Use of cluster separation indices and the influence of outliers: application of two new separation indices, the modified silhouette index and the overlap coefficient to simulated data and mouse urine metabolomic profiles
Use of cluster separation indices and the influence of outliers: application of two new separation indices, the modified silhouette index and the overlap coefficient to simulated data and mouse urine metabolomic profiles
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DOI：
10.1002/cem.1189
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发表时间：
2009-01-01
影响因子：
2.4
通讯作者：
Brereton, Richard G.
中科院分区：
文献类型：
--
作者：
Dixon, Sarah J.;Heinrich, Nina;Brereton, Richard G.
为了量化不同的类别，比较了四个指标，即Davies Bouldin指数、轮廓宽度和本文描述的两种新方法，即基于轮廓宽度为正的对象的比例和重叠系数的修正轮廓宽度指数。描述了四组模拟数据集，每组数据集依次由15组重叠程度不同且异常值性质不同的数据组成。还描述了三个实验数据，包括小鼠尿液提取物的气相色谱-质谱图，以研究不同环境(压力)、生理(饮食)和发育(年龄)因素对其代谢谱的影响。本文讨论了每种方法对异常值的稳健性，并允许对每个指标的类分离进行评估。这两个修改可以防止出现异常值。版权所有(C)2008 John Wiley&Sons，Ltd.
To quantify separate classes, four indices are compared namely the Davies Bouldin index, the silhouette width and two new approaches described in this paper, the modified silhouette width index based on the proportion of objects with a positive silhouette width and the Overlap Coefficient. Four sets of simulated datasets are described, each in turn, consisting of 15 sets of data of varying degrees of overlap, and differing in the nature of outliers. Three experimental datasets consisting of the gas chromatography mass spectrometry of extracts from mouse urine obtained to study the effect of different environmental (stress), physiological (diet) and developmental (age) factors on their metabolic profiles are also described. The paper discusses the robustness of each approach to outliers, and to allow assessment of class separation for each index. The two modifications protect against outliers. Copyright (C) 2008 John Wiley & Sons, Ltd.