title: Estimation of source spectra profiles and simultaneous determination of polycomponent in mixtures from ultraviolet spectra data using kernel independent component analysis and support vector regression.
abstract: A method that use kernel independent component analysis (KICA) and support vector regression (SVR) was proposed for estimation of source ultraviolet (UV) spectra profiles and simultaneous determination of polycomponents in mixtures. In KICA-SVR procedure, the UV source spectra profiles were estimated using KICA, then the mixing matrix of the components were calculated using the estimated sources, and the calibration model was build using SVR based on the calculated mixing matrix. A simulated UV dataset of three-component mixtures was used to test the ability of KICA for estimating source spectra profiles from spectra data of mixtures. It was found that KICA has the potential power to estimate pure UV spectra profiles, and correlation coefficient of estimated sources correspond to the real adopted ones are better compared with that by FastICA and Infomax ICA. An UV dataset of polycomponent vitamin B was processed using the proposed KICA-SVR method. The results show that the estimated source spectra profiles are correlative with the real UV spectra of the components and chemically interpretable, and accurate results were obtained.
authors.affiliation: Department of Applied Chemistry, Zhengzhou University of Light Industry, Zhengzhou, Henan 450002, China. gqwang@ustc.edu
authors.forename: Guoqing
authors.initials: G
authors.lastname: Wang
authors.forename: Yu-an
authors.initials: YA
authors.lastname: Sun
authors.forename: Qingzhu
authors.initials: Q
authors.lastname: Ding
authors.forename: Chunhong
authors.initials: C
authors.lastname: Dong
authors.forename: Dexue
authors.initials: D
authors.lastname: Fu
authors.forename: Cunhong
authors.initials: C
authors.lastname: Li