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Generating molecules, both in a directed and undirected fashion, is a huge part of the drug discovery pipeline. Genetic algorithms (GAs) generate molecules by randomly modifying known molecules. In this paper we show that GAs are very…

Neural and Evolutionary Computing · Computer Science 2023-10-16 Austin Tripp , José Miguel Hernández-Lobato

In information retrieval research; Genetic Algorithms (GA) can be used to find global solutions in many difficult problems. This study used different similarity measures (Dice, Inner Product) in the VSM, for each similarity measure we…

Information Retrieval · Computer Science 2013-12-03 Eman Al Mashagba , Feras Al Mashagba , Mohammad Othman Nassar

We consider the optimization problem of constructing a binary orthogonal array (OA) starting from a bigger one, by removing a specified amount of lines. In particular, we develop a genetic algorithm (GA) where the underlying chromosomes are…

Neural and Evolutionary Computing · Computer Science 2021-11-29 Luca Mariot

We discuss a novel genetic algorithm that can be used to find global minima on the potential energy surface of disordered ceramics and alloys using a real-space symmetry adapted crossover. Due to a high number of symmetrically equivalent…

Materials Science · Physics 2011-05-31 Chris E. Mohn , Svein Stølen , Walter Kob

This paper presents a new type of genetic algorithm for the set covering problem. It differs from previous evolutionary approaches first because it is an indirect algorithm, i.e. the actual solutions are found by an external decoder…

Neural and Evolutionary Computing · Computer Science 2010-07-05 Uwe Aickelin

This paper describes the software implementation of genetic algorithm for identifying and selecting most relevant results received during sequentially executed subject search operations. Simulated evolutionary process generates sustainable…

Information Retrieval · Computer Science 2015-04-17 V. K. Ivanov , P. I. Meskin

The genetic algorithm is an optimization procedure motivated by biological evolution and is successfully applied to optimization problems in different areas. A statistical mechanics model for its dynamics is proposed based on the…

Statistical Mechanics · Physics 2009-10-31 Stefan Bornholdt

Molecular discovery has brought great benefits to the chemical industry. Various molecule design techniques are developed to identify molecules with desirable properties. Traditional optimization methods, such as genetic algorithms,…

Biomolecules · Quantitative Biology 2025-11-05 Chris Zhuang , Debadyuti Mukherjee , Yingzhou Lu , Tianfan Fu , Ruqi Zhang

When a Genetic Algorithm (GA), or a stochastic algorithm in general, is employed in a statistical problem, the obtained result is affected by both variability due to sampling, that refers to the fact that only a sample is observed, and…

Computation · Statistics 2019-03-07 Manuel Rizzo , Francesco Battaglia

Genetic Programming is an evolutionary algorithm that generates computer programs, or mathematical expressions, to solve complex problems. In this Guide, we demonstrate how to use Genetic Programming to develop surrogate models to mitigate…

Compact Genetic Algorithms (cGAs) are condensed variants of classical Genetic Algorithms (GAs) that use a probability vector representation of the population instead of the complete population. cGAs have been shown to significantly reduce…

Neural and Evolutionary Computing · Computer Science 2025-04-07 Prasanta Dutta , Anirban Mukhopadhyay

There is considerable interest in the use of genetic algorithms to solve problems arising in the areas of scheduling and timetabling. However, the classical genetic algorithm paradigm is not well equipped to handle the conflict between…

Neural and Evolutionary Computing · Computer Science 2010-07-05 Uwe Aickelin , Kathryn Dowsland

The design of quantum circuits is often still done manually, for instance by following certain patterns or rule of thumb. While this approach may work well for some problems, it can be a tedious task and present quite the challenge in other…

Quantum Physics · Physics 2023-05-11 Leo Sünkel , Darya Martyniuk , Denny Mattern , Johannes Jung , Adrian Paschke

Optimization problems frequently appear in any scientific domain. Most of the times, the corresponding decision problem turns out to be NP-hard, and in these cases genetic algorithms are often used to obtain approximated solutions. However,…

Neural and Evolutionary Computing · Computer Science 2024-02-02 Alba Muñoz , Fernando Rubio

Genetic Algorithms have established their capability for solving many complex optimization problems. Even as good solutions are produced, the user's understanding of a problem is not necessarily improved, which can lead to a lack of…

Neural and Evolutionary Computing · Computer Science 2024-07-10 GianCarlo Catalano , Alexander E. I. Brownlee , David Cairns , John McCall , Russell Ainslie

Niching enables a genetic algorithm (GA) to maintain diversity in a population. It is particularly useful when the problem has multiple optima where the aim is to find all or as many as possible of these optima. When the fitness landscape…

Neural and Evolutionary Computing · Computer Science 2007-05-23 K. Sastry , H. A. Abbass , D. E. Goldberg

Cell formation is a critical step in the design of cellular manufacturing systems. Recently, it was tackled using a cut-based-graph-partitioning model. This model meets real-life production systems requirements as it uses the actual amount…

Discrete Mathematics · Computer Science 2016-12-19 Boulif Menouar

In general frequent itemsets are generated from large data sets by applying association rule mining algorithms like Apriori, Partition, Pincer-Search, Incremental, Border algorithm etc., which take too much computer time to compute all the…

Databases · Computer Science 2010-11-02 Soumadip Ghosh , Sushanta Biswas , Debasree Sarkar , Partha Pratim Sarkar

We present a method of discovering governing differential equations from data without the need to specify a priori the terms to appear in the equation. The input to our method is a dataset (or ensemble of datasets) corresponding to a…

Computational Engineering, Finance, and Science · Computer Science 2019-11-12 Steven Atkinson , Waad Subber , Liping Wang , Genghis Khan , Philippe Hawi , Roger Ghanem

A genetic algorithm (GA) is a search method that optimises a population of solutions by simulating natural evolution. Good solutions reproduce together to create better candidates. The standard GA assumes that any two solutions can mate.…

Neural and Evolutionary Computing · Computer Science 2021-04-12 Aymeric Vie