Bilinear model factor decomposition: A general mixture analysis tool

N. Omidikia, M. Ghaffari, J. Jansen,L. Buydens,R. Tauler

Chemometrics and Intelligent Laboratory Systems(2023)

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摘要
The analysis of mixtures is a routine task in the analytical chemistry area as well as in other research fields. The objective is to identify, quantify, and interpret the chemical components of the mixtures. Various bilinear factor decomposition methods, including MCR-ALS, NMFand BNFA, have been proposed to solve this problem. However, there is little knowledge about their comparative performance in terms of different factors, such as solution reliability, calculation speed, convergence, flexibility in constraint implementation, and ease of results interpretation.
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关键词
Bilinear decomposition,Mixture analysis,Alternating least squares,Multiplicate updateGradient optimization,Bayesian non-negative factor analysis
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