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利用 UV-Vis、同步荧光和近红外光谱学以及化学计量学分析的数据融合对茶叶类型进行分类。

Tea types classification with data fusion of UV-Vis, synchronous fluorescence and NIR spectroscopies and chemometric analysis.

机构信息

Department of Food Commodity Science, Poznań University of Economics and Business, al. Niepodległości 10, 61-875 Poznań, Poland.

Department of Geoinformation, Adam Mickiewicz University, Dzięgielowa 27, Poznań, Poland.

出版信息

Spectrochim Acta A Mol Biomol Spectrosc. 2019 Mar 15;211:195-202. doi: 10.1016/j.saa.2018.11.063. Epub 2018 Dec 1.

Abstract

The potential of selected spectroscopic methods - UV-Vis, synchronous fluorescence and NIR as well a data fusion of the measurements by these methods - for the classification of tea samples with respect to the production process was examined. Four classification methods - Linear Discriminant Analysis (LDA), Quadratic Discriminant Analysis (QDA), Regularized Discriminant Analysis (RDA) and Support Vector Machine (SVM) - were used to analyze spectroscopic data. PCA analysis was applied prior to classification methods to reduce multidimensionality of the data. Classification error rates were used to evaluate the performance of these methods in the classification of tea samples. The results indicate that black, green, white, yellow, dark, and oolong teas, which are produced by different methods, are characterized by different UV-Vis, fluorescence, and NIR spectra. The lowest error rates in the calibration and validation data sets for individual spectroscopies and data fusion models were obtained with the use of the QDA and SVM methods, and did not exceed 3.3% and 0.0%, respectively. The lowest classification error rates in the validation data sets for individual spectroscopies were obtained with the use of RDA (12,8%), SVM (6,7%), and QDA (2,7%), for the UV-Vis, SF, and NIR spectroscopies, respectively. NIR spectroscopy combined with QDA outperformed other individual spectroscopic methods. Very low classification errors in the validation data sets - below 3% - were obtained for all the data fusion data sets (SF + UV-Vis, SF + NIR, NIR + UV-Vis combined with the SVM method). The results show that UV-Vis, fluorescence and near infrared spectroscopies may complement each other, giving lower errors for the classification of tea types.

摘要

选择的光谱方法——紫外可见、同步荧光和近红外以及这些方法测量的数据融合——在分类方面的潜力进行了检查。四种分类方法——线性判别分析(LDA)、二次判别分析(QDA)、正则判别分析(RDA)和支持向量机(SVM)——被用于分析光谱数据。在分类方法之前应用 PCA 分析以减少数据的多维性。分类错误率用于评估这些方法在茶样分类中的性能。结果表明,由不同方法生产的黑茶、绿茶、白茶、黄茶、黑茶和乌龙茶具有不同的紫外可见、荧光和近红外光谱。在单独光谱和数据融合模型的校准和验证数据集中,QDA 和 SVM 方法的个别错误率最低,分别不超过 3.3%和 0.0%。在验证数据集中,对于个别光谱,RDA(12.8%)、SVM(6.7%)和 QDA(2.7%)的分类错误率最低,分别用于紫外可见、SF 和 NIR 光谱。NIR 光谱与 QDA 结合的性能优于其他单独的光谱方法。在验证数据集中,所有数据融合数据集(SF+UV-Vis、SF+NIR、NIR+UV-Vis 与 SVM 方法相结合)的分类错误率均非常低,低于 3%。结果表明,紫外可见、荧光和近红外光谱可能相互补充,从而降低了茶类分类的错误率。

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