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Search · four archives
24 papers · ranked by Valyu relevance
Pavel Trojovský, Mohammad Dehghani, Szymon Łukasik, Mikołaj Leszczuk + 1 more
'Szymon Szott'] Optimization is an important and fundamental challenge to solve optimization problems in different scientific disciplines. In this paper, a new stochastic nature-inspired optimization algorithm called Pelican Optimization Algorithm (POA) is introduced. The main idea in designing the proposed POA is…
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…
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…
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…
Mohammad Dehghani, Štěpán Hubálovský, Pavel Trojovský, Lalit Garg
In this paper, a novel evolutionary-based method, called Average and Subtraction-Based Optimizer (ASBO), is presented to attain suitable quasi-optimal solutions for various optimization problems. The core idea in the design of the ASBO is to use the average information and the subtraction of the best and worst…
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…
Brindha Subburaj, J. Uma Maheswari, S. P. Syed Ibrahim, Muthu Subash Kavitha
'Muthu Subash Kavitha'] The objective measurements of the real-world optimization problems are mostly subject to noise which occurs due to several reasons like human measurement or environmental factors. The performance of the optimization algorithm gets affected if the effect of noise is higher than the negligible…
Brianna Greenstein, Danielle Elsey, Geoffrey Hutchison
Genetic algorithms (GAs) are a powerful tool to search large chemical spaces for inverse molecular design. However, GAs have multiple hyperparameters that have not been thoroughly investigated for chemical space searches. In this work, we examine the general effects of a number of hyperparameters, such as population…
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…
Lucas Ângelo da Silveira, Thaynara Arielly de Lima, Maurício Ayala-Rincón
'Maurício Ayala-Rincón'] Abstract—Heterogeneous Parallel Island Models (HePIMs) run different bio-inspired algorithms (BAs) in their islands. From a variety of communication topologies and migration policies finetuned for homogeneous PIMs (HoPIMs), which run the same BA in all their islands, previous work introduced…
Shatendra Singh, Aruna Tiwari
Most of the real-world problems are multimodal in nature that consists of multiple optimum values. Multimodal optimization is defined as the process of finding multiple global and local optima (as opposed to a single solution) of a function. It enables a user to switch between different solutions as per the need while…
Robert Arbon, Yanchen Zhu, Antonia S. J. S. Mey
Markov state models (MSM) are a popular statistical method for analyzing the conformational dynamics of proteins, including protein folding. With all statistical and machine learning (ML) models choices must be made about the modeling pipeline that cannot be directly learned from the data. These choices, or…
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…
Panagiotis Aivaliotis-Apostolopoulos, Dimitrios Loukidis, Seyedali Mirjalili
'Seyedali Mirjalili'] Particle swarm optimization and genetic algorithms are two classes of popular heuristic algorithms that are frequently used for solving complex multi-dimensional mathematical optimization problems, each one with its one advantages and shortcomings. Particle swarm optimization is known to favor…
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…
Kosuke Hamazaki, Hiroyoshi Iwata, Koji Tsuda
Differentiable programming frameworks like PyTorch and JAX revolutionized biological modeling. A foremost merit is that multiple components programmed separately can be put together so that the parameters are jointly optimized. Despite its proven value in agricultural applications, existing breeding simulators are…
Alexander Lalejini, Emily Dolson, Anya E. Vostinar, Luis Zaman
Directed microbial evolution harnesses evolutionary processes in the laboratory to construct microorganisms with enhanced or novel functional traits. Attempting to direct evolutionary processes for applied goals is fundamental to evolutionary computation, which harnesses the principles of Darwinian evolution as a…
Ekaterina Noskova, Viacheslav Borovitskiy
Inference of demographic histories of species and populations is one of the central problems in population genetics. It is usually stated as an optimization problem: find a model’s parameters that maximize a certain log-likelihood. This log-likelihood is often expensive to evaluate in terms of time and hardware…
D. Tarunika, Ashish Sharma
Multi-objective optimization problems (MOPs) demand algorithms that effectively balance convergence, diversity, and computational efficiency. To address this challenge, a novel Multi-Objective Human Evolutionary Optimization Algorithm (MOHEOA) is proposed, inspired by the dynamics of human societal evolution. MOHEOA…
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…
Kangbien Park
Directed evolution of asexual populations is expected to offer a wide range of benefits to humanity. Achieving efficient directed evolution (DE) requires a quantitative formulation of the experimental methodologies—or logics—that can address potential challenges throughout the evolutionary process. In this article, I…
Piotr Kipiński, Hubert Guzowski, Aleksandra Urbańczyk, Maciej Smółka + 7 more
'Marek Kisiel‐Dorohinicki' 'Aleksander Byrski' 'Zuzana Komínková Oplatková' 'Roman Šenkeřík' 'Libor Pekař' 'Radek Matušů' 'František Gazdoš'] Abstract—Metaheuristics are universal optimization algorithms which should be used for solving difficult problems, unsolvable by classic approaches. In this paper we aim at…
Daniel J. Balick
Natural populations are virtually never observed in equilibrium, yet equilibrium approximations comprise the majority of our understanding of population genetics. Using standard tools from statistical physics, a formalism is presented that re-expresses the stochastic equations describing allelic evolution as a…