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Reseach Article

Sparse Non-negative Matrix Factorization and its Application in Overlapped Chromatograms Separation

by S. Anbumalar, R. Anandanatarajan, P. Rameshbabu
International Journal of Computer Applications
Foundation of Computer Science (FCS), NY, USA
Volume 63 - Number 21
Year of Publication: 2013
Authors: S. Anbumalar, R. Anandanatarajan, P. Rameshbabu
10.5120/10587-5199

S. Anbumalar, R. Anandanatarajan, P. Rameshbabu . Sparse Non-negative Matrix Factorization and its Application in Overlapped Chromatograms Separation. International Journal of Computer Applications. 63, 21 ( February 2013), 1-10. DOI=10.5120/10587-5199

@article{ 10.5120/10587-5199,
author = { S. Anbumalar, R. Anandanatarajan, P. Rameshbabu },
title = { Sparse Non-negative Matrix Factorization and its Application in Overlapped Chromatograms Separation },
journal = { International Journal of Computer Applications },
issue_date = { February 2013 },
volume = { 63 },
number = { 21 },
month = { February },
year = { 2013 },
issn = { 0975-8887 },
pages = { 1-10 },
numpages = {9},
url = { https://ijcaonline.org/archives/volume63/number21/10587-5199/ },
doi = { 10.5120/10587-5199 },
publisher = {Foundation of Computer Science (FCS), NY, USA},
address = {New York, USA}
}
%0 Journal Article
%1 2024-02-06T21:14:56.115113+05:30
%A S. Anbumalar
%A R. Anandanatarajan
%A P. Rameshbabu
%T Sparse Non-negative Matrix Factorization and its Application in Overlapped Chromatograms Separation
%J International Journal of Computer Applications
%@ 0975-8887
%V 63
%N 21
%P 1-10
%D 2013
%I Foundation of Computer Science (FCS), NY, USA
Abstract

A new NMF algorithm has been proposed for the deconvolution of overlapping chromatograms of chemical mixture. Most of the NMF algorithms used so far for chromatogram separation do not converge to a stable limit point. To get same results for all the runs, instead of random initialization, three different initialization methods have been used namely, ALS-NMF (robust initialization), NNDSVD based initialization and EFA based initializations. To improve the convergence, a new sNMF algorithm with modified multiplicative update (ML-sNMF) has been proposed in this work for overlapped chromatogram separation. The algorithm has been validated with the help of simulated partially, severely overlapped and embedded chromatograms. The proposed ML-sNMF algorithm has also been validated with the help of experimental overlapping chromatograms obtained using Gas Chromatography –Flame Ionization Detector (GC-FID) for the chemical mixture of acetone and acrolein.

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Index Terms

Computer Science
Information Sciences

Keywords

ML-sNMF modified update for convergence ALS-NMF (Robust) EFA and NNDSVD based initializations Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS) Resolution overlapped and embedded chromatograms acetone and acrolein mixture