This book presents new findings on cyber-physical systems design and modelling approaches based on AI and data-driven techniques, identifying the key industrial challenges and the main features of design and modelling processes. To enhance the efficiency of the design process, it proposes new approaches based on the concept of digital twins. Further, it substantiates the scientific, practical, and methodological approaches to modelling and simulating of cyber-physical systems. Exploring digital twins of cyber-physical systems as well as of production systems, it proposes combining both mathematical models and data processing techniques as advanced methods for cyber-physical system design and modelling. Moreover, it presents the implementation of the developed prototypes, including testing in real industries, which have collected and analyzed big data and proved their effectiveness. The book is intended for practitioners, enterprise representatives, scientists, and Ph.D. and master’s students interested in the research and applications of cyber-physical systems in different domains.