25 papers · ranked by Valyu relevance
Mohammad Dehghani, Eva Trojovská, Pavel Trojovský, Om Parkash Malik + 1 more
'Huiling Chen'] This study proposes the One-to-One-Based Optimizer (OOBO), a new optimization technique for solving optimization problems in various scientific areas. The key idea in designing the suggested OOBO is to effectively use the knowledge of all members in the process of updating the algorithm population while…
Min Peng, Wenlong Jing, Jianwei Yang, Gang Hu + 1 more
Many pivotal and knotty engineering problems in practical applications boil down to optimization problems, which are difficult to resolve using traditional mathematical optimization methods. Metaheuristics are efficient algorithms for solving complex optimization problems while keeping computational costs reasonable.…
Marco Baioletti, Valentino Santucci, Marco Tomassini
During the last decades many metaheuristics for global numerical optimization have been proposed. Among them, Basin Hopping is very simple and straightforward to implement, although rarely used outside its original Physical Chemistry community. In this work, our aim is to compare Basin Hopping, and two population…
Quan Tang, Yazhi Yang, Jing Liu, Andrea Murari
Complex multimodal optimization problems are widespread in machine learning, engineering design, and data science, where multiple local optima often trap conventional algorithms. Balancing global exploration and local exploitation remains a fundamental challenge for population-based optimization algorithms when solving…
Zoran Jakšić, Swagata Devi, Olga Jakšić, Koushik Guha + 3 more
The application of artificial intelligence in everyday life is becoming all-pervasive and unavoidable. Within that vast field, a special place belongs to biomimetic/bio-inspired algorithms for multiparameter optimization, which find their use in a large number of areas. Novel methods and advances are being published at…
J. C. Felix-Saul, Mario García-Valdez, Juan J. Merelo Guervós, Oscar Castillo + 1 more
'Oscar Castillo' 'Huiling Chen'] In this paper, we aim to enhance genetic algorithms (GAs) by integrating a dynamic model based on biological life cycles. This study addresses the challenge of maintaining diversity and adaptability in GAs by incorporating stages of birth, growth, reproduction, and death into the…
Fabricio Cravo, Matthias Függer, Thomas Nowak
Reliable detection of substances present at potentially low concentrations is a problem common to many biomedical applications. Complementary to well-established enzyme-, antibody-antigen-, and sequencing-based approaches, so-called microbial whole-cell sensors, i.e., synthetically engineered microbial cells that sense…
Prasad U. Bandodkar, Razeen R. Shaikh, Gregory T. Reeves
Model development is essential to gain a mathematical understanding of the underlying phenomena in systems biology. In most models, it is typically hard to estimate the values of the biophysical/phenomenological parameters that characterize the model. The parameters are estimated by minimizing a function that reduces a…
Yuyong Tan, Jianfeng Wang, Bin Wang, Yongquan Zhou
The intelligent optimization algorithm has become a key tool in complex and intertwined engineering and science fields. However, with the increasing complexity of the problem and the rapid expansion of the data scale, the performance of the algorithm has been challenged unprecedentedly. The artificial lemming algorithm…
Arkadiy Dushatskiy, Marco Virgolin, Anton Bouter, Dirk Thierens + 1 more
'Peter A. N. Bosman'] In this article, we present the latest version of, and propose substantial enhancements to, the Gene-pool Optimal Mixing Evoutionary Algorithm (GOMEA): an EA explicitly designed to estimate and exploit linkage information. We begin by performing a large-scale search over several GOMEA design…
Jonas Verhellen
Computer-assisted design of small molecules has experienced a resurgence in academic and indus- trial interest due to the widespread use of data-driven techniques such as deep generative models. While the ability to generate molecules that fulfill required chemical properties is encouraging, the use of deep learning…
Authors not listed
With the ever-increasing demand for atomistic structures representative of real-life systems as well as the ad-vent of exascale computers, it has now become necessary and possible to use advanced global optimization (GO) techniques to intelligently sample the potential energy surface (PES). Given the previous studies…
Imran Mahmood, Nicholas Bishop, Anisoara Calinescu, Michael Wooldridge + 1 more
