Graph Representation Learning

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Publisher : Springer Nature
ISBN 13 : 3031015886
Total Pages : 141 pages
Book Rating : 4.0/5 (31 download)

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Book Synopsis Graph Representation Learning by : William L. William L. Hamilton

Download or read book Graph Representation Learning written by William L. William L. Hamilton and published by Springer Nature. This book was released on 2022-06-01 with total page 141 pages. Available in PDF, EPUB and Kindle. Book excerpt: Graph-structured data is ubiquitous throughout the natural and social sciences, from telecommunication networks to quantum chemistry. Building relational inductive biases into deep learning architectures is crucial for creating systems that can learn, reason, and generalize from this kind of data. Recent years have seen a surge in research on graph representation learning, including techniques for deep graph embeddings, generalizations of convolutional neural networks to graph-structured data, and neural message-passing approaches inspired by belief propagation. These advances in graph representation learning have led to new state-of-the-art results in numerous domains, including chemical synthesis, 3D vision, recommender systems, question answering, and social network analysis. This book provides a synthesis and overview of graph representation learning. It begins with a discussion of the goals of graph representation learning as well as key methodological foundations in graph theory and network analysis. Following this, the book introduces and reviews methods for learning node embeddings, including random-walk-based methods and applications to knowledge graphs. It then provides a technical synthesis and introduction to the highly successful graph neural network (GNN) formalism, which has become a dominant and fast-growing paradigm for deep learning with graph data. The book concludes with a synthesis of recent advancements in deep generative models for graphs—a nascent but quickly growing subset of graph representation learning.

Machine Learning Meets Quantum Physics

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Publisher : Springer Nature
ISBN 13 : 3030402452
Total Pages : 473 pages
Book Rating : 4.0/5 (34 download)

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Book Synopsis Machine Learning Meets Quantum Physics by : Kristof T. Schütt

Download or read book Machine Learning Meets Quantum Physics written by Kristof T. Schütt and published by Springer Nature. This book was released on 2020-06-03 with total page 473 pages. Available in PDF, EPUB and Kindle. Book excerpt: Designing molecules and materials with desired properties is an important prerequisite for advancing technology in our modern societies. This requires both the ability to calculate accurate microscopic properties, such as energies, forces and electrostatic multipoles of specific configurations, as well as efficient sampling of potential energy surfaces to obtain corresponding macroscopic properties. Tools that can provide this are accurate first-principles calculations rooted in quantum mechanics, and statistical mechanics, respectively. Unfortunately, they come at a high computational cost that prohibits calculations for large systems and long time-scales, thus presenting a severe bottleneck both for searching the vast chemical compound space and the stupendously many dynamical configurations that a molecule can assume. To overcome this challenge, recently there have been increased efforts to accelerate quantum simulations with machine learning (ML). This emerging interdisciplinary community encompasses chemists, material scientists, physicists, mathematicians and computer scientists, joining forces to contribute to the exciting hot topic of progressing machine learning and AI for molecules and materials. The book that has emerged from a series of workshops provides a snapshot of this rapidly developing field. It contains tutorial material explaining the relevant foundations needed in chemistry, physics as well as machine learning to give an easy starting point for interested readers. In addition, a number of research papers defining the current state-of-the-art are included. The book has five parts (Fundamentals, Incorporating Prior Knowledge, Deep Learning of Atomistic Representations, Atomistic Simulations and Discovery and Design), each prefaced by editorial commentary that puts the respective parts into a broader scientific context.

Explainable AI in Health Informatics

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Publisher : Springer Nature
ISBN 13 : 9819737052
Total Pages : 287 pages
Book Rating : 4.8/5 (197 download)

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Book Synopsis Explainable AI in Health Informatics by : Rajanikanth Aluvalu

Download or read book Explainable AI in Health Informatics written by Rajanikanth Aluvalu and published by Springer Nature. This book was released on with total page 287 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Scientific and Technical Aerospace Reports

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Publisher :
ISBN 13 :
Total Pages : 702 pages
Book Rating : 4.:/5 (31 download)

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Book Synopsis Scientific and Technical Aerospace Reports by :

Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 702 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Quantum Chemistry in the Age of Machine Learning

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Publisher : Elsevier
ISBN 13 : 0323886043
Total Pages : 702 pages
Book Rating : 4.3/5 (238 download)

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Book Synopsis Quantum Chemistry in the Age of Machine Learning by : Pavlo O. Dral

