Analysis of Three-Dimensional Fluorescence Overlapping Spectra Using Nonnegative Matrix Factorization
YU Xiao-ya1, ZHANG Yu-jun1*, YIN Gao-fang1, ZHAO Nan-jing1, XIAO Xue1, ZHANG Wei1, ZHANG Rong1, LU Chang-hua2, LIU Wen-qing1
1. Key Laboratory of Environment Optics and Technology, Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031, China 2. School of Computer and Information, Hefei University of Technology, Hefei 230009, China
Abstract：The present paper primarily tests and verifies the effect of NMF in blind source separation of three-dimensional simulative fluorescence spectra, and then four different computational algorithms (multiplicative iterative; alternating least square; second order method; projected gradient algorithm) were used in three practical phenolic compounds(cresol, phenol, thymol) overlapping fluorescence spectra to find out which nonnegatively constrained algorithms is the most efficient for fluorescence spectra unmixing. The experiments demonstrate that four ways have the normalized residuals below 0.06%, and alternating least square(ALS) is the best at both convergence behavior and robustness.
[1] WANG Huan-bo, ZHANG Yu-jun, XIAO Xue, et al(王欢博，张玉钧，肖 雪，等). Acta Optica Sinica(光学学报), 2011, 31(s1): s100107. [2] Lee D D，Seung H S. Nature, 1999, 401: 788. [3] Heiler M, Schnorr C. Journal of Machine Learning Research, 2006, 7(7): 1385. [4] Gao Hongtao, Li Tonghua, Chen Kai, et al. Talanta, 2005, 66: 65. [5] Pauca V P, Piper J, Plemmons R J. Linear Algebra and its Applications, 2006, 416: 29. [6] Francesca Guimet , Ricard Boqué, Joan Ferré. Chemometrics Intell. Lab. Systems, 2006, 81: 94. [7] Rafa Zdunek. Signals and Electronic Systems (ICSES), 2012，9: 18. [8] Paatero P. Chemometrics Intell. Lab. Systems, 1997，38(2): 223. [9] Kim D, Sra S, Dhillon I S. Proceedings of SIAM Conference on Data April, 2007. [10] Lin C J. Neural Computation, 2007，19(10): 2756. [11] Zdunek C R, Phan A H, Amari S I. Wiley & Sons, 2009. [12] Yu Shaohui, Zhang Yujun, Liu Wenging et al. Journal of Chemometrics, 2011，25: 586.
