Advances in the enumeration of foldable self-avoiding walks

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TitreAdvances in the enumeration of foldable self-avoiding walks
Type de publicationJournal Article
Year of Publication2020
AuteursGuyeux C, Charr J-C, Abdo JBou, Demerjian J
JournalINTERNATIONAL JOURNAL OF COMPUTATIONAL SCIENCE AND ENGINEERING
Volume22
Pagination365-375
Type of ArticleArticle
ISSN1742-7185
Mots-clésfoldable SAWs, genetic algorithm, prudent SAWs, self-avoiding walks
Résumé

Self-avoiding walks (SAWs) have been studied for a long time due to their intrinsic importance and the many application fields in which they operate. A new subset of SAWs, called foldable SAWs, has recently been discovered when investigating two different SAW manipulations embedded within existing protein structure prediction (PSP) software. Since then, several attempts have been made to find out more about these walks, including counting them. However, calculating the number of foldable SAWs appeared as a tough work, and current supercomputers fail to count foldable SAWs of length exceeding approximate to 30 steps. In this article, we present new progress in this enumeration, both theoretical (mathematics) and practical (computer science). A lower bound for the number of foldable SAWs is firstly proposed, by studying a special subset called prudent SAWs that is better known. The triangular and hexagonal lattices are then investigated for the first time, leading to new results about the enumeration of foldable SAWs on such lattices. Finally, a parallel genetic algorithm has been designed to discover new non-foldable SAWs of lengths approximate to 100 steps, and the results obtained with this algorithm are promising.

DOI10.1504/IJCSE.2020.109398