{"title":"采用连续投影法进行变量选择的近红外光谱分析菠菜种子活力的化学计量学方法","authors":"M. K. Lakshmanan, B. Boelt, R. Gislum","doi":"10.1177/09670335221138955","DOIUrl":null,"url":null,"abstract":"This paper proposes a chemometric method for evaluating the viability of spinach seeds using near infrared (NIR) spectroscopy and successive projections algorithms (SPA). An essential step of the procedure is to apply the SPA to optimize the choice of variables for multivariate classification. Variable selection using SPA has been described as an optimization problem in which a cost function is minimized. Selecting the correct variables makes the chemometric models more complete, precise, accurate, and less complex. The NIR spectra were processed using the Savitzky-Golay and multiplicative scatter correction techniques. After that, the best wavelength subset was selected using SPA. Different classification techniques are then applied to the dimension-reduced data to determine the seeds’ viability. The results show that the proposed method is less complex compared to existing canonical variance methods (1.7% miscalculation error in the proposed way) and is also easier to implement.","PeriodicalId":1,"journal":{"name":"Accounts of Chemical Research","volume":null,"pages":null},"PeriodicalIF":16.4000,"publicationDate":"2022-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"2","resultStr":"{\"title\":\"A chemometric method for the viability analysis of spinach seeds by near infrared spectroscopy with variable selection using successive projections algorithm\",\"authors\":\"M. K. Lakshmanan, B. Boelt, R. Gislum\",\"doi\":\"10.1177/09670335221138955\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"This paper proposes a chemometric method for evaluating the viability of spinach seeds using near infrared (NIR) spectroscopy and successive projections algorithms (SPA). An essential step of the procedure is to apply the SPA to optimize the choice of variables for multivariate classification. Variable selection using SPA has been described as an optimization problem in which a cost function is minimized. Selecting the correct variables makes the chemometric models more complete, precise, accurate, and less complex. The NIR spectra were processed using the Savitzky-Golay and multiplicative scatter correction techniques. After that, the best wavelength subset was selected using SPA. Different classification techniques are then applied to the dimension-reduced data to determine the seeds’ viability. The results show that the proposed method is less complex compared to existing canonical variance methods (1.7% miscalculation error in the proposed way) and is also easier to implement.\",\"PeriodicalId\":1,\"journal\":{\"name\":\"Accounts of Chemical Research\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":16.4000,\"publicationDate\":\"2022-12-13\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"2\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Accounts of Chemical Research\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1177/09670335221138955\",\"RegionNum\":1,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Accounts of Chemical Research","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1177/09670335221138955","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
A chemometric method for the viability analysis of spinach seeds by near infrared spectroscopy with variable selection using successive projections algorithm
This paper proposes a chemometric method for evaluating the viability of spinach seeds using near infrared (NIR) spectroscopy and successive projections algorithms (SPA). An essential step of the procedure is to apply the SPA to optimize the choice of variables for multivariate classification. Variable selection using SPA has been described as an optimization problem in which a cost function is minimized. Selecting the correct variables makes the chemometric models more complete, precise, accurate, and less complex. The NIR spectra were processed using the Savitzky-Golay and multiplicative scatter correction techniques. After that, the best wavelength subset was selected using SPA. Different classification techniques are then applied to the dimension-reduced data to determine the seeds’ viability. The results show that the proposed method is less complex compared to existing canonical variance methods (1.7% miscalculation error in the proposed way) and is also easier to implement.
期刊介绍:
Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance.
Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.