HAL will be down for maintenance from Friday, June 10 at 4pm through Monday, June 13 at 9am. More information
Skip to Main content Skip to Navigation
Journal articles

Application of Non-negative Matrix Factorization to LC/MS data

Abstract : Liquid Chromatography-Mass Spectrometry (LC/MS) provides large datasets from which one needs to extract the relevant information. Since these data are made of non-negative mixtures of non-negative mass spectra, non-negative matrix factorization (NMF) is well suited for its processing, but it has barely been used in LC/MS. Also, these data are very difficult to deal with since they are usually contaminated with non-Gaussian noise and the intensities vary on several orders of magnitude. In this article, we show the feasibility of the NMF approach on these data. We also propose an adaptation of one of the algorithms aiming at specifically dealing with LC/MS data. We finally perform experiments and compare standard NMF algorithms on both simulated data and an annotated LC/MS dataset. This lets us evaluate the influence of the noise model and the data model on the recovery of the sources.
Complete list of metadata

Cited literature [28 references]  Display  Hide  Download

Contributor : Jerome Bobin Connect in order to contact the contributor
Submitted on : Tuesday, March 24, 2015 - 3:25:42 PM
Last modification on : Friday, April 8, 2022 - 4:49:47 PM
Long-term archiving on: : Monday, April 17, 2017 - 10:56:41 PM


Files produced by the author(s)


Distributed under a Creative Commons Attribution - NonCommercial 4.0 International License



Jérémy Rapin, Antoine Souloumiac, Jérôme Bobin, Anthony Larue, Chistophe Junot, et al.. Application of Non-negative Matrix Factorization to LC/MS data. Signal Processing: Image Communication, Elsevier, 2016, 123, pp.75-83. ⟨10.1016/j.sigpro.2015.12.014⟩. ⟨hal-01099079⟩



Record views


Files downloads