Omar Nibouche , Fayas Asharindavida , Hui Wang , Jordan Vincent , Jun Liu , Saskia van Ruth , Paul Maguire , Enayet Rahman
{"title":"用于基于微型光谱仪的食品分析的新型子类线性判别器","authors":"Omar Nibouche , Fayas Asharindavida , Hui Wang , Jordan Vincent , Jun Liu , Saskia van Ruth , Paul Maguire , Enayet Rahman","doi":"10.1016/j.chemolab.2024.105136","DOIUrl":null,"url":null,"abstract":"<div><p>The well-known and extensively studied Linear Discriminant Analysis (LDA) can have its performance lowered in scenarios where data is not homoscedastic or not Gaussian. That is, the classical assumptions when LDA models are built are not applicable, and consequently LDA projections would not be able to extract the needed features to explain the intrinsic structure of data and for classes to be separated. As with many real word data sets, data obtained using miniature spectrometers can suffer from such drawbacks which would limit the deployment of such technology needed for food analysis. The solution presented in the paper is to divide classes into subclasses and to use means of sub classes, classes, and data in the suggested between classes scatter metric. Further, samples belonging to the same subclass are used to build a measure of within subclass scatterness. Such a solution solves the shortcoming of the classical LDA. The obtained results when using the proposed solution on food data and on general machine learning datasets show that the work in this paper compares well to and is very competitive with similar sub-class LDA algorithms in the literature. An extension to a Hilbert space is also presented; and the kernel version of the presented solution can be fused with its linear counter parts to yield improved classification rates.</p></div>","PeriodicalId":9774,"journal":{"name":"Chemometrics and Intelligent Laboratory Systems","volume":"250 ","pages":"Article 105136"},"PeriodicalIF":3.7000,"publicationDate":"2024-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0169743924000765/pdfft?md5=79caa0e3ce066c5537d9c639d217ec83&pid=1-s2.0-S0169743924000765-main.pdf","citationCount":"0","resultStr":"{\"title\":\"A new sub-class linear discriminant for miniature spectrometer based food analysis\",\"authors\":\"Omar Nibouche , Fayas Asharindavida , Hui Wang , Jordan Vincent , Jun Liu , Saskia van Ruth , Paul Maguire , Enayet Rahman\",\"doi\":\"10.1016/j.chemolab.2024.105136\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The well-known and extensively studied Linear Discriminant Analysis (LDA) can have its performance lowered in scenarios where data is not homoscedastic or not Gaussian. That is, the classical assumptions when LDA models are built are not applicable, and consequently LDA projections would not be able to extract the needed features to explain the intrinsic structure of data and for classes to be separated. As with many real word data sets, data obtained using miniature spectrometers can suffer from such drawbacks which would limit the deployment of such technology needed for food analysis. The solution presented in the paper is to divide classes into subclasses and to use means of sub classes, classes, and data in the suggested between classes scatter metric. Further, samples belonging to the same subclass are used to build a measure of within subclass scatterness. Such a solution solves the shortcoming of the classical LDA. The obtained results when using the proposed solution on food data and on general machine learning datasets show that the work in this paper compares well to and is very competitive with similar sub-class LDA algorithms in the literature. An extension to a Hilbert space is also presented; and the kernel version of the presented solution can be fused with its linear counter parts to yield improved classification rates.</p></div>\",\"PeriodicalId\":9774,\"journal\":{\"name\":\"Chemometrics and Intelligent Laboratory Systems\",\"volume\":\"250 \",\"pages\":\"Article 105136\"},\"PeriodicalIF\":3.7000,\"publicationDate\":\"2024-05-04\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.sciencedirect.com/science/article/pii/S0169743924000765/pdfft?md5=79caa0e3ce066c5537d9c639d217ec83&pid=1-s2.0-S0169743924000765-main.pdf\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Chemometrics and Intelligent Laboratory Systems\",\"FirstCategoryId\":\"94\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0169743924000765\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"AUTOMATION & CONTROL SYSTEMS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemometrics and Intelligent Laboratory Systems","FirstCategoryId":"94","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0169743924000765","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"AUTOMATION & CONTROL SYSTEMS","Score":null,"Total":0}
A new sub-class linear discriminant for miniature spectrometer based food analysis
The well-known and extensively studied Linear Discriminant Analysis (LDA) can have its performance lowered in scenarios where data is not homoscedastic or not Gaussian. That is, the classical assumptions when LDA models are built are not applicable, and consequently LDA projections would not be able to extract the needed features to explain the intrinsic structure of data and for classes to be separated. As with many real word data sets, data obtained using miniature spectrometers can suffer from such drawbacks which would limit the deployment of such technology needed for food analysis. The solution presented in the paper is to divide classes into subclasses and to use means of sub classes, classes, and data in the suggested between classes scatter metric. Further, samples belonging to the same subclass are used to build a measure of within subclass scatterness. Such a solution solves the shortcoming of the classical LDA. The obtained results when using the proposed solution on food data and on general machine learning datasets show that the work in this paper compares well to and is very competitive with similar sub-class LDA algorithms in the literature. An extension to a Hilbert space is also presented; and the kernel version of the presented solution can be fused with its linear counter parts to yield improved classification rates.
期刊介绍:
Chemometrics and Intelligent Laboratory Systems publishes original research papers, short communications, reviews, tutorials and Original Software Publications reporting on development of novel statistical, mathematical, or computer techniques in Chemistry and related disciplines.
Chemometrics is the chemical discipline that uses mathematical and statistical methods to design or select optimal procedures and experiments, and to provide maximum chemical information by analysing chemical data.
The journal deals with the following topics:
1) Development of new statistical, mathematical and chemometrical methods for Chemistry and related fields (Environmental Chemistry, Biochemistry, Toxicology, System Biology, -Omics, etc.)
2) Novel applications of chemometrics to all branches of Chemistry and related fields (typical domains of interest are: process data analysis, experimental design, data mining, signal processing, supervised modelling, decision making, robust statistics, mixture analysis, multivariate calibration etc.) Routine applications of established chemometrical techniques will not be considered.
3) Development of new software that provides novel tools or truly advances the use of chemometrical methods.
4) Well characterized data sets to test performance for the new methods and software.
The journal complies with International Committee of Medical Journal Editors'' Uniform requirements for manuscripts.