A core principle of physics is knowledge gained from data. Thus, deep learning has instantly entered physics and may become a new paradigm in basic and applied research.This textbook addresses physics students and physicists who want to understand what deep learning actually means, and what is the potential for their own scientific projects. Being familiar with linear algebra and parameter optimization is sufficient to jump-start deep learning. Adopting a pragmatic approach, basic and advanced applications in physics research are described. Also offered are simple hands-on exercises for implementing deep networks for which python code and training data can be downloaded.

What is deep learning for those who study physics? Is it completely different from physics? Or is it similar? In recent years, machine learning, including deep learning, has begun to be used in various physics studies. Why is that? Is knowing physics useful in machine learning? Conversely, is knowing machine learning useful in physics? This book is devoted to answers of these questions. Starting with basic ideas of physics, neural networks are derived naturally. And you can learn the concepts of deep learning through the words of physics. In fact, the foundation of machine learning can be attributed to physical concepts. Hamiltonians that determine physical systems characterize various machine learning structures. Statistical physics given by Hamiltonians defines machine learning by neural networks. Furthermore, solving inverse problems in physics through machine learning and generalization essentially provides progress and even revolutions in physics. For these reasons, in recent years interdisciplinary research in machine learning and physics has been expanding dramatically. This book is written for anyone who wants to learn, understand, and apply the relationship between deep learning/machine learning and physics. All that is needed to read this book are the basic concepts in physics: energy and Hamiltonians. The concepts of statistical mechanics and the bracket notation of quantum mechanics, which are explained in columns, are used to explain deep learning frameworks. We encourage you to explore this new active field of machine learning and physics, with this book as a map of the continent to be explored.

This volume develops an effective theory approach to understanding deep neural networks of practical relevance.

A textbook covering data-science and machine learning methods for modelling and control in engineering and science, with Python and MATLAB®.

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.

This book focuses on the fundamentals of deep learning along with reporting on the current state-of-art research on deep learning. In addition, it provides an insight of deep neural networks in action with illustrative coding examples. Deep learning is a new area of machine learning research which has been introduced with the objective of moving ML closer to one of its original goals, i.e. artificial intelligence. Deep learning was developed as an ML approach to deal with complex input-output mappings. While traditional methods successfully solve problems where final value is a simple function of input data, deep learning techniques are able to capture composite relations between non-immediately related fields, for example between air pressure recordings and English words, millions of pixels and textual description, brand-related news and future stock prices and almost all real world problems. Deep learning is a class of nature inspired machine learning algorithms that uses a cascade of multiple layers of nonlinear processing units for feature extraction and transformation. Each successive layer uses the output from the previous layer as input. The learning may be supervised (e.g. classification) and/or unsupervised (e.g. pattern analysis) manners. These algorithms learn multiple levels of representations that correspond to different levels of abstraction by resorting to some form of gradient descent for training via backpropagation. Layers that have been used in deep learning include hidden layers of an artificial neural network and sets of propositional formulas. They may also include latent variables organized layer-wise in deep generative models such as the nodes in deep belief networks and deep boltzmann machines. Deep learning is part of state-of-the-art systems in various disciplines, particularly computer vision, automatic speech recognition (ASR) and human action recognition.

This modern and self-contained book offers a clear and accessible introduction to the important topic of machine learning with neural networks. In addition to describing the mathematical principles of the topic, and its historical evolution, strong connections are drawn with underlying methods from statistical physics and current applications within science and engineering. Closely based around a well-established undergraduate course, this pedagogical text provides a solid understanding of the key aspects of modern machine learning with artificial neural networks, for students in physics, mathematics, and engineering. Numerous exercises expand and reinforce key concepts within the book and allow students to hone their programming skills. Frequent references to current research develop a detailed perspective on the state-of-the-art in machine learning research.