Monte Carlo algorithm for least dependent non-negative mixture decomposition

Analytical Chemistry
Sergey A AstakhovPeter Grassberger

Abstract

We propose a simulated annealing algorithm (stochastic non-negative independent component analysis, SNICA) for blind decomposition of linear mixtures of non-negative sources with non-negative coefficients. The demixing is based on a Metropolis-type Monte Carlo search for least dependent components, with the mutual information between recovered components as a cost function and their non-negativity as a hard constraint. Elementary moves are shears in two-dimensional subspaces and rotations in three-dimensional subspaces. The algorithm is geared at decomposing signals whose probability densities peak at zero, the case typical in analytical spectroscopy and multivariate curve resolution. The decomposition performance on large samples of synthetic mixtures and experimental data is much better than that of traditional blind source separation methods based on principal component analysis (MILCA, FastICA, RADICAL) and chemometrics techniques (SIMPLISMA, ALS, BTEM).

References

Jun 15, 2004·Analytical Chemistry·Barry Lavine, Jerome J Workman
Jul 13, 2004·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Alexander KraskovPeter Grassberger
Sep 25, 2004·IEEE Transactions on Neural Networks·Mark D Plumbley, Erkki Oja
Feb 9, 2005·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Harald StögbauerPeter Grassberger
Mar 1, 2005·IEEE Transactions on Neural Networks·Wei Lu, Jagath C Rajapakse
May 13, 1983·Science·S KirkpatrickM P Vecchi
Sep 5, 2005·Optics Express·Keith LidkeRainer Heintzmann
Jan 1, 1996·Analytical Chemistry·F C SánchezD L Massart

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Citations

Mar 26, 2010·Analytical and Bioanalytical Chemistry·Yu B MonakhovaS A Astakhov
Aug 22, 2014·Progress in Nuclear Magnetic Resonance Spectroscopy·Ichrak ToumiBruno Torrésani
Mar 20, 2010·IEEE Transactions on Pattern Analysis and Machine Intelligence·Fa-Yu WangYue Wang
Oct 1, 2012·IEEE Transactions on Neural Networks and Learning Systems·Zuyuan YangYue Rong
Nov 21, 2007·Analytical and Bioanalytical Chemistry·M CunyD N Rutledge
Jul 2, 2015·Magnetic Resonance in Chemistry : MRC·Yulia B MonakhovaSvetlana P Mushtakova
May 22, 2019·Sensors·Angel MurNatividad Duro
Jan 31, 2021·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Zhixiang YaoJu Yao
May 20, 2008·Analytical Chemistry·Barry Lavine, Jerome Workman

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