{"title":"基于多重共线性约简的食品原产地溯源识别变量选择方法","authors":"Lu Tian , Yankun Li , Mengsha Zhang","doi":"10.1016/j.vibspec.2025.103804","DOIUrl":null,"url":null,"abstract":"<div><div>In spectral modelling analysis, multicollinearity problems among the spectral variables are prevalent, which may reduce the accuracy of the analysis result. To reduce the effect of multicollinearity between variables in classification analysis, a new strategy of variable selection named as multicollinearity reduction-based variable selection (MR-based VS) is proposed. Characteristic variables were selected based on inter-class significant difference and intra-class correlation evaluation, which reduced data multicollinearity and ensured the selected variables were more relevant to the categories. It was combined with supervised pattern recognition methods of least squares discrimination analysis (PLS-DA) and uncorrelated linear discriminant analysis (ULDA) for the identification of the red wine and olive oil from different geographical origins. The results show that compared with the full-spectrum model and the traditional successive projection algorithm (SPA) variable screening model, the MR-based VS strategy reduces the multicollinearity between variables while ensuring the maximum difference among the different classes, as a result, it obtained the superior classification results. Therefore, MR-based VS can effectively extract categorical features, eliminate redundant information, and improve model interpretability, which shows potential for enhancing the ability of the spectral qualitative analysis model in different fields.</div></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"138 ","pages":"Article 103804"},"PeriodicalIF":2.7000,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"A variable selection method based on multicollinearity reduction for food origin traceability identification\",\"authors\":\"Lu Tian , Yankun Li , Mengsha Zhang\",\"doi\":\"10.1016/j.vibspec.2025.103804\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>In spectral modelling analysis, multicollinearity problems among the spectral variables are prevalent, which may reduce the accuracy of the analysis result. To reduce the effect of multicollinearity between variables in classification analysis, a new strategy of variable selection named as multicollinearity reduction-based variable selection (MR-based VS) is proposed. Characteristic variables were selected based on inter-class significant difference and intra-class correlation evaluation, which reduced data multicollinearity and ensured the selected variables were more relevant to the categories. It was combined with supervised pattern recognition methods of least squares discrimination analysis (PLS-DA) and uncorrelated linear discriminant analysis (ULDA) for the identification of the red wine and olive oil from different geographical origins. The results show that compared with the full-spectrum model and the traditional successive projection algorithm (SPA) variable screening model, the MR-based VS strategy reduces the multicollinearity between variables while ensuring the maximum difference among the different classes, as a result, it obtained the superior classification results. Therefore, MR-based VS can effectively extract categorical features, eliminate redundant information, and improve model interpretability, which shows potential for enhancing the ability of the spectral qualitative analysis model in different fields.</div></div>\",\"PeriodicalId\":23656,\"journal\":{\"name\":\"Vibrational Spectroscopy\",\"volume\":\"138 \",\"pages\":\"Article 103804\"},\"PeriodicalIF\":2.7000,\"publicationDate\":\"2025-04-09\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Vibrational Spectroscopy\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0924203125000384\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, ANALYTICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Vibrational Spectroscopy","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0924203125000384","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}
A variable selection method based on multicollinearity reduction for food origin traceability identification
In spectral modelling analysis, multicollinearity problems among the spectral variables are prevalent, which may reduce the accuracy of the analysis result. To reduce the effect of multicollinearity between variables in classification analysis, a new strategy of variable selection named as multicollinearity reduction-based variable selection (MR-based VS) is proposed. Characteristic variables were selected based on inter-class significant difference and intra-class correlation evaluation, which reduced data multicollinearity and ensured the selected variables were more relevant to the categories. It was combined with supervised pattern recognition methods of least squares discrimination analysis (PLS-DA) and uncorrelated linear discriminant analysis (ULDA) for the identification of the red wine and olive oil from different geographical origins. The results show that compared with the full-spectrum model and the traditional successive projection algorithm (SPA) variable screening model, the MR-based VS strategy reduces the multicollinearity between variables while ensuring the maximum difference among the different classes, as a result, it obtained the superior classification results. Therefore, MR-based VS can effectively extract categorical features, eliminate redundant information, and improve model interpretability, which shows potential for enhancing the ability of the spectral qualitative analysis model in different fields.
期刊介绍:
Vibrational Spectroscopy provides a vehicle for the publication of original research that focuses on vibrational spectroscopy. This covers infrared, near-infrared and Raman spectroscopies and publishes papers dealing with developments in applications, theory, techniques and instrumentation.
The topics covered by the journal include:
Sampling techniques,
Vibrational spectroscopy coupled with separation techniques,
Instrumentation (Fourier transform, conventional and laser based),
Data manipulation,
Spectra-structure correlation and group frequencies.
The application areas covered include:
Analytical chemistry,
Bio-organic and bio-inorganic chemistry,
Organic chemistry,
Inorganic chemistry,
Catalysis,
Environmental science,
Industrial chemistry,
Materials science,
Physical chemistry,
Polymer science,
Process control,
Specialized problem solving.