{"title":"Comprehensive Anomaly Score Rank Based Unsupervised Sample Selection Method","authors":"Zhongjiang He, Zhonghai He, Xiaofang Zhang","doi":"10.1002/cem.70028","DOIUrl":null,"url":null,"abstract":"<div>\n \n <p>The process of selecting representative samples is crucial for establishing an accurate calibration model. To enhance the representativeness of the samples, a method for sample selection, utilizing the degree of anomaly as the evaluation criterion, is proposed. Initially, anomaly scores corresponding to various detection methods are obtained to ensure a comprehensive evaluation. These scores are then normalized by the confidence lower limit to establish a consistent scoring criterion. Subsequently, the weights of different detection methods are determined through eigenvector centrality analysis of a graph, where the methods serve as nodes and the similarity acts as weighted edges. Finally, the comprehensive anomaly scores are computed as the sum of weighted scores and are subsequently sorted. Representative samples are selected using a uniformly spaced sampling approach, with the spacing determined by a predefined and provided sample number. The efficacy of the method is validated across different sample sets.</p>\n </div>","PeriodicalId":15274,"journal":{"name":"Journal of Chemometrics","volume":"39 4","pages":""},"PeriodicalIF":2.3000,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemometrics","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/cem.70028","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"SOCIAL WORK","Score":null,"Total":0}
引用次数: 0
Abstract
The process of selecting representative samples is crucial for establishing an accurate calibration model. To enhance the representativeness of the samples, a method for sample selection, utilizing the degree of anomaly as the evaluation criterion, is proposed. Initially, anomaly scores corresponding to various detection methods are obtained to ensure a comprehensive evaluation. These scores are then normalized by the confidence lower limit to establish a consistent scoring criterion. Subsequently, the weights of different detection methods are determined through eigenvector centrality analysis of a graph, where the methods serve as nodes and the similarity acts as weighted edges. Finally, the comprehensive anomaly scores are computed as the sum of weighted scores and are subsequently sorted. Representative samples are selected using a uniformly spaced sampling approach, with the spacing determined by a predefined and provided sample number. The efficacy of the method is validated across different sample sets.
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.