Comprehensive Anomaly Score Rank Based Unsupervised Sample Selection Method

IF 2.1 4区 化学 Q1 SOCIAL WORK Journal of Chemometrics Pub Date : 2025-04-08 DOI:10.1002/cem.70028
Zhongjiang He, Zhonghai He, Xiaofang Zhang
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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.

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基于综合异常评分秩的无监督样本选择方法
选择代表性样本的过程对于建立准确的校准模型至关重要。为了提高样本的代表性,提出了一种以异常程度作为评价标准的样本选择方法。首先得到不同检测方法对应的异常分数,以保证综合评价。然后通过置信下限将这些分数归一化,以建立一致的评分标准。然后,通过图的特征向量中心性分析确定不同检测方法的权重,其中方法作为节点,相似度作为加权边。最后,将综合异常分数计算为加权分数之和,并进行排序。使用均匀间隔采样方法选择代表性样本,其间隔由预定义的和提供的样本数确定。通过不同的样本集验证了该方法的有效性。
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来源期刊
Journal of Chemometrics
Journal of Chemometrics 化学-分析化学
CiteScore
5.20
自引率
8.30%
发文量
78
审稿时长
2 months
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.
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