Download or read book Quantum Chemistry in the Age of Machine Learning written by Pavlo O. Dral and published by Elsevier. This book was released on 2022-09-16 with total page 702 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum chemistry is simulating atomistic systems according to the laws of quantum mechanics, and such simulations are essential for our understanding of the world and for technological progress. Machine learning revolutionizes quantum chemistry by increasing simulation speed and accuracy and obtaining new insights. However, for nonspecialists, learning about this vast field is a formidable challenge. Quantum Chemistry in the Age of Machine Learning covers this exciting field in detail, ranging from basic concepts to comprehensive methodological details to providing detailed codes and hands-on tutorials. Such an approach helps readers get a quick overview of existing techniques and provides an opportunity to learn the intricacies and inner workings of state-of-the-art methods. The book describes the underlying concepts of machine learning and quantum chemistry, machine learning potentials and learning of other quantum chemical properties, machine learning-improved quantum chemical methods, analysis of Big Data from simulations, and materials design with machine learning. Drawing on the expertise of a team of specialist contributors, this book serves as a valuable guide for both aspiring beginners and specialists in this exciting field. - Compiles advances of machine learning in quantum chemistry across different areas into a single resource - Provides insights into the underlying concepts of machine learning techniques that are relevant to quantum chemistry - Describes, in detail, the current state-of-the-art machine learning-based methods in quantum chemistry

Handbook of Molecular Descriptors

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Publisher : John Wiley & Sons
ISBN 13 : 3527613110
Total Pages : 688 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Handbook of Molecular Descriptors by : Roberto Todeschini

Download or read book Handbook of Molecular Descriptors written by Roberto Todeschini and published by John Wiley & Sons. This book was released on 2008-07-11 with total page 688 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantitative studies on structure-activity and structure-property relationships are powerful tools in directed drug research. In recent years, various strategies have been developed to characterize and classify structural patterns by means of molecular descriptors. It has become possible not only to assess diversities or similarities of structure databases, but molecular descriptors also facilitate the identification of potential bioactive molecules from the rapidly increasing number of compound libraries. They even allow for a controlled de-novo design of new lead structures. This is the most comprehensive collection of molecular descriptors and presents a detailed review from the origins of this research field up to present day. This practically oriented reference book gives a thorough overview of the different molecular descriptors representations and their corresponding molecular descriptors. All descriptors are listed with their definition, symbols and labels, formulas, some numerical examples, data and molecular graphs, while numerous figures and tables aid comprehension of the definitions. Cross-references throughout, a list of acronyms and notations allow easy access to the information needed to solve a specific research problem. Examples of descriptor calculations along with tables of descriptor values for a set of selected reference compounds and an up-to-date reference list add to the practical value of the book, making it an invaluable guide for all those dealing with bioactive molecules as well as for researchers.

Documentation Abstracts

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Publisher :
ISBN 13 :
Total Pages : 436 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Documentation Abstracts by :

Download or read book Documentation Abstracts written by and published by . This book was released on 1997 with total page 436 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Indian Journal of Chemistry

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Publisher :
ISBN 13 :
Total Pages : 748 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Indian Journal of Chemistry by :

Download or read book Indian Journal of Chemistry written by and published by . This book was released on 2000 with total page 748 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Machine Learning in Molecular Sciences

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Publisher : Springer Nature
ISBN 13 : 3031371968
Total Pages : 323 pages
Book Rating : 4.0/5 (313 download)

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Book Synopsis Machine Learning in Molecular Sciences by : Chen Qu

Download or read book Machine Learning in Molecular Sciences written by Chen Qu and published by Springer Nature. This book was released on 2023-11-02 with total page 323 pages. Available in PDF, EPUB and Kindle. Book excerpt: Machine learning and artificial intelligence have propelled research across various molecular science disciplines thanks to the rapid progress in computing hardware, algorithms, and data accumulation. This book presents recent machine learning applications in the broad research field of molecular sciences. Written by an international group of renowned experts, this edited volume covers both the machine learning methodologies and state-of-the-art machine learning applications in a wide range of topics in molecular sciences, from electronic structure theory to nuclear dynamics of small molecules, to the design and synthesis of large organic and biological molecules. This book is a valuable resource for researchers and students interested in applying machine learning in the research of molecular sciences.

