Abstract
［Objective］ Combining convolutional neural networks and terahertz time -domain spectroscopy for quantitative analysis of the illegal additive melamine in milk powder.［Methods］ The terahertz absorption spectra of melamine,milk powder both individually and in mixtures were measured using a transmission -type terahertz time -domain spectroscopy system.Various methods such as Savitzky -Golay (S-G) smoothing,Gaussian smoothing,moving average,and R -Loess smoothing were employed to correct the original spectral data.A partial least squares (PLS) regression model was established,and the optimal terahertz spectroscopic correction preprocessing method was determined by comparing model evaluation criteria.The PLS model corrected with S -G smoothing was chosen for the quantitative analysis of the mixed samples.Quantitative regression models based on partial least squares (PLS),least squares support vector machine (LS-SVM ),backpropagation neural network (BPNN ),and convolutional neural network (CNN ) were separately established,and the content of melamine in the mixed samples was predicted.［Results］］ The correlation coefficients of the prediction set for the PLS,LS-SVM,BPNN,and CNN models were 0.997 1,0.997 7,0.998 1,and 0.998 7,respectively,with prediction set root mean square errors of 0.551%,0.494%,0.437%,and 0.374%,respectively.［Conclusion］ Compared to the other three models,the CNN regression model has the highest prediction accuracy and is more suitable for accurately detecting the content of melamine in milk powder.
Publication Date
2-18-2025
First Page
41
Last Page
46
DOI
10.13652/j.spjx.1003.5788.2024.80051
Recommended Citation
Yangshuo, LIU; Fang, YAN; Wenwen, LI; and Yiheng, GUO
(2025)
"Quantitative analysis of melamine in terahertz spectra based on convolutional neural network,"
Food and Machinery: Vol. 40:
Iss.
11, Article 6.
DOI: 10.13652/j.spjx.1003.5788.2024.80051
Available at:
https://www.ifoodmm.cn/journal/vol40/iss11/6
References
[1] 吕铷麟,何洪源,贾镇,等.食品中三聚氰胺的光谱检测与分析技术研究进展 [J].光谱学与光谱分析,2022,42(7):1 999-2 006.LU R L,HE H Y,JIA Z,et al.Research progress on spectral detection and analysis techniques of melamine in food [J].Spectroscopy and Spectral Analysis,2022,42(7):1 999-2 006.
[2] 伍依琪,梁志森,陈玉珍,等.高效液相色谱法同时测定保健食品中 6种黄酮类化合物 [J].食品与机械,2022,38(8):70-75.WU Y Q,LIANG Z S,CHEN Y Z,et al.Simultaneous determination of six flavonoid compounds in health foods by high performance liquid chromatography [J].Food & Machinery,2022,38(8):70-75.
[3] 边海涛,张雨萌,勇艳华,等.高效液相色谱—串联质谱法快速测定保健食品中 4种降血糖类药物 [J].食品与机械,2022,38(2):46-50,87.BIAN H T,ZHANG Y M,YONG Y H,et al.Rapid determination of four hypoglycemic drugs in health foods by high performance liquid chromatography-tandem mass spectrometry [J].Food & Machinery,2022,38(2):46-50,87.
[4] 徐志飞,吴宇伉,蒋瑜宏,等.气相色谱质谱联用法测定白酒中4类风味物质 [J].食品与机械,2022,38(11):76-81,124.XU Z F,WU Y K,JIANG Y H,et al.Determination of four types of flavor substances in Baijiu by gas chromatography-mass spectrometry [J].Food & Machinery,2022,38(11):76-81,124.
[5] HUANG S T,DENG H X,WEI X,et al.Progress in application of terahertz time-domain spectroscopy for pharmaceutical analyses [J].Frontiers in Bioengineering and Biotechnology,2023,11:1219042.
[6] DATTA S,PRASERTSUK K,KHAMMATE N,et al.Terahertz spectroscopic analysis of lactose in infant formula:implications for detection and quantification [J].Molecules,2022,27(15):5 040.
[7] 胡军,刘燕德,孙旭东,等.基于 BP神经网络的太赫兹时域光谱对面粉中苯甲酸的定量检测研究 [J].激光与光电子学进展,2020,57(7):302-308.HU J,LIU Y D,SUN X D,et al.Quantitative detection of benzoic acid in flour based on BP neural network and terahertz time-domain spectroscopy [J].Progress in Laser and Optoelectronics,2020,57(7):302-308.
