Overlapping coefficient in network-based semi-supervised clustering

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2024-02-19 DOI:10.1007/s00180-024-01457-6
Claudio Conversano, Luca Frigau, Giulia Contu
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Abstract

Network-based Semi-Supervised Clustering (NeSSC) is a semi-supervised approach for clustering in the presence of an outcome variable. It uses a classification or regression model on resampled versions of the original data to produce a proximity matrix that indicates the magnitude of the similarity between pairs of observations measured with respect to the outcome. This matrix is transformed into a complex network on which a community detection algorithm is applied to search for underlying community structures which is a partition of the instances into highly homogeneous clusters to be evaluated in terms of the outcome. In this paper, we focus on the case the outcome variable to be used in NeSSC is numeric and propose an alternative selection criterion of the optimal partition based on a measure of overlapping between density curves as well as a penalization criterion which takes accounts for the number of clusters in a candidate partition. Next, we consider the performance of the proposed method for some artificial datasets and for 20 different real datasets and compare NeSSC with the other three popular methods of semi-supervised clustering with a numeric outcome. Results show that NeSSC with the overlapping criterion works particularly well when a reduced number of clusters are scattered localized.

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基于网络的半监督聚类中的重叠系数
基于网络的半监督聚类(NeSSC)是一种在存在结果变量的情况下进行聚类的半监督方法。它在原始数据的重采样版本上使用分类或回归模型,生成一个邻近度矩阵,该矩阵显示了与结果相关的观测对之间的相似度大小。该矩阵被转化为一个复杂的网络,在该网络上应用群体检测算法来搜索潜在的群体结构,即把实例划分为高度同质的群组,以便根据结果进行评估。在本文中,我们重点讨论了 NeSSC 中使用的结果变量是数字变量的情况,并提出了一种基于密度曲线重叠度量的最优分区选择标准,以及一种考虑候选分区中聚类数量的惩罚标准。接下来,我们考虑了所提方法在一些人工数据集和 20 个不同真实数据集上的性能,并将 NeSSC 与其他三种流行的数字结果半监督聚类方法进行了比较。结果表明,采用重叠标准的 NeSSC 在聚类数量减少、分散定位的情况下效果尤佳。
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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
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.
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