hierarchical population synthesis Authors: ['Imran Mahmood' 'Nicholas Bishop' 'Anisoara Calinescu' 'Michael Wooldridge' 'Ioannis Zachos'] In agent-based simulations, synthetic populations of agents are commonly used to represent the structure, behaviour, and interactions of individuals. However, generating a synthetic…
Aso M. Aladdin, Tarik A. Rashid
Global optimization problems are frequently solved using the practical and efficient method of evolutionary sophistication. But as the original problem becomes more complex, so does its efficacy and expandability. Thus, the purpose of this research is to introduce the Lagrange Elementary Optimization (Leo) as an…
A. Ghodousian, Mahdi Mollakazemiha, N. Karimian
This paper proposes a novel population-based meta-heuristic optimization algorithm, called Perfectionism Search Algorithm (PSA), which is based on the psychological aspects of perfectionism. The PSA algorithm takes inspiration from one of the most popular model of perfectionism, which was proposed by Hewitt and Flett.…
Authors not listed
Quantum mechanics/molecular mechanics (QM/MM) simulations are crucial for understanding enzymatic reactions, but their accuracy depends heavily on the quantum-mechanical method used. Semiempirical methods offer computational efficiency but often struggle with accuracy in complex systems. This work presents a novel…
Renyun Liu, Ning Zhou, Yifei Yao, Fanhua Yu
The biologically inspired metaheuristic algorithm obtains the optimal solution by simulating the living habits or behavior characteristics of creatures in nature. It has been widely used in many fields. A new bio-inspired algorithm, Aphids Optimization Algorithm (AOA), is proposed in this paper. This algorithm…
Vasileios A. Tatsis, Dimos Ioannidis
The concept of parameter setting is a crucial and significant process in metaheuristics since it can majorly impact their performance. It is a highly complex and challenging procedure since it requires a deep understanding of the optimization algorithm and the optimization problem at hand. In recent years, the upcoming…
Authors not listed
Finding the most stable adsorption geometry of a flexible molecule on a catalytic surface remains a key challenge due to the high dimensionality and ruggedness of the potential energy surface. We present a Gradient-Enhanced Genetic Algorithm (GE-GA) for the global optimization of adsorbate–surface configurations…
Alireza Rezaee
This paper presents a genetic algorithm (GA) approach to cost-optimal task scheduling in a production line. The system consists of a set of serial processing tasks, each with a given duration, unit execution cost, and precedence constraints, which must be assigned to an unlimited number of stations subject to a…
Lillian T. Tatka, Lucian P. Smith, Herbert M. Sauro
Evolutionary algorithms, a class of optimization techniques inspired by biological evolution, have emerged as powerful tools for the optimization of complex systems, including the evolution of mass-action chemical reaction networks. This work explores the application of evolutionary algorithms in this domain…
Authors not listed
Machine olfaction—the artificial replication of the sense of smell—faces significant challenges due to the absence of large, standardized training datasets. Unlike vision, language, and audio models, which benefit from extensive corpora such as ImageNet, GLUE, and AudioSet, olfaction lacks scaled equivalents and…
Justin Villard, Murat Kılıç, Ursula Rothlisberger
Identification of the most stable structure(s) of a system is a prerequisite for the calculation of any of its properties from first-principles. However, even for relatively small molecules, exhaustive explorations of the potential energy surface (PES) are severely hampered by the dimensionality bottleneck. In this…
Daniel Gaissmaier, Matthias van den Borg, Donato Fantauzzi, Timo Jacob
In this work, we demonstrate the superior exploration capabilities of the population-based methods over the sequential one-parameter parabolic interpolation (SOPPI) approach to optimise ReaxFF force field parameters. Evolutionary algorithms (EAs) are heuristic-based approaches using a population of concurrent models in…
Ekaterina Noskova, Nikita Abramov, Stanislav Iliutkin, Anton Sidorin + 2 more
Inference of complex demographic histories is a source of information about events that happened in the past of studied populations. Existing methods for demographic inference typically require input from the researcher in the form of a parameterized model. With an increased variety of methods and tools, each with its…