On the Use of Relative Validity Indices for Comparing Clustering Approaches

Fuente: arXiv
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Autores principales: Yerbury, Luke W., Campello, Ricardo J. G. B., Livingston Jr, G. C., Goldsworthy, Mark, O'Neil, Lachlan
Formato: Preprint
Publicado: 2024
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author Yerbury, Luke W.
Campello, Ricardo J. G. B.
Livingston Jr, G. C.
Goldsworthy, Mark
O'Neil, Lachlan
author_facet Yerbury, Luke W.
Campello, Ricardo J. G. B.
Livingston Jr, G. C.
Goldsworthy, Mark
O'Neil, Lachlan
contents Relative Validity Indices (RVIs) such as the Silhouette Width Criterion and Davies Bouldin indices are the most widely used tools for evaluating and optimising clustering outcomes. Traditionally, their ability to rank collections of candidate dataset partitions has been used to guide the selection of the number of clusters, and to compare partitions from different clustering algorithms. However, there is a growing trend in the literature to use RVIs when selecting a Similarity Paradigm (SP) for clustering - the combination of normalisation procedure, representation method, and distance measure which affects the computation of object dissimilarities used in clustering. Despite the growing prevalence of this practice, there has been no empirical or theoretical investigation into the suitability of RVIs for this purpose. Moreover, since RVIs are computed using object dissimilarities, it remains unclear how they would need to be implemented for fair comparisons of different SPs. This study presents the first comprehensive investigation into the reliability of RVIs for SP selection. We conducted extensive experiments with seven popular RVIs on over 2.7 million clustering partitions of synthetic and real-world datasets, encompassing feature-vector and time-series data. We identified fundamental conceptual limitations undermining the use of RVIs for SP selection, and our empirical findings confirmed this predicted unsuitability. Among our recommendations, we suggest instead that practitioners select SPs by using external validation on high quality labelled datasets or carefully designed outcome-oriented objective criteria, both of which should be informed by careful consideration of dataset characteristics, and domain requirements. Our findings have important implications for clustering methodology and evaluation, suggesting the need for more rigorous approaches to SP selection.
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id arxiv_https___arxiv_org_abs_2404_10351
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle On the Use of Relative Validity Indices for Comparing Clustering Approaches
Yerbury, Luke W.
Campello, Ricardo J. G. B.
Livingston Jr, G. C.
Goldsworthy, Mark
O'Neil, Lachlan
Machine Learning
Relative Validity Indices (RVIs) such as the Silhouette Width Criterion and Davies Bouldin indices are the most widely used tools for evaluating and optimising clustering outcomes. Traditionally, their ability to rank collections of candidate dataset partitions has been used to guide the selection of the number of clusters, and to compare partitions from different clustering algorithms. However, there is a growing trend in the literature to use RVIs when selecting a Similarity Paradigm (SP) for clustering - the combination of normalisation procedure, representation method, and distance measure which affects the computation of object dissimilarities used in clustering. Despite the growing prevalence of this practice, there has been no empirical or theoretical investigation into the suitability of RVIs for this purpose. Moreover, since RVIs are computed using object dissimilarities, it remains unclear how they would need to be implemented for fair comparisons of different SPs. This study presents the first comprehensive investigation into the reliability of RVIs for SP selection. We conducted extensive experiments with seven popular RVIs on over 2.7 million clustering partitions of synthetic and real-world datasets, encompassing feature-vector and time-series data. We identified fundamental conceptual limitations undermining the use of RVIs for SP selection, and our empirical findings confirmed this predicted unsuitability. Among our recommendations, we suggest instead that practitioners select SPs by using external validation on high quality labelled datasets or carefully designed outcome-oriented objective criteria, both of which should be informed by careful consideration of dataset characteristics, and domain requirements. Our findings have important implications for clustering methodology and evaluation, suggesting the need for more rigorous approaches to SP selection.
title On the Use of Relative Validity Indices for Comparing Clustering Approaches
topic Machine Learning
url https://arxiv.org/abs/2404.10351