Automated Machine Learning

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Publisher : Springer
ISBN 13 : 3030053180
Total Pages : 223 pages
Book Rating : 4.0/5 (3 download)

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Book Synopsis Automated Machine Learning by : Frank Hutter

Download or read book Automated Machine Learning written by Frank Hutter and published by Springer. This book was released on 2019-05-17 with total page 223 pages. Available in PDF, EPUB and Kindle. Book excerpt: This open access book presents the first comprehensive overview of general methods in Automated Machine Learning (AutoML), collects descriptions of existing systems based on these methods, and discusses the first series of international challenges of AutoML systems. The recent success of commercial ML applications and the rapid growth of the field has created a high demand for off-the-shelf ML methods that can be used easily and without expert knowledge. However, many of the recent machine learning successes crucially rely on human experts, who manually select appropriate ML architectures (deep learning architectures or more traditional ML workflows) and their hyperparameters. To overcome this problem, the field of AutoML targets a progressive automation of machine learning, based on principles from optimization and machine learning itself. This book serves as a point of entry into this quickly-developing field for researchers and advanced students alike, as well as providing a reference for practitioners aiming to use AutoML in their work.

Neural Networks for Pattern Recognition

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Publisher : Oxford University Press
ISBN 13 : 0198538642
Total Pages : 501 pages
Book Rating : 4.1/5 (985 download)

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Book Synopsis Neural Networks for Pattern Recognition by : Christopher M. Bishop

Download or read book Neural Networks for Pattern Recognition written by Christopher M. Bishop and published by Oxford University Press. This book was released on 1995-11-23 with total page 501 pages. Available in PDF, EPUB and Kindle. Book excerpt: Statistical pattern recognition; Probability density estimation; Single-layer networks; The multi-layer perceptron; Radial basis functions; Error functions; Parameter optimization algorithms; Pre-processing and feature extraction; Learning and generalization; Bayesian techniques; Appendix; References; Index.

Deep Learning on Graphs

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Publisher : Cambridge University Press
ISBN 13 : 1108831745
Total Pages : 339 pages
Book Rating : 4.1/5 (88 download)

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Book Synopsis Deep Learning on Graphs by : Yao Ma

Download or read book Deep Learning on Graphs written by Yao Ma and published by Cambridge University Press. This book was released on 2021-09-23 with total page 339 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive text on foundations and techniques of graph neural networks with applications in NLP, data mining, vision and healthcare.

Introduction to Embedded Systems, Second Edition

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Publisher : MIT Press
ISBN 13 : 0262340526
Total Pages : 562 pages
Book Rating : 4.2/5 (623 download)

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Book Synopsis Introduction to Embedded Systems, Second Edition by : Edward Ashford Lee

Download or read book Introduction to Embedded Systems, Second Edition written by Edward Ashford Lee and published by MIT Press. This book was released on 2017-01-06 with total page 562 pages. Available in PDF, EPUB and Kindle. Book excerpt: An introduction to the engineering principles of embedded systems, with a focus on modeling, design, and analysis of cyber-physical systems. The most visible use of computers and software is processing information for human consumption. The vast majority of computers in use, however, are much less visible. They run the engine, brakes, seatbelts, airbag, and audio system in your car. They digitally encode your voice and construct a radio signal to send it from your cell phone to a base station. They command robots on a factory floor, power generation in a power plant, processes in a chemical plant, and traffic lights in a city. These less visible computers are called embedded systems, and the software they run is called embedded software. The principal challenges in designing and analyzing embedded systems stem from their interaction with physical processes. This book takes a cyber-physical approach to embedded systems, introducing the engineering concepts underlying embedded systems as a technology and as a subject of study. The focus is on modeling, design, and analysis of cyber-physical systems, which integrate computation, networking, and physical processes. The second edition offers two new chapters, several new exercises, and other improvements. The book can be used as a textbook at the advanced undergraduate or introductory graduate level and as a professional reference for practicing engineers and computer scientists. Readers should have some familiarity with machine structures, computer programming, basic discrete mathematics and algorithms, and signals and systems.

DNA Computing and Molecular Programming

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Publisher : Springer
ISBN 13 : 3030268071
Total Pages : 247 pages
Book Rating : 4.0/5 (32 download)

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Book Synopsis DNA Computing and Molecular Programming by : Chris Thachuk

Download or read book DNA Computing and Molecular Programming written by Chris Thachuk and published by Springer. This book was released on 2019-07-30 with total page 247 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book constitutes the refereed proceedings of the 25th International Conference on DNA Computing and Molecular Programming, DNA 25, held in Seattle, WA, USA, in August 2019. The 12 full papers presented were carefully selected from 19 submissions. The papers cover a wide range of topics relating to biomolecular computing such as algorithms and models for computation on biomolecular systems; computational processes in vitro and in vivo; molecular switches, gates, devices, and circuits; molecular folding and self-assembly of nanostructures; analysis and theoretical models of laboratory techniques; molecular motors and molecular robotics; information storage; studies of fault-tolerance and error correction; software tools for analysis, simulation, anddesign; synthetic biology and in vitro evolution; and applications in engineering, physics, chemistry, biology, and medicine.

