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Machine learning methods, such as decision trees and deep neural networks, are becoming increasingly important and useful for data analysis in various scientific fields including dynamics and control, signal processing, pattern recognition, fluid mechanics, and chemical synthesis, etc. For future engine design and performance optimization, there is an urgent need for a robust predictive model which could capture the major combustion properties such as autoignition and flame propagation of multicomponent fuels under a wide range of engine operating conditions, without massive experimental measurement or computational efforts. It will be shown that these long-held limitations and challenges related to complex fuel combustion and engine research could be readily solved by implementing machine learning methods.

Spark ignition engines utilize catalytic converters to reform harmful exhaust gas emissions such as carbon monoxide, unburned hydrocarbons, and oxides of nitrogen into less harmful products. Aftertreatment devices require the use of expensive catalytic metals such as platinum, palladium, and rhodium. Meanwhile, tightening automotive emissions regulations globally necessitate the development of high-performance exhaust gas catalysts. So, automotive manufactures must balance maximizing catalyst performance while minimizing production costs. There are thousands of different recipes for catalytic converters, with each having a different effect on the various catalytic chemical reactions which impact the resultant tailpipe gas composition. In the development of catalytic converters, simulation models are often used to reduce the need for physical parts and testing, thus saving significant time and money.