On the Use of Relative Validity Indices for Comparing Clustering Approaches

Relative Validity Indices (RVIs) such as the Silhouette Width Criterion, Calinski-Harabasz and Davie's Bouldin indices are the most popular tools for evaluating and optimising applications of clustering. Their ability to rank collections of candidate partitions has been used to guide the selection of the number of clusters, and to compare partitions from different clustering algorithms. Beyond these more conventional tasks, many examples can be found in the literature where RVIs have been used to compare and select other aspects of clustering approaches such as data normalisation procedures, data representation methods, and distance measures. The authors are not aware of any studies that have attempted to establish the suitability of RVIs for such comparisons. Moreover, given the impact of these aspects on pairwise similarities, it is not even immediately obvious how RVIs should be implemented when comparing these aspects. In this study, we conducted experiments with seven common RVIs on over 2.7 million clustering partitions for both synthetic and real-world datasets, encompassing feature-vector and time-series data. Our findings suggest that RVIs are not well-suited to these unconventional tasks, and that conclusions drawn from such applications may be misleading. It is recommended that normalisation procedures, representation methods, and distance measures instead be selected using external validation on high quality labelled datasets or carefully designed outcome-oriented objective criteria, both of which should be informed by relevant domain knowledge and clustering aims.

LDReg: Local Dimensionality Regularized Self-Supervised Learning

Representations learned via self-supervised learning (SSL) can be susceptible to dimensional collapse, where the learned representation subspace is of extremely low dimensionality and thus fails to represent the full data distribution and modalities. Dimensional collapse also known as the "underfilling" phenomenon is one of the major causes of degraded performance on downstream tasks. Previous work has investigated the dimensional collapse problem of SSL at a global level. In this paper, we demonstrate that representations can span over high dimensional space globally, but collapse locally. To address this, we propose a method called $\textit{local dimensionality regularization (LDReg)}$. Our formulation is based on the derivation of the Fisher-Rao metric to compare and optimize local distance distributions at an asymptotically small radius for each data point. By increasing the local intrinsic dimensionality, we demonstrate through a range of experiments that LDReg improves the representation quality of SSL. The results also show that LDReg can regularize dimensionality at both local and global levels.

Dimensionality-Aware Outlier Detection: Theoretical and Experimental Analysis

We present a nonparametric method for outlier detection that takes full account of local variations in intrinsic dimensionality within the dataset. Using the theory of Local Intrinsic Dimensionality (LID), our 'dimensionality-aware' outlier detection method, DAO, is derived as an estimator of an asymptotic local expected density ratio involving the query point and a close neighbor drawn at random. The dimensionality-aware behavior of DAO is due to its use of local estimation of LID values in a theoretically-justified way. Through comprehensive experimentation on more than 800 synthetic and real datasets, we show that DAO significantly outperforms three popular and important benchmark outlier detection methods: Local Outlier Factor (LOF), Simplified LOF, and kNN.