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Molecular optimization, which aims to discover improved molecules from a vast chemical search space, is a critical step in chemical development. Various artificial intelligence technologies have demonstrated high effectiveness and…

Chemical Physics · Physics 2024-11-26 Xin Xia , Yajie Zhang , Xiangxiang Zeng , Xingyi Zhang , Chunhou Zheng , Yansen Su

Hyperparameter optimization (HPO) is a necessary step to ensure the best possible performance of Machine Learning (ML) algorithms. Several methods have been developed to perform HPO; most of these are focused on optimizing one performance…

Machine Learning · Computer Science 2022-11-16 Alejandro Morales-Hernández , Inneke Van Nieuwenhuyse , Sebastian Rojas Gonzalez

It has been well documented that the use of exponentially-averaged momentum (EM) in particle swarm optimization (PSO) is advantageous over the vanilla PSO algorithm. In the single-objective setting, it leads to faster convergence and…

Neural and Evolutionary Computing · Computer Science 2022-11-15 Anwesh Bhattacharya , Snehanshu Saha , Nithin Nagaraj

Swarm intelligence algorithms have traditionally been designed for continuous optimization problems, and these algorithms have been modified and extended for application to discrete optimization problems. Notably, their application in…

Neural and Evolutionary Computing · Computer Science 2024-03-29 Hayata Saitou , Harumi Haraguchi

Epidemiological models have tremendous potential to forecast disease burden and quantify the impact of interventions. Detailed models are increasingly popular, however these models tend to be stochastic and very costly to evaluate.…

Quantitative Methods · Quantitative Biology 2017-08-04 Atiye Alaeddini , Daniel J. Klein

Convolved Gaussian Process (CGP) is able to capture the correlations not only between inputs and outputs but also among the outputs. This allows a superior performance of using CGP than standard Gaussian Process (GP) in the modelling of…

Neural and Evolutionary Computing · Computer Science 2017-09-14 Gang Cao , Edmund M-K Lai , Fakhrul Alam

Many real-world phenomena can be modelled as dynamic optimization problems. In such cases, the environment problem changes dynamically and therefore, conventional methods are not capable of dealing with such problems. In this paper, a novel…

Artificial Intelligence · Computer Science 2013-08-01 Somayeh Nabizadeh , Alireza Rezvanian , Mohammad Reza Meybodi

In this work, the Particle Swarm Optimization (PSO) algorithm has been used to train various Variational Quantum Circuits (VQCs). This approach is motivated by the fact that commonly used gradient-based optimization methods can suffer from…

Quantum Physics · Physics 2025-09-22 Marco Mordacci , Michele Amoretti

Designing optimizers that remain effective under tight evaluation budgets is critical in expensive black-box settings such as cardiac digital twinning. We propose Frenetic Cat-inspired Particle Optimization (FCPO), a hybrid swarm method…

Neural and Evolutionary Computing · Computer Science 2026-04-20 Jorge Sánchez , Guadalupe García-Isla , Sandra Perez-Herrero , Beatriz Trenor , Javier Saiz

In this paper, a swarm intelligence optimization algorithm is proposed as the Shrike Optimization Algorithm (SHOA). Many creatures living in a group and surviving for the next generation randomly search for food; they follow the best one in…

Neural and Evolutionary Computing · Computer Science 2024-07-10 Hanan K. AbdulKarim , Tarik A. Rashid

Chemical process optimization and control are affected by 1) plant-model mismatch, 2) process disturbances, and 3) constraints for safe operation. Reinforcement learning by policy optimization would be a natural way to solve this due to its…

This paper presents evolutionary methods for optimization in dynamic mobile robot path planning. In dynamic mobile path planning, the goal is to find an optimal feasible path from starting point to target point with various obstacles, as…

Robotics · Computer Science 2019-02-12 Masoud Fetanat , Sajjad Haghzad , Saeed Bagheri Shouraki

Three different variations of PSO algorithms, i.e. Canonical, Gaussian Bare-bone and L\'evy Bare-bone PSO, are tested to optimize the ultimate oil recovery of a large heavy oil reservoir. The performance of these algorithms was compared in…

Computational Engineering, Finance, and Science · Computer Science 2013-06-19 Xiaolin Wang , Xun Qiu

This paper proposes a novel Extended Particle Swarm Optimization model (EPSO) that potentially enhances the search process of PSO for optimization problem. Evidently, gene expression profiles are significantly important measurement factor…

Neural and Evolutionary Computing · Computer Science 2020-08-11 Ali Hakem Alsaeedi , Adil L. Albukhnefis , Dhiah Al-Shammary , Muntasir Al-Asfoor

Swarm Intelligence-based optimization techniques combine systematic exploration of the search space with information available from neighbors and rely strongly on communication among agents. These algorithms are typically employed to solve…

Neural and Evolutionary Computing · Computer Science 2022-08-03 Vipul Mann , Abhishek Sivaram , Laya Das , Venkat Venkatasubramanian

The range of applications of traditional optimization methods are limited by the features of the object variables, and of both the objective and the constraint functions. In contrast, population-based algorithms whose optimization…

Neural and Evolutionary Computing · Computer Science 2021-01-27 Mauro S. Innocente , Johann Sienz

Our topic is performance differences between using random and chaos for particle swarm optimization (PSO). We take random sequences with different probability distributions and compare them to chaotic sequences with different but also with…

Physics and Society · Physics 2023-11-07 Paul Moritz Nörenberg , Hendrik Richter

We provide brief notes on a particle swarm-optimisation approach to constraining the properties of a stochastic gravitational-wave background in the first International Pulsar Timing Array data-challenge. The technique employs many…

Instrumentation and Methods for Astrophysics · Physics 2012-10-15 Stephen R. Taylor , Jonathan R. Gair , L. Lentati

Molecular generation, an essential method for identifying new drug structures, has been supported by advancements in machine learning and computational technology. However, challenges remain in multi-objective generation, model…

Biomolecules · Quantitative Biology 2024-04-11 Ningfeng Liu , Jie Yu , Siyu Xiu , Xinfang Zhao , Siyu Lin , Bo Qiang , Ruqiu Zheng , Hongwei Jin , Liangren Zhang , Zhenming Liu

This paper analyses of a stochastic model of a chemical reaction network with three types of chemical species ${\cal R}$, ${\cal M}$ and ${\cal U}$ that interact to transform a flow of external resources, the chemical species ${\cal Q}$, to…

Probability · Mathematics 2025-12-01 Vincent Fromion , Philippe Robert , Jana Zaherddine
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