Artificial and Algorithmic Screening of Infrared Spectral Feature Bands of Gastrodia elata to Achieve Rapid Identification of Its Species
文献类型： 外文期刊
作者： Liu, Shuai 1 ; Liu, Honggao 4 ; Li, Jieqing 2 ; Wang, Yuanzhong 3 ;
作者机构： 1.Yunnan Univ, Coll Life Sci, Kunming, Yunnan, Peoples R China
2.Yunnan Agr Univ, Coll Resources & Environm, Kunming, Yunnan, Peoples R China
3.Yunnan Acad Agr Sci, Med Plants Res Inst, Kunming, Yunnan, Peoples R China
4.Zhaotong Univ, Yunnan Key Lab Gastrodia & Fungi Symbiot Biol, Zhaotong Yunnan, Peoples R China
关键词： Chemometrics model; Gastrodia elata; infrared fingerprint region; ResNet; three-dimensional projected image
期刊名称：JOURNAL OF CHEMOMETRICS （ 影响因子：2.1； 五年影响因子：2.3 ）
ISSN： 0886-9383
年卷期： 2025 年 39 卷 1 期
页码：
收录情况： SCI
摘要： Gastrodia elata is a traditional Chinese medicine with medicinal and edible values. In this paper, two kinds of datasets were acquired: partial spectra (artificially obtained peak segment spectra) and full spectra (4000-400 cm(-1)). Competitive adaptive reweighted sampling algorithm (CARS) and successive projection algorithm (SPA) were utilized to extract the characteristic variables of the two datasets, and Partial Least Squares Discriminant Analysis (PLS-DA) models, Support Vector Machines (SVM) models, Random Forests (RF) models, and Residual convolutional neural networks (ResNet) were established. It was found that among the PLS-DA models whole-MSC-CARS-PLS-DA was optimal, with a Root Mean Square Error of Prediction (RMSEP) of 0.0658; among the SVM models Partial-Standard Normal Variable (SNV-SPA-SVM was the best, with a kernel parameter of 0.1768 and the lowest number of support vectors; among the RF models Partial-SNV-RF is optimal, but not as effective as the first two models. The loss value of the ResNet model built based on effective information is 0.001, and the model building time is short and directly uses the original data. Therefore, the ResNet model based on feature bands is the most suitable for practical application compared with other models.
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