Describes computational methods for parametric and nonparametric modeling of stochastic dynamics. Aimed at graduate students, and suitable for self-study.

Combining scientific computing methods and algorithms with modern data analysis techniques, including basic applications of compressive sensing and machine learning, this book develops techniques that allow for the integration of the dynamics of complex systems and big data. MATLAB is used throughout for mathematical solution strategies.

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

Trains researchers and graduate students in state-of-the-art statistical and machine learning methods to build models with real-world data.

This volume introduces a series of different data-driven computational methods for analyzing group processes through didactic and tutorial-based examples. Group processes are of central importance to many sectors of society, including government, the military, health care, and corporations. Computational methods are better suited to handle (potentially huge) group process data than traditional methodologies because of their more flexible assumptions and capability to handle real-time trace data. Indeed, the use of methods under the name of computational social science have exploded over the years. However, attention has been focused on original research rather than pedagogy, leaving those interested in obtaining computational skills lacking a much needed resource. Although the methods here can be applied to wider areas of social science, they are specifically tailored to group process research. A number of data-driven methods adapted to group process research are demonstrated in this current volume. These include text mining, relational event modeling, social simulation, machine learning, social sequence analysis, and response surface analysis. In order to take advantage of these new opportunities, this book provides clear examples (e.g., providing code) of group processes in various contexts, setting guidelines and best practices for future work to build upon. This volume will be of great benefit to those willing to learn computational methods. These include academics like graduate students and faculty, multidisciplinary professionals and researchers working on organization and management science, and consultants for various types of organizations and groups.

Computational and Data-Driven Chemistry Using Artificial Intelligence: Volume 1: Fundamentals, Methods and Applications highlights fundamental knowledge and current developments in the field, giving readers insight into how these tools can be harnessed to enhance their own work. Offering the ability to process large or complex data-sets, compare molecular characteristics and behaviors, and help researchers design or identify new structures, Artificial Intelligence (AI) holds huge potential to revolutionize the future of chemistry. Volume 1 explores the fundamental knowledge and current methods being used to apply AI across a whole host of chemistry applications. Drawing on the knowledge of its expert team of global contributors, the book offers fascinating insight into this rapidly developing field and serves as a great resource for all those interested in exploring the opportunities afforded by the intersection of chemistry and AI in their own work. Part 1 provides foundational information on AI in chemistry, with an introduction to the field and guidance on database usage and statistical analysis to help support newcomers to the field. Part 2 then goes on to discuss approaches currently used to address problems in broad areas such as computational and theoretical chemistry; materials, synthetic and medicinal chemistry; crystallography, analytical chemistry, and spectroscopy. Finally, potential future trends in the field are discussed. Provides an accessible introduction to the current state and future possibilities for AI in chemistry Explores how computational chemistry methods and approaches can both enhance and be enhanced by AI Highlights the interdisciplinary and broad applicability of AI tools across a wide range of chemistry fields

Modern scientific computational methods are undergoing a transformative change; big data and statistical learning methods now have the potential to outperform the classical first-principles modeling paradigm. This book bridges this transition, connecting the theory of probability, stochastic processes, functional analysis, numerical analysis, and differential geometry. It describes two classes of computational methods to leverage data for modeling dynamical systems. The first is concerned with data fitting algorithms to estimate parameters in parametric models that are postulated on the basis of physical or dynamical laws. The second is on operator estimation, which uses the data to nonparametrically approximate the operator generated by the transition function of the underlying dynamical systems. This self-contained book is suitable for graduate studies in applied mathematics, statistics, and engineering. Carefully chosen elementary examples with supplementary MATLAB® codes and appendices covering the relevant prerequisite materials are provided, making it suitable for self-study.