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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 bottlenec...
The development of “intelligent” systems that can take decisions and perform autonomously might lead to faster and more consistent decisions. A limiting factor for a broader adoption of AI technology is the inherent risks that come with giving up human control and oversight to “intelligent” machines. For sensitive tasks involving critical infrastructures and affecting human well-being or health, it is crucial to limit the possibility of improper, non-robust and unsafe decisions and actions. Before deploying an AI system, we see a strong need to validate its behavior, and thus establish guarantees that it will continue to perform as expected when deployed in a real-world environment. ...
Atomic-Scale Modelling of Electrochemical Systems A comprehensive overview of atomistic computational electrochemistry, discussing methods, implementation, and state-of-the-art applications in the field The first book to review state-of-the-art computational and theoretical methods for modelling, understanding, and predicting the properties of electrochemical interfaces. This book presents a detailed description of the current methods, their background, limitations, and use for addressing the electrochemical interface and reactions. It also highlights several applications in electrocatalysis and electrochemistry. Atomic-Scale Modelling of Electrochemical Systems discusses different ways of i...
This book, which is part of a two-volume handbook set, gives a comprehensive description of recent developments in materials science and manufacturing technology, aiming primarily at its applications in biomedical science, advanced engineering materials, conventional/non-conventional manufacturing techniques, sustainable engineering design, and related domains. Manufacturing Engineering and Materials Science: Tools and Applications provides state-of-the-art research conducted in the fields of technological advancements in surface engineering, tribology, additive manufacturing, precision manufacturing, electromechanical systems, and computer-assisted design and manufacturing. The book captures emerging areas of materials science and advanced manufacturing engineering and presents the most recent trends in research for emerging researchers, field engineers, and academic professionals.
Rigorous treatment of the theory of deep learning from first principles, with applications to beautiful problems in the natural sciences.
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This book presents a taxonomy framework and survey of methods relevant to explaining the decisions and analyzing the inner workings of Natural Language Processing (NLP) models. The book is intended to provide a snapshot of Explainable NLP, though the field continues to rapidly grow. The book is intended to be both readable by first-year M.Sc. students and interesting to an expert audience. The book opens by motivating a focus on providing a consistent taxonomy, pointing out inconsistencies and redundancies in previous taxonomies. It goes on to present (i) a taxonomy or framework for thinking about how approaches to explainable NLP relate to one another; (ii) brief surveys of each of the classes in the taxonomy, with a focus on methods that are relevant for NLP; and (iii) a discussion of the inherent limitations of some classes of methods, as well as how to best evaluate them. Finally, the book closes by providing a list of resources for further research on explainability.
THE MACHINE LEARNING MCQ (MULTIPLE CHOICE QUESTIONS) SERVES AS A VALUABLE RESOURCE FOR INDIVIDUALS AIMING TO DEEPEN THEIR UNDERSTANDING OF VARIOUS COMPETITIVE EXAMS, CLASS TESTS, QUIZ COMPETITIONS, AND SIMILAR ASSESSMENTS. WITH ITS EXTENSIVE COLLECTION OF MCQS, THIS BOOK EMPOWERS YOU TO ASSESS YOUR GRASP OF THE SUBJECT MATTER AND YOUR PROFICIENCY LEVEL. BY ENGAGING WITH THESE MULTIPLE-CHOICE QUESTIONS, YOU CAN IMPROVE YOUR KNOWLEDGE OF THE SUBJECT, IDENTIFY AREAS FOR IMPROVEMENT, AND LAY A SOLID FOUNDATION. DIVE INTO THE MACHINE LEARNING MCQ TO EXPAND YOUR MACHINE LEARNING KNOWLEDGE AND EXCEL IN QUIZ COMPETITIONS, ACADEMIC STUDIES, OR PROFESSIONAL ENDEAVORS. THE ANSWERS TO THE QUESTIONS ARE PROVIDED AT THE END OF EACH PAGE, MAKING IT EASY FOR PARTICIPANTS TO VERIFY THEIR ANSWERS AND PREPARE EFFECTIVELY.
Artificial intelligence, or AI, now affects the day-to-day life of almost everyone on the planet, and continues to be a perennial hot topic in the news. This book presents the proceedings of ECAI 2023, the 26th European Conference on Artificial Intelligence, and of PAIS 2023, the 12th Conference on Prestigious Applications of Intelligent Systems, held from 30 September to 4 October 2023 and on 3 October 2023 respectively in Kraków, Poland. Since 1974, ECAI has been the premier venue for presenting AI research in Europe, and this annual conference has become the place for researchers and practitioners of AI to discuss the latest trends and challenges in all subfields of AI, and to demonstrat...
Explainable Deep Learning AI: Methods and Challenges presents the latest works of leading researchers in the XAI area, offering an overview of the XAI area, along with several novel technical methods and applications that address explainability challenges for deep learning AI systems. The book overviews XAI and then covers a number of specific technical works and approaches for deep learning, ranging from general XAI methods to specific XAI applications, and finally, with user-oriented evaluation approaches. It also explores the main categories of explainable AI – deep learning, which become the necessary condition in various applications of artificial intelligence. The groups of methods s...