"multivariate curve resolution"... a NMF using ALS?

So I will reply to myself on this topic, in case someone is interested.

It turns out that the “MCR” technic is a NMF technic performed most of the time using an ALS algorithm, but with specific conditions: closure (sum of the component fractions = 1), uni-modality (components vary in a logical way along a chemical profil, for instance), and of course non-negativity.

So it is quite easy to use Julia NMF algorithm to implement such chemometric technic.

A good paper to read about that is

de Juan, A., and R. Tauler (2006), Multivariate Curve Resolution (MCR) from 2000: Progress in Concepts and Applications, Critical Reviews in Analytical Chemistry, 36(3–4), 163–176, doi:10.1080/10408340600970005.

Best,
C.

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