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

by S. Anbumalar, R. Anandanatarajan, P. Rameshbabu
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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

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