Application of ATR-FTIR Spectrum Combined With Ensemble Learning and Deep Learning for Identification of Amomum tsao-ko at Different Drying Temperatures

IF 2.1 4区 化学 Q1 SOCIAL WORK
Gang He, Shao-bing Yang, Yuan-zhong Wang
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Abstract

Amomum tsao-ko Crevost et Lemaire (A. tsao-ko) is an important medicinal plant and flavoring spice. A. tsao-ko dried at different drying temperatures has different nutritional and medicinal values, leading to the phenomenon of substandard products in the market from time to time. In this study, attenuated total reflection–Fourier transform infrared spectroscopy (ATR-FTIR) data were pre-processed with SD, normalization, EWMA, SNV to compare their effects on the recognition ability of SVM, RF, XGBoost, and CatBoost models. Meanwhile, full-band and local-band 2DCOS profiles were obtained to characterize the differences in chemical features of A. tsao-ko dried by different drying temperatures and classified in conjunction with the ResNet model. The results show that although traditional machine learning can obtain better classification results, the classification efficiency is very unsatisfactory, and the correct classification rate is improved to 97% after derivative (SD) preprocessing. The 2DCOS atlas is able to visualize the feature information in the samples, which is further combined with the ResNet model to obtain 100% classification correctness with excellent generalization ability and convergence effect. The above study was able to provide new ideas for quality evaluation of A. tsao-ko.

ATR-FTIR光谱结合集成学习和深度学习在不同干燥温度下草砂鉴别中的应用
草果砂是一种重要的药用植物和调味香料。在不同的干燥温度下干燥的草子具有不同的营养和药用价值,导致市场上不时出现不合格产品的现象。本研究对衰减全反射-傅里叶变换红外光谱(ATR-FTIR)数据进行SD、归一化、EWMA、SNV预处理,比较其对SVM、RF、XGBoost和CatBoost模型识别能力的影响。同时,利用全波段和局部波段2DCOS谱图表征了不同干燥温度下草树化学特征的差异,并结合ResNet模型进行了分类。结果表明,传统的机器学习虽然可以获得更好的分类结果,但分类效率非常不理想,经过导数(SD)预处理后,正确分类率提高到97%。2DCOS图谱能够将样本中的特征信息可视化,并与ResNet模型进一步结合,获得100%的分类正确率,具有出色的泛化能力和收敛效果。本研究可为曹子的品质评价提供新的思路。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Journal of Chemometrics
Journal of Chemometrics 化学-分析化学
CiteScore
5.20
自引率
8.30%
发文量
78
审稿时长
2 months
期刊介绍: The Journal of Chemometrics is devoted to the rapid publication of original scientific papers, reviews and short communications on fundamental and applied aspects of chemometrics. It also provides a forum for the exchange of information on meetings and other news relevant to the growing community of scientists who are interested in chemometrics and its applications. Short, critical review papers are a particularly important feature of the journal, in view of the multidisciplinary readership at which it is aimed.
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