Crystal Structure Prediction Using Neural Network Potential And Age Fitness Pareto Genetic Algorithm

Author : Sadman Sadeed Omee
Publisher : OAE Publishing Inc.
ISBN 13 :
Total Pages : 24 pages
Book Rating : 4./5 ( download)

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Download or read book Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm written by Sadman Sadeed Omee and published by OAE Publishing Inc.. This book was released on 2024-03-02 with total page 24 pages. Available in PDF, EPUB and Kindle. Book excerpt: While crystal structure prediction (CSP) remains a longstanding challenge, we introduce ParetoCSP, a novel algorithm for CSP, which combines a multi-objective genetic algorithm (GA) with a neural network inter-atomic potential model to find energetically optimal crystal structures given chemical compositions. We enhance the updated multi-objective GA (NSGA-III) by incorporating the genotypic age as an independent optimization criterion and employ the M3GNet universal inter-atomic potential to guide the GA search. Compared to GN-OA, a state-of-the-art neural potential-based CSP algorithm, ParetoCSP demonstrated significantly better predictive capabilities, outperforming by a factor of 2.562 across 55 diverse benchmark structures, as evaluated by seven performance metrics. Trajectory analysis of the traversed structures of all algorithms shows that ParetoCSP generated more valid structures than other algorithms, which helped guide the GA to search more effectively for the optimal structures. Our implementation code is available at https://github.com/sadmanomee/ParetoCSP.

Author : David Edward Goldberg
Publisher : Addison-Wesley Professional
ISBN 13 :
Total Pages : 436 pages
Book Rating : 4.34/5 ( download)

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Download or read book Genetic Algorithms in Search, Optimization, and Machine Learning written by David Edward Goldberg and published by Addison-Wesley Professional. This book was released on 1989 with total page 436 pages. Available in PDF, EPUB and Kindle. Book excerpt: A gentle introduction to genetic algorithms. Genetic algorithms revisited: mathematical foundations. Computer implementation of a genetic algorithm. Some applications of genetic algorithms. Advanced operators and techniques in genetic search. Introduction to genetics-based machine learning. Applications of genetics-based machine learning. A look back, a glance ahead. A review of combinatorics and elementary probability. Pascal with random number generation for fortran, basic, and cobol programmers. A simple genetic algorithm (SGA) in pascal. A simple classifier system(SCS) in pascal. Partition coefficient transforms for problem-coding analysis.

Author : David A. Coley
Publisher : World Scientific
ISBN 13 : 9789810236021
Total Pages : 248 pages
Book Rating : 4.26/5 ( download)

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Download or read book An Introduction to Genetic Algorithms for Scientists and Engineers written by David A. Coley and published by World Scientific. This book was released on 1999 with total page 248 pages. Available in PDF, EPUB and Kindle. Book excerpt: This invaluable book has been designed to be useful to most practising scientists and engineers, whatever their field and however rusty their mathematics and programming might be. The approach taken is largely practical, with algorithms being presented in full and working code (in BASIC, FORTRAN, PASCAL AND C) included on a floppy disk to help the reader get up and running as quickly as possible. The text could also be used as part of an undergraduate course on search and optimisation. Student exercises are included at the end of several of the chapters, many of which are computer-based and designed to encourage exploration of the method.

Author : Yahya Rahmat-Samii
Publisher : Wiley-Interscience
ISBN 13 :
Total Pages : 522 pages
Book Rating : 4.92/5 ( download)

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Download or read book Electromagnetic Optimization by Genetic Algorithms written by Yahya Rahmat-Samii and published by Wiley-Interscience. This book was released on 1999-07-23 with total page 522 pages. Available in PDF, EPUB and Kindle. Book excerpt: Authoritative coverage of a revolutionary technique for overcoming problems in electromagnetic design Genetic algorithms are stochastic search procedures modeled on the Darwinian concepts of natural selection and evolution. The machinery of genetic algorithms utilizes an optimization methodology that allows a global search of the cost surface via statistical random processes dictated by the Darwinian evolutionary concept. These easily programmed and readily implemented procedures robustly locate extrema of highly multimodal functions and therefore are particularly well suited to finding solutions to a broad range of electromagnetic optimization problems. Electromagnetic Optimization by Genetic Algorithms is the first book devoted exclusively to the application of genetic algorithms to electromagnetic device design. Compiled by two highly competent and well-respected members of the electromagnetics community, this book describes numerous applications of genetic algorithms to the design and optimization of various low- and high-frequency electromagnetic components. Special features include: * Introduction by David E. Goldberg, "A Meditation on the Application of Genetic Algorithms" * Design of linear and planar arrays using genetic algorithms * Application of genetic algorithms to the design of broadband, wire, and integrated antennas * Genetic algorithm-driven design of dielectric gratings and frequency-selective surfaces * Synthesis of magnetostatic devices using genetic algorithms * Application of genetic algorithms to multiobjective electromagnetic backscattering optimization * A comprehensive list of the up-to-date references applicable to electromagnetic design problems Supplemented with more than 250 illustrations, Electromagnetic Optimization by Genetic Algorithms is a powerful resource for electrical engineers interested in modern electromagnetic designs and an indispensable reference for university researchers.

Author : S.N. Sivanandam
Publisher : Springer Science & Business Media
ISBN 13 : 3540731903
Total Pages : 453 pages
Book Rating : 4.00/5 ( download)

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Download or read book Introduction to Genetic Algorithms written by S.N. Sivanandam and published by Springer Science & Business Media. This book was released on 2007-10-24 with total page 453 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book offers a basic introduction to genetic algorithms. It provides a detailed explanation of genetic algorithm concepts and examines numerous genetic algorithm optimization problems. In addition, the book presents implementation of optimization problems using C and C++ as well as simulated solutions for genetic algorithm problems using MATLAB 7.0. It also includes application case studies on genetic algorithms in emerging fields.

