光谱学与光谱分析 |
|
|
|
|
|
Water Quality Analysis by Three-Dimensional Fluorescence Spectra Based on Selective Model Combination |
WU Xiao-li1, LI Yan-jun2, WU Tie-jun3* |
1. Zhejiang University of Science and Technology, Hangzhou 310023, China 2. City College, Zhejiang University, Hangzhou 310015, China 3. State Key Laboratory of Industrial Control Technology, Zhejiang University, Hangzhou 310027, China |
|
|
Abstract A selective model combination method is proposed in this paper to improve the precision of water quality analysis with three dimensional fluorescence spectra. A correlation coefficient criterion was designed to select effective excitation wavelengths for sub-models building, based on which the ridge regression method was adopted to combine the selected sub-models to get the stacked model. Thirty two samples from surface water and urban wastewater were used as research objects with total organic carbon (TOC) index from 3.41 to 125.35 mg·L-1, and chemical oxygen demand (COD) index from 22.80 to 330.60 mg·L-1, and 10 excitation wavelengths in the range of 220-400 nm were adopted to generate three dimensional fluorescence spectra. Following the proposed correlation coefficient criterion, the excitation wavelengths of 260, 280 and 400 nm, and the excitation wavelengths of 220, 280 and 400 nm were selected respectively for TOC analysis and COD analysis, based on which two stacked models were built by using partial least square regression method for sub-models building and ridge regression method for sub-models combination. The experimental results show that, compared with the sub-models with the best prediction precision, the root mean square errors of prediction (RMSEP) of the stacked models decreased by 15.4% for TOC analysis, and 17.5% for COD analysis; and compared with the models without sub-models selection, the RMSEP of the stacked models decreased by 6.1% for TOC analysis and 10.9% for COD analysis.
|
Received: 2009-05-20
Accepted: 2009-08-18
|
|
Corresponding Authors:
WU Tie-jun
E-mail: tjwu@zju.edu.cn
|
|
[1] LI Hong-bin, LIU Wen-qing, ZHANG Yu-jun, et al(李宏斌, 刘文清, 张玉筠,等). Optical Technology(光学技术), 2006, 32(1): 27. [2] Henderson R K, Baker A, Murphy K R, et al. Water Research, 2009, 43: 863. [3] Baker A. Environmental Science and Technology, 2001, 35(5): 948. [4] SIMA Wei-chang, ZHANG Yu-jun, WANG Zhi-gang, et al(司马伟昌, 张玉筠,王志刚,等). Spectroscopy and Spectral Analysis(光谱学与光谱分析), 2008, 28(1): 165. [5] Baker A, Inverarity R. Hydrological Processes,2004, 18(15): 2927. [6] Lee S, Ahn K H. Water Science and Technology,2004, 50(8): 57. [7] CHEN Mao-fu, WU Jing, Lü Yan-li, et al(陈茂福,吴 静,律严励,等). Acta Optica Sinica(光学学报),2008,28(3):578. [8] Marhaba T F, Bengraine K, Pu Y, et al. Journal of Hazardous Materials, 2003, B97: 83. [9] FU Ping-qing, WU Feng-chang, LIU Cong-qiang, et al(傅平青,吴丰昌,刘丛强,等). Oceanologia Et Limnologia Sinica(海洋与湖沼),2007,38(6):512. [10] WU Xiao-li, LI Yan-jun, WU Tie-jun(武晓莉, 李艳君,吴铁军). Chinese Journal of Analytical Chemistry(分析化学), 2007, 35(12): 1716. [11] Wolpert D. Neural Networks, 1992, 5: 241. [12] Breiman L. Machine Learning, 1996, 24: 49. [13] XIA Lu-yue, YU Li(夏陆岳, 俞 立). Journal of Chemical Industry and Engineering(化工学报), 2008, 59(7): 1631. [14] Guyon J, Elisseeff A. Journal of Machine Learning Research, 2003, 3: 1157. [15] Zepp R G, Sheldon W M, Moran M A. Marine Chemistry,2004, 89: 15. [16] XU Jin-gou, WANG Zun-ben(许金钩, 王尊本). Fluorescence Analysis Method(Third Edition)(荧光分析法,第3版). Beijing: Science Press(北京:科学出版社), 2006. [17] LIANG Yi-zeng, YU Ru-qin(梁逸增, 俞汝勤). Chemometrics(化学计量学). Beijing: Higher Education Press(北京:高等教育出版社), 2003. [18] Blanco M, Coello J, Iturriaga H. Chemometrics and Intelligent Laboratory Systems, 2000, 50: 75.
