Abstract

The course will cover the basics of chemometrics with specific focus on the applications to the analysis of spectroscopic data and hyperspectral images. At first the concepts of exploratory analysis based on projection methods will be explained and exemplified, through the illustration of principal component analysis (PCA) as a paradigmatic technique. Topics such as traditional and fuzzy clustering will also be covered.

Successively, particular attention will be devoted to curve resolution methods and, in particular, to MCR-ALS, discussing the relevance of the different constraints in the definition of the final solution.

Lastly, the possibility of using spectra or images as the basis for the prediction of qualitative (regression) and quantitative (classification) responses will also be addressed.