光谱学与光谱分析 |
|
|
|
|
|
Spectral Wavelength Selection Based on PLS Projection Analysis |
DAN Tu-nan,DAI Lian-kui* |
State Key Lab of Industrial Control Technology, Zhejiang University, Hangzhou 310027, China |
|
|
Abstract In order to enhance the prediction accuracy of spectral analysis models and reduce their input number, this paper presents a simple and rapid wavelength selection method based on PLS projection correlation coefficients. These correlation coefficients are decided by both the changes in spectra data and the PLS regression coefficients between spectra matrix and concentration vector. Compared with the traditional wavelength selection method based on correlation analysis, the novel proposed method obviously improves the robustness of spectral analysis models and reduces their input number sharply. Applying the proposed method to 208 gasoline samples, the experimental results show that the number of calibration model input decreases to 30% of the original wavelength number, and the root mean square error of cross validation is reduced from 0.44 to 0.34. This method can be widely used in wavelength selection and data compression in spectral quantitative analysis.
|
Received: 2007-10-05
Accepted: 2008-01-16
|
|
Corresponding Authors:
DAI Lian-kui
E-mail: lkdai@iipc.zju.edu.cn
|
|
[1] LU Wan-zhen, YUAN Hong-fu, XU Guang-tong, et al(陆婉珍, 袁洪福, 徐广通, 等). Modern NIR Infrared Spectroscopy Analytical Technology(现代近红外光谱分析技术). Beijing: China Petrochemistry Press(北京:中国石化出版社), 2000. [2] Thomas E V, Haaland D M. Analytical Chemistry, 1990, 62: 1091. [3] Thomas E V. Analytical Chemistry, 1994, 66: 795A. [4] 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. [5] CHEN Bin, WANG Hao, LIN Song, et al(陈 斌,王 豪,林 松,等). Transactions of the Chinese Society of Agricultural Engineering (农业工程学报), 2005, 21(7): 99. [6] ZHENG Yong-mei, ZHANG Jun, CHEN Xing-dan, et al(郑咏梅,张 军,陈星旦,等). Spectroscopy and Spectral Analysis(光谱学与光谱分析), 2004, 24(6): 675. [7] CHENG Biao, WU Xiao-hua, CHEN De-zhao(成 飙, 吴晓华, 陈德钊). Spectroscopy and Spectral Analysis(光谱学与光谱分析), 2006, 26(10): 1923. [8] Jiang J H, Berry R J, Siesler H W, et al. Analytical Chemistry, 2002, 74: 3555. [9] HAN Yan-zheng, DAI Lian-kui(韩言正, 戴连奎). Control and Instruments in Chemical Industry (化工自动化及仪表), 2005, 32(3): 68. [10] Navea S,Tauler R,de Juan A. Analytical Biochemistry, 2005, 336(2): 231. [11] HOU Zhen-yu, WANG Wei, CAI Wen-sheng, et al(侯振雨,王 伟,蔡文生,等). Computers and Applied Chemistry(计算机与应用化学), 2006, 23(3): 224. |
[1] |
FAN Ping-ping,LI Xue-ying,QIU Hui-min,HOU Guang-li,LIU Yan*. Spectral Analysis of Organic Carbon in Sediments of the Yellow Sea and Bohai Sea by Different Spectrometers[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 52-55. |
[2] |
YANG Chao-pu1, 2, FANG Wen-qing3*, WU Qing-feng3, LI Chun1, LI Xiao-long1. Study on Changes of Blue Light Hazard and Circadian Effect of AMOLED With Age Based on Spectral Analysis[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 36-43. |
[3] |
GAO Feng1, 2, XING Ya-ge3, 4, LUO Hua-ping1, 2, ZHANG Yuan-hua3, 4, GUO Ling3, 4*. Nondestructive Identification of Apricot Varieties Based on Visible/Near Infrared Spectroscopy and Chemometrics Methods[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 44-51. |
[4] |
LIU Jia, ZHENG Ya-long, WANG Cheng-bo, YIN Zuo-wei*, PAN Shao-kui. Spectra Characterization of Diaspore-Sapphire From Hotan, Xinjiang[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 176-180. |
[5] |
BAO Hao1, 2,ZHANG Yan1, 2*. Research on Spectral Feature Band Selection Model Based on Improved Harris Hawk Optimization Algorithm[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 148-157. |
[6] |
YANG Guang1, JIN Chun-bai1, REN Chun-ying2*, LIU Wen-jing1, CHEN Qiang1. Research on Band Selection of Visual Attention Mechanism for Object
Detection[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 266-274. |
[7] |
HE Qing-yuan1, 2, REN Yi1, 2, LIU Jing-hua1, 2, LIU Li1, 2, YANG Hao1, 2, LI Zheng-peng1, 2, ZHAN Qiu-wen1, 2*. Study on Rapid Determination of Qualities of Alfalfa Hay Based on NIRS[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3753-3757. |
[8] |
HU Cai-ping1, HE Cheng-yu2, KONG Li-wei3, ZHU You-you3*, WU Bin4, ZHOU Hao-xiang3, SUN Jun2. Identification of Tea Based on Near-Infrared Spectra and Fuzzy Linear Discriminant QR Analysis[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3802-3805. |
[9] |
LIU Xin-peng1, SUN Xiang-hong2, QIN Yu-hua1*, ZHANG Min1, GONG Hui-li3. Research on t-SNE Similarity Measurement Method Based on Wasserstein Divergence[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3806-3812. |
[10] |
LI Qi-chen1, 2, LI Min-zan1, 2*, YANG Wei2, 3, SUN Hong2, 3, ZHANG Yao1, 3. Quantitative Analysis of Water-Soluble Phosphorous Based on Raman
Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3871-3876. |
[11] |
BAI Xue-bing1, 2, SONG Chang-ze1, ZHANG Qian-wei1, DAI Bin-xiu1, JIN Guo-jie1, 2, LIU Wen-zheng1, TAO Yong-sheng1, 2*. Rapid and Nndestructive Dagnosis Mthod for Posphate Dficiency in “Cabernet Sauvignon” Gape Laves by Vis/NIR Sectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3719-3725. |
[12] |
WANG Qi-biao1, HE Yu-kai1, LUO Yu-shi1, WANG Shu-jun1, XIE Bo2, DENG Chao2*, LIU Yong3, TUO Xian-guo3. Study on Analysis Method of Distiller's Grains Acidity Based on
Convolutional Neural Network and Near Infrared Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3726-3731. |
[13] |
LIANG Jin-xing1, 2, 3, XIN Lei1, CHENG Jing-yao1, ZHOU Jing1, LUO Hang1, 3*. Adaptive Weighted Spectral Reconstruction Method Against
Exposure Variation[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(11): 3330-3338. |
[14] |
LUO Li, WANG Jing-yi, XU Zhao-jun, NA Bin*. Geographic Origin Discrimination of Wood Using NIR Spectroscopy
Combined With Machine Learning Techniques[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(11): 3372-3379. |
[15] |
ZHANG Shu-fang1, LEI Lei2, LEI Shun-xin2, TAN Xue-cai1, LIU Shao-gang1, YAN Jun1*. Traceability of Geographical Origin of Jasmine Based on Near
Infrared Diffuse Reflectance Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(11): 3389-3395. |
|
|
|
|