A non-standard-substance pesticide residue qualitative analysis method based on SVM

Yi Chen, Rui Wang, Hongqian Chen
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引用次数: 2

Abstract

Currently, most pesticide residue analysis methods are based on mass spectrometry instruments, such as Gas Chromatography-Mass Spectrometry (GC-MS) analyzers. However, using these methods, user has to send the chemical standard-substances (pure pesticides) and the samples needed checking simultaneously in order to detect the pesticide residues in foods and agricultural products. Support Vector Machines (SVM) is a statistical learning method based on small-sample set. It has the advantages in solving the small-sample set, nonlinear and high dimension problems and is widely used in classification. A non-standard-substance pesticide residue qualitative analysis method (NSS-QAM) is presented in this paper. NSS-QAM transforms qualitative analysis problem into a problem of classification of pesticide residues based on SVM and existing official standards for pesticide residue detection and experiment results. NSS-QAM is divided into two steps. The first one is to let SVM learning according to characteristic parameters of pesticide residue from existing standards and experiment results and get classification model. This step is executed by offline and applies one-versus-one multi-class classification SVM. The second step is to use the model to classify detecting data from GC-MS analyzer and implement qualitative analysis for pesticide residue without using chemical standard-substance. NSS-QAM has been experimented with 1500 samples from 50 pesticides. The classification results demonstrate that NSS-QAM is an effective qualitative analyzing method.
基于支持向量机的非标准物质农药残留定性分析方法
目前,大多数农药残留分析方法都是基于质谱分析仪,如气相色谱-质谱分析仪。然而,使用这些方法,用户必须同时发送化学标准物质(纯农药)和需要检测的样品,才能检测食品和农产品中的农药残留。支持向量机(SVM)是一种基于小样本集的统计学习方法。它在解决小样本集、非线性和高维问题方面具有优势,在分类中得到了广泛的应用。提出了一种非标准物质农药残留定性分析方法。NSS-QAM将定性分析问题转化为基于支持向量机和现有官方农药残留检测标准及实验结果的农药残留分类问题。NSS-QAM分为两个步骤。一是让SVM根据现有标准和实验结果中农药残留的特征参数进行学习,得到分类模型。该步骤离线执行,采用一对一多类分类SVM。第二步,利用该模型对GC-MS分析仪检测数据进行分类,实现不使用化学标准物的农药残留定性分析。NSS-QAM在50种农药的1500个样本中进行了实验。分类结果表明,NSS-QAM是一种有效的定性分析方法。
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