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基于主成分分析和连续投影算法的近红外光谱法鉴别甘蓝品种

[Discrimination of Varieties of Cabbage with Near Infrared Spectra Based on Principal Component Analysis and Successive Projections Algorithm].

作者信息

Luo Wei, Du Yan-zhe, Zhang Hai-liang

出版信息

Guang Pu Xue Yu Guang Pu Fen Xi. 2016 Nov;36(11):3536-41.

Abstract

The varieties of cabbage seeds directly affect the yield and quality of cabbage, in order to rapidly and nondestructively identify the varieties of cabbage seeds, near infrared spectra technique were applied in this study and reflectance spectrum of the cabbage seeds was obtained. Firstly, to excavate the effective information in the spectral data and improve signal to noise ratio, the raw spectra was pre-processed with the method of standard normal variate (SNV) and multiplicative scatter correction (MSC). Secondly, principal component analysis (PCA) was used to analyze the clustering of cabbage samples, then the characteristic differentia of three cabbage varieties was obtained through qualitative analysis. Six Effective wavelengths were selected by successive projections algorithm (SPA). Finally, the full spectra variable, the first three principal components (PCs) using PCA and selected effective wavelengths using SPA were respectively set as inputs of the partial least squares discriminant analysis (PLS-DA) and least-squares support vector machine (LS-SVM) models for the classification of cabbage seeds. As can be seen from the two dimensional plot drawn with the scores of PC1 and PC2 (the first two principle components), PC1 and PC2 had a good clustering effect for different kinds of cabbage seeds. LS-SVM models performed better than PLS-DA models, the correct rates of discrimination were 100% achieved with LS-SVM models. PLS-DA and LS-SVM models built based on the selected wavelengths performed better than the models built based on the first three principal components, moreover, the SPA-LS-SVM model obtained the best results among all models, with 100% discrimination accuracy for both the calibration set and the prediction set. The overall results show that SPA can extract wavelengths, and the LS-SVM model combined with SPA can obtain optimal classification results. So the present paper could offer an alternate approach for the rapid discrimination of cabbage seeds variety.

摘要

白菜种子的品种直接影响白菜的产量和品质,为了快速无损地鉴别白菜种子品种,本研究应用近红外光谱技术获取了白菜种子的反射光谱。首先,为挖掘光谱数据中的有效信息并提高信噪比,采用标准正态变量变换(SNV)和多元散射校正(MSC)方法对原始光谱进行预处理。其次,利用主成分分析(PCA)对白菜样本进行聚类分析,通过定性分析得出三个白菜品种的特征差异。采用连续投影算法(SPA)选取了6个有效波长。最后,分别将全光谱变量、PCA提取的前三个主成分(PCs)以及SPA选取的有效波长作为偏最小二乘判别分析(PLS-DA)和最小二乘支持向量机(LS-SVM)模型的输入,用于白菜种子的分类。从以PC1和PC2得分(前两个主成分)绘制的二维图可以看出,PC1和PC2对不同种类的白菜种子具有良好的聚类效果。LS-SVM模型的性能优于PLS-DA模型,LS-SVM模型的判别正确率达到了100%。基于所选波长构建的PLS-DA和LS-SVM模型比基于前三个主成分构建的模型性能更好,此外,SPA-LS-SVM模型在所有模型中取得了最佳结果,校正集和预测集的判别准确率均为100%。总体结果表明,SPA能够提取波长,与SPA相结合的LS-SVM模型能够获得最优的分类结果。因此,本文可为白菜种子品种的快速鉴别提供一种替代方法。

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