DEFORMULATION TECHNIQUES FOR DEDUCING THE COMPOSITION OF A MATERIAL FROM A SPECTROGRAM

The present disclosure relates to techniques for deformulating the spectra of arbitrary compound formulations such as polymer formulations into their chemical components. Particularly, aspects of the present disclosure are directed to obtaining an initial set of spectra for a plurality of samples comprising pure samples and composite samples, constructing a basis set of spectra for a plurality of pure samples based on the initial set of spectra, and providing or outputting the basis set of spectrum. The basis set of spectra is constructed in an iterative process that attempts to decompose, using a decomposition algorithm or model, the spectrum from the initial set of spectra in order to differentiate the pure samples from the composite samples. The basis set of spectra may then be used to deduce the composition of a material from a spectrogram.