Machine Learning and Big Data Analysis in the Catalysis Field

Abstract

Recently, there has been a rapid development of experimental methods in the field of catalytic research, an increase in the amount of data that is difficult to process and objectively interpret. These methods will allow you to obtain the necessary information from experimental data using statistical approaches such as PCA, MCR, ALS. The use of new statistical and computational data processing methods will accelerate the development and implementation of catalytic technologies. At the same time, machine learning algorithms are beginning to be actively used to interpret and build descriptive models. This article will discuss the main methods of machine learning and their successful application for the analysis of infrared and X-ray absorption spectroscopy data.