Machine Learning Tools for Chemical Engineering

Francisco Javier López-Flores received his Master’s and Ph.D. degrees from the Chemical Engineering Department at the Universidad Michoacana de San Nicolás de Hidalgo in Mexico in 2020 and 2024, respectively. His research interests include process optimization, energy integration, planning strategies, and machine learning. He has published more than ten scientific papers and presented his research at ten international and regional conferences.Rogelio Ochoa-Barragán earned his Ph.D. and Master’s degrees in Chemical Engineering from the Universidad Michoacana de San Nicolás de Hidalgo in Mexico in 2020 and 2024, respectively. His current research focuses on process optimization, energy network management, social justice, and machine learning. His work has been presented at eleven international and regional conferences. He has published more than ten scientific articles and contributed to two books. Alma Yunuen Raya-Tapia is currently pursuing a Ph.D. in Chemical Engineering at the Universidad Michoacana de San Nicolás de Hidalgo. She earned her Master of Science in Chemical Engineering in 2021 with honors, following a degree in Chemical Engineering from the Technological Institute of Lázaro Cárdenas in 2019. Her research focuses on materials synthesis, photocatalysis, dye degradation, wastewater treatment, and the strategic planning of the water-energy-food nexus, combined with machine learning techniques. She has published more than ten scientific articles and presented her work at five international and national conferences. César Ramírez-Márquez is a Postdoctoral Fellow at the Chemical Engineering Department of the Universidad Michoacana de San Nicolás de Hidalgo, Mexico. He earned his Ph.D. from the University of Guanajuato, Mexico, in 2020. His current research focuses on the production of materials for the solar energy industry and base chemicals in the chemical industry. He has published more than 55 journal papers, six book chapters, presented his work at over fifteen international and regional conferences, and holds four patents. José María Ponce-Ortega is a Professor in the Chemical Engineering Department at the Universidad Michoacana de San Nicolás de Hidalgo, Mexico. He earned his Ph.D. and Master’s degrees in Chemical Engineering from the Institute of Technology of Celaya, Mexico, in 2009 and 2003, respectively. He completed postdoctoral research at Texas A&M University, USA, and served as a visiting scholar at Carnegie Mellon University, USA. Dr. Ponce-Ortega is a full professor and a member of the National Research System of Mexico. His research focuses on the optimization of chemical processes, sustainable design, energy, mass, water, and property integration, and supply chain optimization. He has published more than 310 papers, five books, and 60 book chapters. He has supervised 30 Ph.D. students and 50 Master’s students and secured funding for 15 research projects totaling approximately $1,000,000. Dr. Ponce-Ortega serves on the editorial boards of Clean Technologies and Environmental Policy and Process Integration and Optimization for Sustainability, and is a subject editor for Sustainable Production and Consumption, as well as associate editor in Frontiers in Chemical Engineering

• Section I: Introduction to Machine Learning for Chemical Engineering1. Introduction to Machine Learning2. Data Science in Chemical Engineering3. Fundamentals of Machine Learning AlgorithmsSection II: Tools and Software4. Machine Learning with Python5. Machine Learning with RSection lll: Supervised Learning, Unsupervised Learning and Optimization6. Linear and polynomial regression7. Support Vector Machines8. Decision Trees and Random Forests9. Deep Learning10. Clustering and Dimensionality Reduction11. Machine Learning Model Optimization12. Machine Learning in Chemical Processes13. Machine learning in Supply Chain Management14. Machine Learning in Energy Integration15. Machine Learning in Time Series Forecasting16. Machine Learning in Optimal Water Management in the Exploitation of Unconventional Fossil Fuels17. Challenges and Future Scope