1. College of Science, China Agricultural University,Beijing 100094, China 2. College of Information, China Agricultural University,Beijing 100094, China
Abstract:This paper introduced the application of support vector machines(SVM) regression method based on statistics study theory to the quantitative analysis with near-infrared (NIR) spectroscopy. Sixty-six wheat samples were used as experimental materials, and thirty-three of them were used as calibration samples. The protein contents and NIR spectra of the calibration samples were used to build SVM regression models by four different kernel functions. The protein content of the predicting samples are estimated by four different SVM regression models. All of the correlation coefficients between the estimated values by different SVM regression models and the standard chemical values of protein content by Kjeldahl’s method are more than 0.97. The average absolute error is less than 0.32. To investigate the predicting effect, it is compared with PLS regression models. The result suggested that the SVM regression, which was built to estimate the protein content of wheat samples, can also be used in the quantitative analysis of real samples by NIR.
[1] TIAN Di,JIN Qin-han(田 地,金钦汉). Analysis Instrument(分析仪器),2001,(3):39. [2] LU Wan-zhen, YUAN Hong-fu, XU Guang-tong,QIANG Dong-mei(陆婉珍, 袁洪福, 徐广通, 强冬梅). Technology of Modern NIR Spectral Analysis(现代近红外光谱分析技术). Beijing: China Petroleum Publishing House(北京:中国石油出版社), 2000. 4. [3] YAN Yan-lu, ZHAO Long-lian, YANG Shu-ming, et al(严衍禄,赵龙莲,杨曙明,等). Foundation of NIR Spectral Analysis and Its Application(近红外光谱分析基础与应用). Beijing: Light Industry Publishing House(北京:中国轻工业出版社),2005. [4] XU Guang-tong, YUAN Hong-fu,LU Wan-zhen(徐广通,袁洪福,陆婉珍). Spectroscopy and Spectral Analysis(光谱学与光谱分析), 2000,20(2):134. [5] SHI Yong-gang,FENG Xin-lu,LI Zi-cun,et al(史永刚, 冯新泸, 李子存, 等). Chinese Journal of Spectroscopy Laboratory(光谱实验室),2002,19(2):201. [6] YU Ru-qin(俞汝勤著). Introduction to Chemometrics(化学计量学导论). Changsha: Hunan Education Publishing House(长沙:湖南教育出版社),1991. 5. [7] REN Rui-xue, TANG Zhen, LIU Fu-qiang, GOU Yu-hui,REN Yu-lin(任瑞雪, 汤 真, 刘福强, 苟玉彗, 任玉林). Spectroscopy and Spectral Analysis(光谱学与光谱分析),2001,21(4):521. [8] Vapnik V N. The Nature of Statistical Learning Theory. NY: Springer-Verlag, 1995. [9] WANG Duo-jia, ZHOU Xiang-yang, JIN Tong-ming, et al(王多加,周向阳,金同铭,等). Spectroscopy and Spectral Analysis(光谱学与光谱分析),2004,24(4):447.