This book offers innovative insights into the integration of machine learning and inverse problems, showcasing cutting-edge methodologies that enhance computational efficiency and accuracy. By leveraging artificial intelligence, optimization techniques, and high-performance computing, it addresses complex challenges across various scientific and industrial domains. The contributions featured in this book encompass theoretical advancements and practical applications, highlighting diverse topics such as data-driven approaches, uncertainty quantification, and algorithmic innovations. This interdisciplinary collection is designed for researchers, practitioners, and students interested in the transformative potential of informatics and computational sciences. By presenting meticulously reviewed papers from the Third International Conference on Mathematical and Computational Sciences (ICMDS 2024), this issue serves as a valuable resource for fostering further research and development, inspiring new approaches to solving pressing problems through advanced computational methods.