A Fast Classification Scheme in Raman Spectroscopy for the Identification of Mineral Mixtures Using a Large Database With Correlated Predictors


Sturdy classification methods are vital to the successful implementation of the many material characterization techniques, significantly where giant databases exist. During this paper, we demonstrate an very quick classification methodology for the identification of mineral mixtures in Raman spectroscopy using the large RRUFF database. However, this method is equally applicable to different techniques meeting the massive database criteria, these including laser-induced breakdown, X-ray diffraction, and mass spectroscopy methods. Classification of these multivariate datasets will be challenging due in part to the various obscuring options inherently present within the underlying dataset and in half to the amount and selection of knowledge known a priori. A number of the more specific challenges embody the observation of mixtures with overlapping spectral options, the use of large databases (i.e., the quantity of predictors far outweighs the number of observations), the utilization of databases that contain teams of correlated spectra, and therefore the ever gift, clouding contaminants of noise, undesired background, and spectrometer artifacts. Though several existing classification algorithms try to address these problems individually, not several address them as a whole. Here, we have a tendency to apply a multistage approach, that leverages well-established constrained regression techniques, to beat these challenges. Our modifications to conventional algorithm implementations are shown to extend speed and performance of the classification process. Not like several different techniques, our methodology is ready to rapidly classify mixtures while simultaneously preserving sparsity. It's simply implemented, has very few tuning parameters, will not need in depth parameter coaching, and does not need information dimensionality reduction prior to classification.

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