• Spectroscopy and Spectral Analysis
  • Vol. 41, Issue 12, 3922 (2021)
Jia-cheng LIU1、*, Bing-liang HU1、1;, Tao YU1、1; *;, Xue-ji WANG1、1;, Jian DU1、1;, Hong LIU1、1;, Xiao LIU1、1;, and Qi-xing HUANG3、3;
Author Affiliations
  • 11. Key Laboratory of Spectral Imaging Technique, Xi’an Institute of Optics and Precision Mechanics, Chinese Academy of Sciences, Xi’an 710119, China
  • 33. Shenzhen Yantian Port Group Co., Ltd., Shenzhen 518081, China
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    DOI: 10.3964/j.issn.1000-0593(2021)12-3922-09 Cite this Article
    Jia-cheng LIU, Bing-liang HU, Tao YU, Xue-ji WANG, Jian DU, Hong LIU, Xiao LIU, Qi-xing HUANG. Nonlinear Full-Spectrum Quantitative Analysis Algorithm of Complex Water Based on IERT[J]. Spectroscopy and Spectral Analysis, 2021, 41(12): 3922 Copy Citation Text show less
    Flowchart of IERT algorithm
    Fig. 1. Flowchart of IERT algorithm
    Flowchart of KPCA algorithm
    Fig. 2. Flowchart of KPCA algorithm
    Schematic diagram of experimental device
    Fig. 3. Schematic diagram of experimental device
    Flowchart of extremely randomize trees algorithm
    Fig. 4. Flowchart of extremely randomize trees algorithm
    Model diagram and physical diagram of the spectrometer
    Fig. 5. Model diagram and physical diagram of the spectrometer
    Transmission spectra of multi-component mixed solutions
    Fig. 6. Transmission spectra of multi-component mixed solutions
    Test set experimental results of IERT algorithm for COD, BOD5, TOC multi-component mixed solutions(a): Comparison of the true value and the prediction value of COD;(b): Comparison of the true value and the prediction value of BOD5;(c): Comparison of the true value and the prediction value of TOC;(d): Relative error of COD prediction value; (e): Relative error of BOD5 prediction value;(f): Relative error of TOC prediction value
    Fig. 7. Test set experimental results of IERT algorithm for COD, BOD5, TOC multi-component mixed solutions
    (a): Comparison of the true value and the prediction value of COD;(b): Comparison of the true value and the prediction value of BOD5;(c): Comparison of the true value and the prediction value of TOC;(d): Relative error of COD prediction value; (e): Relative error of BOD5 prediction value;(f): Relative error of TOC prediction value
    组分COD/
    (mg·L-1)
    BOD5/
    (mg·L-1)
    TOC/
    (mg·L-1)
    最小值0.300.1
    下四分位数3.952.781.58
    上四分位数146.85.6
    最大值209.78
    平均数9.574.933.83
    标准偏差5.812.572.32
    Table 1. The sample characteristics table of multi-component mixed solution dataset of COD, BOD5 and TOC
    组分NO3-N/
    (mg·L-1)
    浊度/
    (mg·L-1)
    色度/
    PCU
    最小值70.57
    下四分位数91.59
    上四分位数14413
    最大值15515
    平均数11.432.710.76
    标准偏差2.741.522.43
    Table 2. The sample characteristics table of multi-component mixed solution dataset of NO3-N, turbidity and colority
    核函数linearpolynomialrbfcosinesigmoid
    R2(COD)0.970 90.973 40.951 60.944 60.969 0
    R2(BOD5)0.372 30.383 50.328 00.413 20.408 6
    R2(TOC)0.970 50.974 80.958 40.948 40.968 6
    R2(ave)0.771 20.777 20.746 00.768 70.782 1
    Table 3. Experimental results of IERT algorithm using different kernel functions
