Data Mining, Machine Learning, Deep Learning, Chemometrics. Definitions, common points and Trends (Spoiler Alert: VALIDATE your models!)

Abstract

Concepts like Machine Learning, Data Mining or Artificial Intelligence have become part of our daily life. This is mostly due to the incredible advances made in computation (hardware and software), the increasing capabilities of generating and storing all types of data and, especially, the benefits (societal and economical) that generate the analysis of such data. Simultaneously, Chemometrics has played an important role since the late 1970s, analyzing data within natural science (and especially in Analytical Chemistry). Even with the strong parallelisms between all of the abovementioned terms and being popular with most of us, it is still difficult to clearly define or differentiate the meaning of Machine Learning, Data Mining, Artificial Intelligence, Deep Learning and Chemometrics. This manuscript brings some light to the definitions of Machine Learning, Data Mining, Artificial Intelligence and Big Data Analysis, defines their application ranges and seeks an application space within the field of analytical chemistry (a.k.a. Chemometrics). The manuscript is full of personal, sometimes probably subjective, opinions and statements. Therefore, all opinions here are open for constructive discussion with the only purpose of Learning (like the Machines do nowadays).