Handbook of Materials Modeling

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Publisher : Springer Science & Business Media
ISBN 13 : 1402032862
Total Pages : 2903 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis Handbook of Materials Modeling by : Sidney Yip

Download or read book Handbook of Materials Modeling written by Sidney Yip and published by Springer Science & Business Media. This book was released on 2007-11-17 with total page 2903 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community. Subject Editors: Martin Bazant, MIT; Bruce Boghosian, Tufts University; Richard Catlow, Royal Institution; Long-Qing Chen, Pennsylvania State University; William Curtin, Brown University; Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory; Nicolas Hadjiconstantinou, MIT; Mark F. Horstemeyer, Mississippi State University; Efthimios Kaxiras, Harvard University; L. Mahadevan, Harvard University; Dimitrios Maroudas, University of Massachusetts; Nicola Marzari, MIT; Horia Metiu, University of California Santa Barbara; Gregory C. Rutledge, MIT; David J. Srolovitz, Princeton University; Bernhardt L. Trout, MIT; Dieter Wolf, Argonne National Laboratory.

Biomedical Information Technology

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Publisher : Academic Press
ISBN 13 : 0128160357
Total Pages : 822 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Biomedical Information Technology by : David Dagan Feng

Download or read book Biomedical Information Technology written by David Dagan Feng and published by Academic Press. This book was released on 2019-10-22 with total page 822 pages. Available in PDF, EPUB and Kindle. Book excerpt: Biomedical Information Technology, Second Edition, contains practical, integrated clinical applications for disease detection, diagnosis, surgery, therapy and biomedical knowledge discovery, including the latest advances in the field, such as biomedical sensors, machine intelligence, artificial intelligence, deep learning in medical imaging, neural networks, natural language processing, large-scale histopathological image analysis, virtual, augmented and mixed reality, neural interfaces, and data analytics and behavioral informatics in modern medicine. The enormous growth in the field of biotechnology necessitates the utilization of information technology for the management, flow and organization of data. All biomedical professionals can benefit from a greater understanding of how data can be efficiently managed and utilized through data compression, modeling, processing, registration, visualization, communication and large-scale biological computing. - Presents the world's most recognized authorities who give their "best practices" - Provides professionals with the most up-to-date and mission critical tools to evaluate the latest advances in the field - Gives new staff the technological fundamentals and updates experienced professionals with the latest practical integrated clinical applications

Encyclopedia of Human Behavior

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Publisher : Academic Press
ISBN 13 : 0080961800
Total Pages : 2475 pages
Book Rating : 4.0/5 (89 download)

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Book Synopsis Encyclopedia of Human Behavior by :

Download or read book Encyclopedia of Human Behavior written by and published by Academic Press. This book was released on 2012-01-31 with total page 2475 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Encyclopedia of Human Behavior, Second Edition, Three Voluime Set is an award-winning three-volume reference on human action and reaction, and the thoughts, feelings, and physiological functions behind those actions. Presented alphabetically by title, 300 articles probe both enduring and exciting new topics in physiological psychology, perception, personality, abnormal and clinical psychology, cognition and learning, social psychology, developmental psychology, language, and applied contexts. Written by leading scientists in these disciplines, every article has been peer-reviewed to establish clarity, accuracy, and comprehensiveness. The most comprehensive reference source to provide both depth and breadth to the study of human behavior, the encyclopedia will again be a much-used reference source. This set appeals to public, corporate, university and college libraries, libraries in two-year colleges, and some secondary schools. Carefully crafted, well written, and thoroughly indexed, the encyclopedia helps users—whether they are students just beginning formal study of the broad field or specialists in a branch of psychology—understand the field and how and why humans behave as we do. Named a 2013 Outstanding Academic Title by the American Library Association's Choice publication Concise entries (ten pages on average) provide foundational knowledge of the field Each article features suggested further readings, a list of related websites, a 5-10 word glossary and a definition paragraph, and cross-references to related articles in the encyclopedi Newly expanded editorial board and a host of international contributors from the United States, Australia, Belgium, Canada, France, Germany, Ireland, Israel, Japan, Sweden, and the United Kingdom