|
[1] |
LEI Hong-jun1, YANG Guang1, PAN Hong-wei1*, WANG Yi-fei1, YI Jun2, WANG Ke-ke2, WANG Guo-hao2, TONG Wen-bin1, SHI Li-li1. Influence of Hydrochemical Ions on Three-Dimensional Fluorescence
Spectrum of Dissolved Organic Matter in the Water Environment
and the Proposed Classification Pretreatment Method[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 134-140. |
[2] |
GU Yi-lu1, 2,PEI Jing-cheng1, 2*,ZHANG Yu-hui1, 2,YIN Xi-yan1, 2,YU Min-da1, 2, LAI Xiao-jing1, 2. Gemological and Spectral Characterization of Yellowish Green Apatite From Mexico[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 181-187. |
[3] |
SONG Yi-ming1, 2, SHEN Jian1, 2, LIU Chuan-yang1, 2, XIONG Qiu-ran1, 2, CHENG Cheng1, 2, CHAI Yi-di2, WANG Shi-feng2,WU Jing1, 2*. Fluorescence Quantum Yield and Fluorescence Lifetime of Indole, 3-Methylindole and L-Tryptophan[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3758-3762. |
[4] |
YANG Ke-li1, 2, PENG Jiao-yu1, 2, DONG Ya-ping1, 2*, LIU Xin1, 2, LI Wu1, 3, LIU Hai-ning1, 3. Spectroscopic Characterization of Dissolved Organic Matter Isolated From Solar Pond[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3775-3780. |
[5] |
XUE Fang-jia, YU Jie*, YIN Hang, XIA Qi-yu, SHI Jie-gen, HOU Di-bo, HUANG Ping-jie, ZHANG Guang-xin. A Time Series Double Threshold Method for Pollution Events Detection in Drinking Water Using Three-Dimensional Fluorescence Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(10): 3081-3088. |
[6] |
JIA Yu-ge1, YANG Ming-xing1, 2*, YOU Bo-ya1, YU Ke-ye1. Gemological and Spectroscopic Identification Characteristics of Frozen Jelly-Filled Turquoise and Its Raw Material[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(09): 2974-2982. |
[7] |
YANG Xin1, 2, XIA Min1, 2, YE Yin1, 2*, WANG Jing1, 2. Spatiotemporal Distribution Characteristics of Dissolved Organic Matter Spectrum in the Agricultural Watershed of Dianbu River[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(09): 2983-2988. |
[8] |
ZHU Yan-ping1, CUI Chuan-jin1*, CHENG Peng-fei1, 2, PAN Jin-yan1, SU Hao1, 2, ZHANG Yi1. Measurement of Oil Pollutants by Three-Dimensional Fluorescence
Spectroscopy Combined With BP Neural Network and SWATLD[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(08): 2467-2475. |
[9] |
QIU Cun-pu1, 2, TANG Xiao-xue2, WEN Xi-xian4, MA Xin-ling2, 3, XIA Ming-ming2, 3, LI Zhong-pei2, 3, WU Meng2, 3, LI Gui-long2, 3, LIU Kai2, 3, LIU Kai-li4, LIU Ming2, 3*. Effects of Calcium Salts on the Decomposition Process of Straw and the Characteristics of Three-Dimensional Excitation-Emission Matrices of the Dissolved Organic Matter in Decomposition Products[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(07): 2301-2307. |
[10] |
SHI Chuan-qi1, LI Yan2, HU Yu3, YU Shao-peng1*, JIN Liang2, CHEN Mei-ru1. Fluorescence Spectral Characteristics of Soil Dissolved Organic Matter in the River Wetland of Northern Cold Region, China[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(05): 1517-1523. |
[11] |
LI Yuan-jing1, 2, CHEN Cai-yun-fei1, 2, LI Li-ping1, 2*. Spectroscopy Study of γ-Ray Irradiated Gray Akoya Pearls[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(04): 1056-1062. |
[12] |
LIU Xia-yan1, CAO Hao-xuan1, MIAO Chuang-he1, LI Li-jun2, ZHOU Hu1, LÜ Yi-zhong1*. Three-Dimensional Fluorescence Spectra of Dissolved Organic Matter in Fluvo-Aquic Soil Profile Under Long-Term Composting Treatment[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(03): 674-684. |
[13] |
LI Wen, CHEN Yin-yin*, LUO Xue-ke, HE Na. Research on Testing NH3-N and COD in Water Quality Based on
Continuous Spectroscopy Method[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(01): 254-259. |
[14] |
LI Qing-bo1, BI Zhi-qi1, CUI Hou-xin2, LANG Jia-ye2, SHEN Zhong-kai2. Detection of Total Organic Carbon in Surface Water Based on UV-Vis Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(11): 3423-3427. |
[15] |
LÜ Yang1, PEI Jing-cheng1*, ZHANG Yu-yang2. Chemical Composition and Spectra Characteristics of Hydrothermal Synthetic Sapphire[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(11): 3546-3551. |
|
|
|
|