Author : Marco Dorigo
Publisher : MIT Press
ISBN 13 : 9780262042192
Total Pages : 324 pages
Book Rating : 4.93/5 ( download)

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Download or read book Ant Colony Optimization written by Marco Dorigo and published by MIT Press. This book was released on 2004-06-04 with total page 324 pages. Available in PDF, EPUB and Kindle. Book excerpt: An overview of the rapidly growing field of ant colony optimization that describes theoretical findings, the major algorithms, and current applications. The complex social behaviors of ants have been much studied by science, and computer scientists are now finding that these behavior patterns can provide models for solving difficult combinatorial optimization problems. The attempt to develop algorithms inspired by one aspect of ant behavior, the ability to find what computer scientists would call shortest paths, has become the field of ant colony optimization (ACO), the most successful and widely recognized algorithmic technique based on ant behavior. This book presents an overview of this rapidly growing field, from its theoretical inception to practical applications, including descriptions of many available ACO algorithms and their uses. The book first describes the translation of observed ant behavior into working optimization algorithms. The ant colony metaheuristic is then introduced and viewed in the general context of combinatorial optimization. This is followed by a detailed description and guide to all major ACO algorithms and a report on current theoretical findings. The book surveys ACO applications now in use, including routing, assignment, scheduling, subset, machine learning, and bioinformatics problems. AntNet, an ACO algorithm designed for the network routing problem, is described in detail. The authors conclude by summarizing the progress in the field and outlining future research directions. Each chapter ends with bibliographic material, bullet points setting out important ideas covered in the chapter, and exercises. Ant Colony Optimization will be of interest to academic and industry researchers, graduate students, and practitioners who wish to learn how to implement ACO algorithms.

Author : Aboul-Ella Hassanien
Publisher : Springer
ISBN 13 : 3540768270
Total Pages : 538 pages
Book Rating : 4.72/5 ( download)

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Download or read book Computational Intelligence in Multimedia Processing: Recent Advances written by Aboul-Ella Hassanien and published by Springer. This book was released on 2008-04-23 with total page 538 pages. Available in PDF, EPUB and Kindle. Book excerpt: In recent decades Multimedia processing has emerged as an important technology to generate content based on images, video, audio, graphics, and text. This book is a compilation of the latest trends and developments in the field of computational intelligence in multimedia processing. The edited book presents a large number of interesting applications to intelligent multimedia processing of various Computational Intelligence techniques including neural networks and fuzzy logic.

Author : Frank Jensen
Publisher : John Wiley & Sons
ISBN 13 : 1118825950
Total Pages : 664 pages
Book Rating : 4.52/5 ( download)

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Download or read book Introduction to Computational Chemistry written by Frank Jensen and published by John Wiley & Sons. This book was released on 2016-12-14 with total page 664 pages. Available in PDF, EPUB and Kindle. Book excerpt: Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics: Polarizable force fields Tight-binding DFT More extensive DFT functionals, excited states and time dependent molecular properties Accelerated Molecular Dynamics methods Tensor decomposition methods Cluster analysis Reduced scaling and reduced prefactor methods Additional information is available at: www.wiley.com/go/jensen/computationalchemistry3

Author : Warren B. Powell
Publisher : John Wiley & Sons
ISBN 13 : 1118309847
Total Pages : 416 pages
Book Rating : 4.41/5 ( download)

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Download or read book Optimal Learning written by Warren B. Powell and published by John Wiley & Sons. This book was released on 2013-07-09 with total page 416 pages. Available in PDF, EPUB and Kindle. Book excerpt: Learn the science of collecting information to make effective decisions Everyday decisions are made without the benefit of accurate information. Optimal Learning develops the needed principles for gathering information to make decisions, especially when collecting information is time-consuming and expensive. Designed for readers with an elementary background in probability and statistics, the book presents effective and practical policies illustrated in a wide range of applications, from energy, homeland security, and transportation to engineering, health, and business. This book covers the fundamental dimensions of a learning problem and presents a simple method for testing and comparing policies for learning. Special attention is given to the knowledge gradient policy and its use with a wide range of belief models, including lookup table and parametric and for online and offline problems. Three sections develop ideas with increasing levels of sophistication: Fundamentals explores fundamental topics, including adaptive learning, ranking and selection, the knowledge gradient, and bandit problems Extensions and Applications features coverage of linear belief models, subset selection models, scalar function optimization, optimal bidding, and stopping problems Advanced Topics explores complex methods including simulation optimization, active learning in mathematical programming, and optimal continuous measurements Each chapter identifies a specific learning problem, presents the related, practical algorithms for implementation, and concludes with numerous exercises. A related website features additional applications and downloadable software, including MATLAB and the Optimal Learning Calculator, a spreadsheet-based package that provides an introduction to learning and a variety of policies for learning.

Author : Giuseppe Nicosia
Publisher : Springer Nature
ISBN 13 : 3030375994
Total Pages : 798 pages
Book Rating : 4.97/5 ( download)

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Download or read book Machine Learning, Optimization, and Data Science written by Giuseppe Nicosia and published by Springer Nature. This book was released on 2020-01-03 with total page 798 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book constitutes the post-conference proceedings of the 5th International Conference on Machine Learning, Optimization, and Data Science, LOD 2019, held in Siena, Italy, in September 2019. The 54 full papers presented were carefully reviewed and selected from 158 submissions. The papers cover topics in the field of machine learning, artificial intelligence, reinforcement learning, computational optimization and data science presenting a substantial array of ideas, technologies, algorithms, methods and applications.