Teaching classical machine learning as a graduate-level course in chemical engineering: An algorithmic approach

Abstract

The demand for engineering graduates with technical skills in data science, machine learning (ML), and artificial intelligence (AI) is now growing. Chemical engineering (ChemE) departments around the world are currently addressing this skills gap by instituting AI or ML elective courses in their program. However, designing such a course is difficult since the issue of which ML models to teach and the depth of theory to be discussed remains unclear. In this paper, we present a graduate-level ML course particularly designed such that students will be able to apply ML for research in ChemE. To achieve this, the course intends to cover a wide selection of ML models with emphasis on their motivations, derivations, and training algorithms, followed by their applications to ChemE-related data sets. We argue that this algorithmic approach to teaching ML can help broaden the capabilities of students since they can judge for themselves which tool to use when, even for problems outside the process industries, or they can modify the methods to test novel ideas. We found that students remain engaged in the mathematical details as long as every topic is properly motivated and the gaps in the required statistical and computer science concepts are filled. Hence, this paper also presents a roadmap of ML topics, their motivations, and bridging topics that can be followed by instructors. Lastly, we report anonymized student feedback on this course which is being offered at the Department of Chemical Engineering, University of the Philippines, Diliman.