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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

The overall aim of the software industry is to ensure delivery of high quality software to the end user. To ensure high quality software, it is required to test software. Testing ensures that software meets user specifications and…

Software Engineering · Computer Science 2014-11-06 Chayanika Sharma , Sangeeta Sabharwal , Ritu Sibal

Most evolutionary algorithms (EAs) used in practice employ crossover. In contrast, only for few and mostly artificial examples a runtime advantage from crossover could be proven with mathematical means. The most convincing such result shows…

Neural and Evolutionary Computing · Computer Science 2023-02-27 Benjamin Doerr , Aymen Echarghaoui , Mohammed Jamal , Martin S. Krejca

Recently, researchers have applied genetic algorithms (GAs) to address some problems in quantum computation. Also, there has been some works in the designing of genetic algorithms based on quantum theoretical concepts and techniques. The so…

Neural and Evolutionary Computing · Computer Science 2007-05-23 Gilson A. Giraldi , Renato Portugal , Ricardo N. Thess

We propose a genetic algorithm (GA) for hyperparameter optimization of artificial neural networks which includes chromosomal crossover as well as a decoupling of parameters (i.e., weights and biases) from hyperparameters (e.g., learning…

Neural and Evolutionary Computing · Computer Science 2019-01-15 Aaron Vose , Jacob Balma , Alex Heye , Alessandro Rigazzi , Charles Siegel , Diana Moise , Benjamin Robbins , Rangan Sukumar

Population diversity is essential for avoiding premature convergence in Genetic Algorithms (GAs) and for the effective use of crossover. Yet the dynamics of how diversity emerges in populations are not well understood. We use rigorous…

Neural and Evolutionary Computing · Computer Science 2016-08-11 Duc-Cuong Dang , Tobias Friedrich , Timo Kötzing , Martin S. Krejca , Per Kristian Lehre , Pietro S. Oliveto , Dirk Sudholt , Andrew M. Sutton

This paper proposes Genetic Algorithm with Border Trades (GAB), a novel modification of the standard genetic algorithm that enhances exploration by incorporating new chromosome patterns in the breeding process. This approach significantly…

Machine Learning · Computer Science 2025-06-27 Qingchuan Lyu

With neural networks having demonstrated their versatility and benefits, the need for their optimal performance is as prevalent as ever. A defining characteristic, hyperparameters, can greatly affect its performance. Thus engineers go…

Neural and Evolutionary Computing · Computer Science 2020-09-21 Keshav Ganapathy

We recently reported that the simple genetic algorithm (SGA) is capable of performing a remarkable form of sublinear computation which has a straightforward connection with the general problem of interacting attributes in data-mining. In…

Neural and Evolutionary Computing · Computer Science 2009-05-18 Keki M. Burjorjee

In this paper, we propose an interactive genetic algorithm for solving multi-objective combinatorial optimization problems under preference imprecision. More precisely, we consider problems where the decision maker's preferences over…

Artificial Intelligence · Computer Science 2023-11-13 Nawal Benabbou , Cassandre Leroy , Thibaut Lust

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

The performance of most evolutionary metaheuristic algorithms relays on various operatives. One of them is the crossover operator, which is divided into two types: application dependent and application independent crossover operators. These…

Neural and Evolutionary Computing · Computer Science 2022-05-17 Aso M. Aladdin , Tarik A. Rashid

In this paper we propose the first genetic algorithm (GA)-based solver for jigsaw puzzles of unknown puzzle dimensions and unknown piece location and orientation. Our solver uses a novel crossover technique, and sets a new state-of-the-art…

Computer Vision and Pattern Recognition · Computer Science 2017-11-21 Dror Sholomon , Eli David , Nathan S. Netanyahu

Neuroevolution has recently been shown to be quite competitive in reinforcement learning (RL) settings, and is able to alleviate some of the drawbacks of gradient-based approaches. This paper will focus on applying neuroevolution using a…

Neural and Evolutionary Computing · Computer Science 2022-01-20 Tarek Faycal , Claudio Zito

A genetic algorithm is suitable for exploring large search spaces as it finds an approximate solution. Because of this advantage, genetic algorithm is effective in exploring vast and unknown space such as molecular search space. Though the…

Neural and Evolutionary Computing · Computer Science 2021-12-24 Yurim Lee , Gydam Choi , Minsung Yoon , Cheongwon Kim

In recent years, machine learning has seen an increasing presencein a large variety of fields, especially in health care and bioinformatics.More specifically, the field where machine learning algorithms have found most applications is…

Neural and Evolutionary Computing · Computer Science 2020-08-21 Mekaal Swerhun , Jasmine Foley , Brandon Massop , Vijay Mago

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…

Neural and Evolutionary Computing · Computer Science 2026-01-05 Alireza Rezaee

Mutation is one of the most important stages of the genetic algorithm because of its impact on the exploration of global optima, and to overcome premature convergence. There are many types of mutation, and the problem lies in selection of…

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

This paper presents our computational methodology using Genetic Algorithms (GA) for exploring the nature of RNA editing. These models are constructed using several genetic editing characteristics that are gleaned from the RNA editing system…

Neural and Evolutionary Computing · Computer Science 2007-05-23 C. Huang , L. M. Rocha