I have a set of known frequency spectrum data for this set of chemical compounds. Then the unknown Y is the mixture of some of these compounds. The task is to determine what compounds are in this mixture and their strengths. For example, S1 is the unit spectrum of the first compound and S2 is the unit spectrum of the 2nd compound. If the mixture has A units of the first compound and B units of the 2nd compound, the resulting Spectrum = AS1 + BS2.
I have seen examples of multi-class multi-label classification models, and multi-outputs regression models. But I need a model that can do both. Any suggestions?