Nonlinear Full-Spectrum Quantitative Analysis Algorithm of Complex Water Based on IERT

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

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Table 1. The sample characteristics table of multi-component mixed solution dataset of COD, BOD₅ and TOC
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Table 1. The sample characteristics table of multi-component mixed solution dataset of COD, BOD₅ and TOC
组分 COD/
(mg·L^-1) BOD₅/
(mg·L^-1) TOC/
(mg·L^-1)
最小值 0.3 0 0.1
下四分位数 3.95 2.78 1.58
上四分位数 14 6.8 5.6
最大值 20 9.7 8
平均数 9.57 4.93 3.83
标准偏差 5.81 2.57 2.32

Table 2. The sample characteristics table of multi-component mixed solution dataset of NO₃-N, turbidity and colority
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Table 2. The sample characteristics table of multi-component mixed solution dataset of NO₃-N, turbidity and colority
组分 NO₃-N/
(mg·L^-1) 浊度/
(mg·L^-1) 色度/
PCU
最小值 7 0.5 7
下四分位数 9 1.5 9
上四分位数 14 4 13
最大值 15 5 15
平均数 11.43 2.7 10.76
标准偏差 2.74 1.52 2.43

Table 3. Experimental results of IERT algorithm using different kernel functions

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Table 3. Experimental results of IERT algorithm using different kernel functions

核函数	linear	polynomial	rbf	cosine	sigmoid
R²(COD)	0.970 9	0.973 4	0.951 6	0.944 6	0.969 0
R²(BOD₅)	0.372 3	0.383 5	0.328 0	0.413 2	0.408 6
R²(TOC)	0.970 5	0.974 8	0.958 4	0.948 4	0.968 6
R²(ave)	0.771 2	0.777 2	0.746 0	0.768 7	0.782 1

Table 4. The experimental results of the sigmoid kernel function when the number of principal components is selected as n

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Table 4. The experimental results of the sigmoid kernel function when the number of principal components is selected as n

n	2	3	4	5	6	7	8	9	10
R²(COD)	0.998 4	0.999 1	0.999 1	0.999 3	0.998 9	0.998 9	0.999 3	0.999 2	0.998 9
R²(BOD₅)	0.970 1	0.984 1	0.985 1	0.990 3	0.982 8	0.985 1	0.985 2	0.970 1	0.970 9
R²(TOC)	0.998 6	0.999 1	0.998 9	0.999 2	0.998 9	0.999 2	0.999 3	0.999 0	0.999 1
R²(ave)	0.989 0	0.994 1	0.994 4	0.996 3	0.993 5	0.994 4	0.994 6	0.989 4	0.989 6

Table 5. Experimental results of sigmoid kernel function under different parameters c

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Table 5. Experimental results of sigmoid kernel function under different parameters c

c	0	1	2	3	4	5	6	7	8	9	10
R²(COD)	0.999 2	0.999 3	0.999 1	0.999 0	0.999 3	0.999 4	0.999 3	0.999 3	0.999 4	0.999 3	0.999 3
R²(BOD₅)	0.988 2	0.988 4	0.987 1	0.989 7	0.990 3	0.988 7	0.991 4	0.988 8	0.988 2	0.989 9	0.988 8
R²(TOC)	0.999 3	0.999 3	0.998 9	0.999 2	0.999 3	0.999 3	0.999 3	0.999 2	0.999 3	0.999 3	0.999 1
R²(ave)	0.995 6	0.995 7	0.995 0	0.996 0	0.996 3	0.995 8	0.996 7	0.995 8	0.995 6	0.996 2	0.995 7

Table 6. Experimental results of IERT algorithm under different parameters m

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Table 6. Experimental results of IERT algorithm under different parameters m

m	20	50	80	120	150	180	220	250	280	320	350
R²(COD)	0.998 6	0.999 2	0.999 2	0.999 6	0.999 2	0.999 4	0.999 4	0.999 3	0.999 5	0.999 3	0.999 5
R²(BOD₅)	0.980 1	0.984 8	0.989 3	0.987 3	0.986 9	0.988 8	0.985 8	0.989 8	0.988 0	0.991 4	0.990 8
R²(TOC)	0.999 1	0.998 9	0.999 1	0.999 1	0.999 3	0.999 3	0.999 5	0.999 2	0.999 3	0.999 3	0.999 3
R²(ave)	0.992 6	0.994 3	0.995 9	0.995 3	0.995 1	0.995 8	0.994 9	0.996 1	0.995 6	0.996 7	0.996 5
m	380	420	450	480	520	550	580	620	650	680	720
R²(COD)	0.999 1	0.999 3	0.999 4	0.999 4	0.999 3	0.999 3	0.999 4	0.999 3	0.999 2	0.999 2	0.999 3
R²(BOD₅)	0.988 0	0.990 1	0.990 4	0.990 0	0.987 8	0.988 6	0.987 7	0.990 0	0.990 2	0.989 3	0.989 3
R²(TOC)	0.999 3	0.999 2	0.999 3	0.999 2	0.999 2	0.999 1	0.999 0	0.999 2	0.999 3	0.999 3	0.999 3
R²(ave)	0.995 5	0.996 2	0.996 4	0.996 2	0.995 4	0.995 7	0.995 4	0.996 2	0.996 2	0.995 9	0.996 0

