| 光谱学与光谱分析 |
|
|
|
|
|
| Variable Selection Methods Combined with Local Linear Embedding Theory Used for Optimization of Near Infrared Spectral Quantitative Models |
| HAO Yong1, SUN Xu-dong1, YANG Qiang2 |
1. College of Machanical and Electronic Engineering, East China Jiaotong University, Nanchang 330013, China
2. College of Machanical and Electronic Engineering, Rizhao Polytechnic, Rizhao 276826, China |
|
|
|
|
Abstract Variables selection strategy combined with local linear embedding (LLE) was introduced for the analysis of complex samples by using near infrared spectroscopy (NIRS). Three methods include monte carlo uninformation variable elimination (MCUVE), successive projections algorithm (SPA) and MCUVE connected with SPA were used for eliminating redundancy spectral variables. Partial least squares regression (PLSR) and LLE-PLSR were used for modeling complex samples. The results shown that MCUVE can both extract effective informative variables and improve the precision of models. Compared with PLSR models, LLE-PLSR models can achieve more accurate analysis results. MCUVE combined with LLE-PLSR is an effective modeling method for NIRS quantitative analysis.
|
|
Received: 2012-06-26
Accepted: 2012-09-10
|
|
|
|
Corresponding Authors:
HAO Yong
E-mail: haonm@163.com
|
|
[1] Gaydou V, Kister J, Dupuy N. Chemometrics and Intelligent Laboratory Systems, 2011, 106(2): 190.
[2] Yan Hui, Han Bangxing, Wu Qiongying, et al. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2011, 79(1): 179.
[3] Lidia Esteve Agelet, David D Ellis, Susan Duvick, et al. Journal of Cereal Science, 2012, 55(2): 160.
[4] Liao Yitao, Fan Yuxia, Cheng Fang. Journal of Food Engineering, 2012, 109(4): 668.
[5] Shen Fei, Ying Yibing, Li Bobin, et al. Food Research International, 2011, 44(5): 1521.
[6] Sinelli N, Casiraghi E, Barzaghi S, et al. Food Research International, 2011, 44(5): 1427.
[7] Asmund Rinnan, Frans van den Berg, Soren Balling Engelsen. Trends in Analytical Chemistry, 2009, 28(10): 1201.
[8] Cai Chenbo, Yang Hongwei, Wang Bo, et al. Vibrational Spectroscopy, 2011, 56(2), 202.
[9] Mohammadreza Khanmohammadi, Amir Bagheri Garmarudi, Nafiseh Khoddami, et al. Mirochemical Journal, 2010, 95(2): 337.
[10] Han Qingjuan, Wu Hailong, Cai Chenbo, et al. Analytica Chimica Acta, 2008, 612(2): 121.
[11] Cai Wensheng, Li Yankun, Shao Xueguang. Chemometrics and Intelligent Laboratory Systems, 2008, 90(2): 188.
[12] Soares M C U, Galvao R K H, Araujo M C U, et al. Analytica Chimica Acta, 2011, 689(1): 22.
[13] Liu Fei, He Yong. Food Chemistry, 2009, 115(4): 1430.
[14] Hou Chenping, Wang Jing, Wu Yi, et al. Neurocomputing, 2009, 72(12): 2368.
[15] Kalivas J H. Chemometrics and Intelligent Laboratory Systems, 1997, 37(2): 255.
[16] Dyrby M, Engelsen S B,Nrgaard L, et al. Applied Spectroscopy, 2002, 56(5): 579.
