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利用Boruta和深度信念网络,可见-近红外光谱法测定不同品种有机肥料中重金属含量的潜力

Potential of Vis-NIR to measure heavy metals in different varieties of organic-fertilizers using Boruta and deep belief network.

作者信息

Guindo Mahamed Lamine, Kabir Muhammad Hilal, Chen Rongqin, Liu Fei

机构信息

College of Biosystems Engineering and Food Science, Zhejiang University, 866 Yuhangtang Road, Hangzhou 310058, PR China.

College of Biosystems Engineering and Food Science, Zhejiang University, 866 Yuhangtang Road, Hangzhou 310058, PR China; Key Laboratory of Spectroscopy Sensing, Ministry of Agriculture and Rural Affairs, Hangzhou 310058, PR China.

出版信息

Ecotoxicol Environ Saf. 2021 Nov 20;228:112996. doi: 10.1016/j.ecoenv.2021.112996.

Abstract

The quick identification of heavy metals is of major importance and is beneficial for controlling the fertilizer production process in the fertilizer industries. This work aimed to use visible and near-infrared spectroscopy (Vis-NIR), Boruta, and deep learning to establish rapid heavy metals screening methods. Boruta algorithm was used to extract appropriate wavelengths, and a deep belief network (DBN) was computed to determine the amounts of various heavy metals such as chromium (Cr), cadmium (Cd), lead (Pb), and mercury (Hg) for both the entire and selected wavelengths. To assess the model, coefficient of determination (R), root mean squared error (RMSE), and residual prediction deviation (RPD) were used to calculate the reliability of the model. The results of the selected wavelengths were excellent and much higher than the full wavelengths with Rp = 0.96, RMSEP = 0.2017 mg kg and RPDpred = 5.0 for Cr; Rp = 0.91, RMSEP = 0.2832 mg kg and RPDpred = 3.4 for Pb; Rp = 0.90, RMSEP = 0.2992 mg kg, and RPDpred = 3.3 for Hg. Descent prediction was obtained also for Cd (Rp = 0.87, RMSEP = 0.3435 mg kg, and RPDpred = 2.7). To further assess the robustness of the DBN, it was compared with conventional machine learning methods such as support vector machine for regression (SVR), k nearest neighbor (KNN), and partial least squares (PLS). The overall results indicated that the Vis-NIR technique coupled with Boruta and DBN could be reliable and accurate for screening heavy metals in organic fertilizers.

摘要

快速识别重金属至关重要,有利于控制肥料行业的肥料生产过程。这项工作旨在利用可见和近红外光谱(Vis-NIR)、Boruta算法和深度学习来建立快速重金属筛选方法。使用Boruta算法提取合适的波长,并计算深度信念网络(DBN)以确定整个波长和选定波长下各种重金属(如铬(Cr)、镉(Cd)、铅(Pb)和汞(Hg))的含量。为了评估模型,使用决定系数(R)、均方根误差(RMSE)和残差预测偏差(RPD)来计算模型的可靠性。选定波长的结果非常出色,远高于全波长,铬的Rp = 0.96、RMSEP = 0.2017 mg/kg和RPDpred = 5.0;铅的Rp = 0.91、RMSEP = 0.2832 mg/kg和RPDpred = 3.4;汞的Rp = 0.90、RMSEP = 0.2992 mg/kg和RPDpred = 3.3。镉也得到了良好的预测结果(Rp = 0.87、RMSEP = 0.3435 mg/kg和RPDpred = 2.7)。为了进一步评估DBN的稳健性,将其与传统机器学习方法(如支持向量机回归(SVR)、k近邻(KNN)和偏最小二乘法(PLS))进行了比较。总体结果表明,Vis-NIR技术与Boruta和DBN相结合可可靠、准确地筛选有机肥料中的重金属。

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