A new approach to near-infrared spectral data analysis using independent component analysis

Authors
Citation
J. Chen et Xz. Wang, A new approach to near-infrared spectral data analysis using independent component analysis, J CHEM INF, 41(4), 2001, pp. 992-1001
Citations number
48
Categorie Soggetti
Chemistry
Journal title
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
ISSN journal
00952338 → ACNP
Volume
41
Issue
4
Year of publication
2001
Pages
992 - 1001
Database
ISI
SICI code
0095-2338(200107/08)41:4<992:ANATNS>2.0.ZU;2-T
Abstract
This paper presents a new approach to near-infrared spectral (NIR) data ana lysis that is based on independent component analysis (ICA). The main advan tage of the new method is that it is able to separate the spectra of the co nstituent components from the spectra of their mixtures. The separation is a blind operation, since the constituent components of mixtures can be unkn own. The ICA based method is therefore particularly useful in identifying t he unknown components in a mixture as well as in estimating their concentra tions. The approach is introduced by reference to case studies and compared to other techniques for NIR analysis including principal component regress ion (PCR), multiple linear regression (MLR), and partial least squares (PLS ) as well as Fourier and wavelet transforms.