[17] Shao Xueguang, Ma Chaoxiong. Chemometrics and Intelligent Laboratory Systems, 2003, 69(1): 157. |
| [1] |
SHI Wen-qiang1, XU Xiu-ying1*, ZHANG Wei1, ZHANG Ping2, SUN Hai-tian1, 3, HU Jun1. Prediction Model of Soil Moisture Content in Northern Cold Region Based on Near-Infrared Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(06): 1704-1710. |
| [2] |
WANG Xue-pei1, 2, ZHANG Lu-wei1, 2, BAI Xue-bing3, MO Xian-bin1, ZHANG Xiao-shuan1, 2*. Infrared Spectral Characterization of Ultraviolet Ozone Treatment on Substrate Surface for Flexible Electronics[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(06): 1867-1873. |
| [3] |
WANG Yue1, 3, 4, CHEN Nan1, 2, 3, 4, WANG Bo-yu1, 5, LIU Tao1, 3, 4*, XIA Yang1, 2, 3, 4*. Fourier Transform Near-Infrared Spectral System Based on Laser-Driven Plasma Light Source[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(06): 1666-1673. |
| [4] |
FENG Rui-jie1, CHEN Zheng-guang1, 2*, YI Shu-juan3. Identification of Corn Varieties Based on Bayesian Optimization SVM[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(06): 1698-1703. |
| [5] |
YU Zhi-rong, HONG Ming-jian*. Near-Infrared Spectral Quantitative Analysis Network Based on Grouped Fully Connection[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(06): 1735-1740. |
| [6] |
MENG Fan-jia1, LUO Shi1, WU Yue-feng1, SUN Hong1, LIU Fei2, LI Min-zan1*, HUANG Wei3, LI Mu3. Characteristic Extraction Method and Discriminant Model of Ear Rot of Maize Seed Base on NIR Spectra[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(06): 1716-1720. |
| [7] |
PENG Yan-fang1, WANG Jun1, WU Zhi-sheng2*, LIU Xiao-na3, QIAO Yan-jiang2*. NIR Band Assignment of Tanshinone ⅡA and Cryptotanshinone by
2D-COS Technology and Model Application Tanshinone Extract[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(06): 1781-1785. |
| [8] |
WANG Li-qi1, YAO Jing1, WANG Rui-ying1, CHEN Ying-shu1, LUO Shu-nian2, WANG Wei-ning2, ZHANG Yan-rong1*. Research on Detection of Soybean Meal Quality by NIR Based on
PLS-GRNN[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(05): 1433-1438. |
| [9] |
FU Yan-hua1, LIU Jing2*, MAO Ya-chun2, CAO Wang2, HUANG Jia-qi2, ZHAO Zhan-guo3. Experimental Study on Quantitative Inversion Model of Heavy Metals in Soda Saline-Alkali Soil Based on RBF Neural Network[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(05): 1595-1600. |
| [10] |
LI Jia-yi1, YU Mei1, LI Mai-quan1, ZHENG Yu2*, LI Pao1, 3*. Nondestructive Identification of Different Chrysanthemum Varieties Based on Near-Infrared Spectroscopy and Pattern Recognition Methods[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(04): 1129-1133. |
| [11] |
CHEN Chu-han1, ZHONG Yang-sheng2, WANG Xian-yan3, ZHAO Yi-kun1, DAI Fen1*. Feature Selection Algorithm for Identification of Male and Female
Cocoons Based on SVM Bootstrapping Re-Weighted Sampling[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(04): 1173-1178. |
| [12] |
LI Xue-ying1, 2, LI Zong-min3*, CHEN Guang-yuan4, QIU Hui-min2, HOU Guang-li2, FAN Ping-ping2*. Prediction of Tidal Flat Sediment Moisture Content Based on Wavelet Transform[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(04): 1156-1161. |
| [13] |
ZHANG Xiao-hong1, JIANG Xue-song1*, SHEN Fei2*, JIANG Hong-zhe1, ZHOU Hong-ping1, HE Xue-ming2, JIANG Dian-cheng1, ZHANG Yi3. Design of Portable Flour Quality Safety Detector Based on Diffuse
Transmission Near-Infrared Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(04): 1235-1242. |
| [14] |
ZHENG Kai-yi1, ZHANG Wen1, DING Fu-yuan1, ZHOU Chen-guang1, SHI Ji-yong1, Yoshinori Marunaka2, ZOU Xiao-bo1*. Using Ensemble Refinement (ER) Method to OptimizeTransfer Set of Near-Infrared Spectra[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(04): 1323-1328. |
| [15] |
CHENG Jie-hong1, CHEN Zheng-guang1, 2*, YI Shu-juan2. Wavelength Selection Algorithm Based on Minimum Correlation Coefficient for Multivariate Calibration[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(03): 719-725. |
|
|
|
|
