The talk is to introduce our latest advancements in the application of Artificial Intelligence (AI) to optimize advanced internal combustion engines (ICE) to make them more efficient and reduce their carbon footprint and other criteria pollutants. A novel automated SuperLearner (AutoSL) model was developed in-house to meet all our machine learning needs and help engineers and scientists utilize AI/ML in their applications with no/limited formal knowledge of AI/ML. The applications of AI/ML to ICE optimization are discussed through case studies, including geometrical, control parameters optimization, and a gentle introduction to our AI/ML-driven fuel formulation tailored to specific advanced ICE applications.