[8] 郭以恒,燕芳,赵渺钰,等.基于太赫兹光谱的三聚氰胺定量分析 [J].光学学报,2023,43(19):297-303.GUO Y H,YAN F,ZHAO M Y,et al.Quantitative analysis of melamine based on terahertz spectroscopy [J].Acta Optica Sinica,2023,43(19):297-303.
[9] 马卿效,李春,李天莹,等.基于太赫兹光谱和机器学习算法的二元及三元混合物定量分析 [J].激光与光电子学进展,2022,59(19):370-375.MA Q X,LI C,LI T Y,et al.Quantitative analysis of binary and ternary mixtures based on terahertz spectroscopy and machine learning algorithms [J].Progress in Laser and Optoelectronics,2022,59(19):370-375.
[10] SUN X,LIU J,ZHU K,et al.Generalized regression neural network association with terahertz spectroscopy for quantitative analysis of benzoic acid additive in wheat flour [J].R Soc Open Sci,2019,6(7):190485.
[11] DORNEY T D,BARANIUK R G,MITTLEMAN D M.Material parameter estimation with terahertz time domain spectroscopy [J].Journal of the Optical Society of America A,2001,8(7):1 562-1 571.[12] DUVILLARET L,GARET F,COUTAZ J L.Highly precise determination of optical constants and sample thickness in terahertz time-domain spectroscopy [J].Applied Optics,1999,38(2):409-415.
[13] 于洋,张朝晖,赵小燕,等.表面粗糙样品的太赫兹光谱参数提取方法研究 [J].光谱学与光谱分析,2022,42(2):386-391.YU Y,ZHANG Z H,ZHAO X Y,et al.Research on terahertz spectral parameter extraction method for surface rough samples[J].Spectroscopy and Spectral Analysis,2022,42(2):386-391.
[14] 胡军,徐振,李茂鹏,等.基于神经网络算法与太赫兹光谱检测技术的奶粉三聚氰胺含量测定 [J].激光与光电子学进展,2020,57(22):370-377.HU J,XU Z,LI M P,et al.Determination of melamine content in milk powder based on neural network algorithm and terahertz spectroscopy detection [J].Progress in Laser and Optoelectronics,2020,57(22):370-377.
[15] 宁鸿章,谭鑫,李宇航,等.空—谱维联合 Savitzky-Golay 高光谱滤波算法及其应用 [J].光谱学与光谱分析,2020,40(12):3 699-3 704.NING H Z,TAN X,LI Y H,et al.Spatial-spectral joint Savitzky-Golay hyperspectral filtering algorithm and its application [J].Spectroscopy and Spectral Analysis,2020,40(12):3 699-3 704.
[16] SAEED A,HAMIDZADEH R M.Robust data smoothing algorithms and wavelet filter for denoising sonic log signals [J].Journal of Applied Geophysics,2022,206:104836.
[17] FU H Y,GUO J W,YU Y J,et al.A simple multi-scale Gaussian smoothing-based strategy for automatic chromatographic peak extraction [J].Journal of Chromatography A,2016,1 452:1-9.
[18] AL-MBAIDEEN A A.Application of moving average filter for the quantitative analysis of the NIR spectra [J].Journal of Analytical Chemistry,2019,74(7):686-692.
[19] 李扬.最小二乘法、ε-支持向量回归机与最小二乘支持向量回归机的对比研究 [D].上海:华东师范大学,2019:8-13.LI Y.Least squares method ε-comparative study of support vector regression machine and least squares support vector regression machine [D].Shanghai:East China Normal University,2019:8-13.
[20] DAN S.NIR spectroscopy fruit quality detection algorithm based on the least angle regression model [J].International Journal of High Performance Systems Architecture,2020,9(2/3):128-135.
[21] MA Q X,TENG Y,LI C,et al.Simultaneous quantitative determination of low-concentration ternary pesticide mixtures in wheat flour based on terahertz spectroscopy and BPNN [J].Food Chemistry,2022,377:132030.
[22] 王璨,武新慧,李恋卿,等.卷积神经网络用于近红外光谱预测土壤含水率 [J].光谱学与光谱分析,2018,38(1):36-41.WANG C,WU X H,LI L Q,et al.Convolutional neural network for near-infrared spectroscopy prediction of soil moisture content [J].Spectroscopy and Spectral Analysis,2018,38(1):36-41.