problems which cannot be solved…

Neural and Evolutionary Computing · Computer Science 2019-01-07 Saptarshi Sengupta , Sanchita Basak , Richard Alan Peters

Evolutionary optimization algorithms, including particle swarm optimization (PSO), have been successfully applied in oil industry for production planning and control. Such optimization studies are quite challenging due to large number of…

Neural and Evolutionary Computing · Computer Science 2021-06-03 Ajitabh Kumar

Acquiring a substantial number of data points for training accurate machine learning (ML) models is a big challenge in scientific fields where data collection is resource-intensive. Here, we propose a novel approach for constructing a…

Machine Learning · Computer Science 2025-05-07 M. R. Mahani , Igor A. Nechepurenko , Yasmin Rahimof , Andreas Wicht

In this study we address existing deficiencies in the literature on applications of Particle Swarm Optimization to generate optimal designs. We present the results of a large computer study in which we bench-mark both efficiency and…

Neural and Evolutionary Computing · Computer Science 2022-06-15 Stephen J. Walsh , John J. Borkowski

The performance of any Machine Learning (ML) algorithm is impacted by the choice of its hyperparameters. As training and evaluating a ML algorithm is usually expensive, the hyperparameter optimization (HPO) method needs to be…

Machine Learning · Computer Science 2022-09-12 Alejandro Morales-Hernández , Inneke Van Nieuwenhuyse , Gonzalo Nápoles

The aim of paper is to apply two types of particle swarm optimization, global best andlocal best PSO to a constrained maximum likelihood estimation problem in pseudotime anal-ysis, a sub-field in bioinformatics. The results have shown that…

Neural and Evolutionary Computing · Computer Science 2022-10-04 Elvis Cui , Dongyuan Song , Weng Kee Wong

Sequential robot manipulation tasks require finding collision-free trajectories that satisfy geometric constraints across multiple object interactions in potentially high-dimensional configuration spaces. Solving these problems in real-time…

Robotics · Computer Science 2025-10-14 Lucas Chen , Shrutheesh Raman Iyer , Zachary Kingston

Nature has long inspired the development of swarm intelligence (SI), a key branch of artificial intelligence that models collective behaviors observed in biological systems for solving complex optimization problems. Particle swarm…

Neural and Evolutionary Computing · Computer Science 2025-11-18 Dikshit Chauhan , Shivani , P. N. Suganthan

Novel applications of artificial intelligence for tuning the parameters of industrial machines for optimal performance are emerging at a fast pace. Tuning the combine harvesters and improving the machine performance can dramatically…

Signal Processing · Electrical Eng. & Systems 2020-02-26 Laszlo Nadai , Felde Imre , Sina Ardabili , Tarahom Mesri Gundoshmian , Pinter Gergo , Amir Mosavi