| 光谱学与光谱分析 |
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| A Spectral Wavelength Selection Algorithm Based on RMSECV Curve |
| ZHOU Yan1, CAO Hui2*, JU Lin-cang1 |
1. School of Energy and Power Engineering, Xi’an Jiaotong University, Xi’an 710049, China
2. School of Electrical Engineering, Xi’an Jiaotong University, Xi’an 710049, China |
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Abstract The present paper presents a partial least squares (PLS) regression coefficient matrix based wavelength selection algorithm. The regression coefficient was used as the criterion for the wavelength selection, and the Root-Mean-Squares Error of Cross-Validation (RMSECV) curve was referred to, to decrease the primary number of wavelength selected. Based on it, the uninformative wavelength can be eeleted through iteration steps, and the prediction accuracy of the model can also be improved. The algorithm was compared with the existing methods via a hydrogenation process Raman spectra data set, and the results indicated that the new algorithm can produce a more accurate and concise model than the existing ones.
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Received: 2010-05-24
Accepted: 2010-10-09
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Corresponding Authors:
CAO Hui
E-mail: huicao@mail.xjtu.edu.cn
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[1] Kourti T, MacGregor J F. Journal of Quality Technology，1996，28(4): 409.
[2] de Peinder P, Visser T, Petrauskas D D, et al. Vibrational Spectroscopy, 2009, 51(2): 205.
[3] Sahin S, Sariburun E, Demir C. Analytical Methods, 2009, 1(3): 208.
[4] Soares I P, Rezende T F, Fortes ICP. Energy & Fuels, 2009, 23(8): 4143.
[5] Bazar G, Kover G, Locsmandi L, et. al. Journal of Near Infrared Spectroscopy, 2009, 17(3): 119.
[6] Norgaard L, Saudland A, Wagner J, et al. Applied Spectroscopy, 2000, 54(3): 413.
[7] Kasemsumran S, Du Y P, Murayama K, et al. Analyst, 2003, 128(12): 1471.
[8] Saeys W, Beullens K, Lammertyn J, et al. Analytical Chemical, 2008, 80: 4951.
[9] Centner V, Massart D L, de Noord O E, et al. Analytical Chemical, 1996, 68: 3851.
[10] Jouan-Rimbaud D, Massart D L, Leardi R, et. al. Analytical Chemstry, 1995, 67: 4295.
[11] Leardi R. Journal of Chemometrics, 2001, 559.
[12] Pontes M J C, Cortez J, Galvao R K H, et al. Analytica Chimica Acta, 2009, 642(1-2): 12.
[13] Wiegand P, Pell R, Comas E. Chemometrics and Intelligent Laboratory Systems, 2009, 98(2): 108.
[14] Spiegelman C H, McShane J M, Goetz M J, et al. Analytical Chemistry, 1998, 70: 35.
[15] CHU Xiao-li, YUAN Hong-fu, LU Wan-zhen(褚小立，袁洪福，陆婉珍). Progress in Chemistry(化学进展)，2004，16(4)：528.
[16] Teofilo R F, Martins J P A, Ferreira M M C, et al. Journal of Chemometrics, 2009, 23(1-2): 32.
[17] MEI Chang-lin, FAN Jin-cheng(梅常林，范金城). Data Analysis Methods (数据分析方法). Beijing: Higher Education Press (北京：高等教育出版社)，2008.
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