    n2345678910
    R2(COD)0.998 40.999 10.999 10.999 30.998 90.998 90.999 30.999 20.998 9
    R2(BOD5)0.970 10.984 10.985 10.990 30.982 80.985 10.985 20.970 10.970 9
    R2(TOC)0.998 60.999 10.998 90.999 20.998 90.999 20.999 30.999 00.999 1
    R2(ave)0.989 00.994 10.994 40.996 30.993 50.994 40.994 60.989 40.989 6
    Table 4. The experimental results of the sigmoid kernel function when the number of principal components is selected as n
    c012345678910
    R2(COD)0.999 20.999 30.999 10.999 00.999 30.999 40.999 30.999 30.999 40.999 30.999 3
    R2(BOD5)0.988 20.988 40.987 10.989 70.990 30.988 70.991 40.988 80.988 20.989 90.988 8
    R2(TOC)0.999 30.999 30.998 90.999 20.999 30.999 30.999 30.999 20.999 30.999 30.999 1
    R2(ave)0.995 60.995 70.995 00.996 00.996 30.995 80.996 70.995 80.995 60.996 20.995 7
    Table 5. Experimental results of sigmoid kernel function under different parameters c
    m205080120150180220250280320350
    R2(COD)0.998 60.999 20.999 20.999 60.999 20.999 40.999 40.999 30.999 50.999 30.999 5
    R2(BOD5)0.980 10.984 80.989 30.987 30.986 90.988 80.985 80.989 80.988 00.991 40.990 8
    R2(TOC)0.999 10.998 90.999 10.999 10.999 30.999 30.999 50.999 20.999 30.999 30.999 3
    R2(ave)0.992 60.994 30.995 90.995 30.995 10.995 80.994 90.996 10.995 60.996 70.996 5
    m380420450480520550580620650680720
    R2(COD)0.999 10.999 30.999 40.999 40.999 30.999 30.999 40.999 30.999 20.999 20.999 3
    R2(BOD5)0.988 00.990 10.990 40.990 00.987 80.988 60.987 70.990 00.990 20.989 30.989 3
    R2(TOC)0.999 30.999 20.999 30.999 20.999 20.999 10.999 00.999 20.999 30.999 30.999 3
    R2(ave)0.995 50.996 20.996 40.996 20.995 40.995 70.995 40.996 20.996 20.995 90.996 0
    Table 6. Experimental results of IERT algorithm under different parameters m
    评价标准指标PLSSVRDTERTIERT
    COD0.918 50.907 30.968 20.998 60.999 3
    R2BOD50.057 70.126 80.358 20.900 80.991 4
    TOC0.918 90.935 20.965 10.998 10.999 3
    COD2.866 83.262 41.118 30.046 60.024 4
    RMSEBOD56.316 15.852 84.301 80.664 80.057 7
    TOC0.453 80.362 20.195 00.010 60.000 4
    Table 7. Comparison of evaluation parameters between IERT algorithm and 4 prediction algorithms for COD, BOD5, TOC multi-component mixed solutions
    评价标准指标PLSSVRDTERTIERT
    NO3-N0.244 70.528 40.913 00.938 00.983 4
    R2浊度0.005 00.163 60.448 00.731 70.868 4
    色度0.622 00.671 60.933 50.961 00.981 0
    NO3-N4.571 42.854 60.526 30.375 00.100 5
    RMSE浊度2.466 92.073 41.368 40.665 20.326 4
    色度2.392 62.079 00.421 10.246 60.120 2
    Table 8. Comparison of evaluation parameters between IERT algorithm and 4 prediction algorithms for NO3-N, turbidity, colority multi-component mixed solutions
    算法PLSSVRDTERTIERT
    混合数据集1计算时间/s3.13.23.53.84.3
    混合数据集2计算时间/s33.13.13.64.1
    Table 9. Comparison of calculation time between IERT algorithm and 4 prediction algorithms
    Jia-cheng LIU, Bing-liang HU, Tao YU, Xue-ji WANG, Jian DU, Hong LIU, Xiao LIU, Qi-xing HUANG. Nonlinear Full-Spectrum Quantitative Analysis Algorithm of Complex Water Based on IERT[J]. Spectroscopy and Spectral Analysis, 2021, 41(12): 3922
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