Table 7. Comparison of evaluation parameters between IERT algorithm and 4 prediction algorithms for COD, BOD₅, TOC multi-component mixed solutions

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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	PLS	SVR	DT	ERT	IERT
	COD	0.918 5	0.907 3	0.968 2	0.998 6	0.999 3
R²	BOD₅	0.057 7	0.126 8	0.358 2	0.900 8	0.991 4
	TOC	0.918 9	0.935 2	0.965 1	0.998 1	0.999 3
	COD	2.866 8	3.262 4	1.118 3	0.046 6	0.024 4
RMSE	BOD₅	6.316 1	5.852 8	4.301 8	0.664 8	0.057 7
	TOC	0.453 8	0.362 2	0.195 0	0.010 6	0.000 4

Table 8. Comparison of evaluation parameters between IERT algorithm and 4 prediction algorithms for NO₃-N, turbidity, colority multi-component mixed solutions

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Table 8. Comparison of evaluation parameters between IERT algorithm and 4 prediction algorithms for NO₃-N, turbidity, colority multi-component mixed solutions

评价标准	指标	PLS	SVR	DT	ERT	IERT
	NO₃-N	0.244 7	0.528 4	0.913 0	0.938 0	0.983 4
R²	浊度	0.005 0	0.163 6	0.448 0	0.731 7	0.868 4
	色度	0.622 0	0.671 6	0.933 5	0.961 0	0.981 0
	NO₃-N	4.571 4	2.854 6	0.526 3	0.375 0	0.100 5
RMSE	浊度	2.466 9	2.073 4	1.368 4	0.665 2	0.326 4
	色度	2.392 6	2.079 0	0.421 1	0.246 6	0.120 2

Table 9. Comparison of calculation time between IERT algorithm and 4 prediction algorithms
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Table 9. Comparison of calculation time between IERT algorithm and 4 prediction algorithms
算法 PLS SVR DT ERT IERT
混合数据集1计算时间/s 3.1 3.2 3.5 3.8 4.3
混合数据集2计算时间/s 3 3.1 3.1 3.6 4.1

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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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Paper Information

Category: Research Articles

Received: Nov. 3, 2020

Accepted: --

Published Online: Dec. 17, 2021

The Author Email: Jia-cheng LIU (liujiacheng@opt.ac.cn)

DOI:10.3964/j.issn.1000-0593(2021)12-3922-09

Topics

laser devices and laser physics

Lasers and Laser Optics

Laser physics

laser manufacturing

Instrumentation, Measurement and Metrology

Table 1. The sample characteristics table of multi-component mixed solution dataset of COD, BOD5 and TOC

Table 1. The sample characteristics table of multi-component mixed solution dataset of COD, BOD5 and TOC

Table 2. The sample characteristics table of multi-component mixed solution dataset of NO3-N, turbidity and colority

Table 2. The sample characteristics table of multi-component mixed solution dataset of NO3-N, turbidity and colority

Table 3. Experimental results of IERT algorithm using different kernel functions

Table 3. Experimental results of IERT algorithm using different kernel functions

Table 4. The experimental results of the sigmoid kernel function when the number of principal components is selected as n

Table 4. The experimental results of the sigmoid kernel function when the number of principal components is selected as n

Table 5. Experimental results of sigmoid kernel function under different parameters c

Table 5. Experimental results of sigmoid kernel function under different parameters c

Table 6. Experimental results of IERT algorithm under different parameters m

Table 6. Experimental results of IERT algorithm under different parameters m

Table 7. Comparison of evaluation parameters between IERT algorithm and 4 prediction algorithms for COD, BOD5, TOC multi-component mixed solutions

Table 7. Comparison of evaluation parameters between IERT algorithm and 4 prediction algorithms for COD, BOD5, TOC multi-component mixed solutions

Table 8. Comparison of evaluation parameters between IERT algorithm and 4 prediction algorithms for NO3-N, turbidity, colority multi-component mixed solutions

Table 8. Comparison of evaluation parameters between IERT algorithm and 4 prediction algorithms for NO3-N, turbidity, colority multi-component mixed solutions

Table 9. Comparison of calculation time between IERT algorithm and 4 prediction algorithms

Table 9. Comparison of calculation time between IERT algorithm and 4 prediction algorithms

Table 1. The sample characteristics table of multi-component mixed solution dataset of COD, BOD₅ and TOC

Table 1. The sample characteristics table of multi-component mixed solution dataset of COD, BOD₅ and TOC

Table 2. The sample characteristics table of multi-component mixed solution dataset of NO₃-N, turbidity and colority

Table 2. The sample characteristics table of multi-component mixed solution dataset of NO₃-N, turbidity and colority

Table 7. Comparison of evaluation parameters between IERT algorithm and 4 prediction algorithms for COD, BOD₅, TOC multi-component mixed solutions

Table 7. Comparison of evaluation parameters between IERT algorithm and 4 prediction algorithms for COD, BOD₅, TOC multi-component mixed solutions

Table 8. Comparison of evaluation parameters between IERT algorithm and 4 prediction algorithms for NO₃-N, turbidity, colority multi-component mixed solutions

Table 8. Comparison of evaluation parameters between IERT algorithm and 4 prediction algorithms for NO₃-N, turbidity, colority multi-component mixed solutions