Ricardo J. G. B. Campello

Philipp Röchner, Henrique O. Marques, Ricardo J. G. B. Campello et al.

Outlier detection algorithms typically assign an outlier score to each observation in a dataset, indicating the degree to which an observation is an outlier. However, these scores are often not comparable across algorithms and can be difficult for humans to interpret. Statistical scaling addresses this problem by transforming outlier scores into outlier probabilities without using ground-truth labels, thereby improving interpretability and comparability across algorithms. However, the quality of this transformation can be different for outliers and inliers. Missing outliers in scenarios where they are of particular interest - such as healthcare, finance, or engineering - can be costly or dangerous. Thus, ensuring good probabilities for outliers is essential. This paper argues that statistical scaling, as commonly used in the literature, does not produce equally good probabilities for outliers as for inliers. Therefore, we propose robust statistical scaling, which uses robust estimators to improve the probabilities for outliers. We evaluate several variants of our method against other outlier score transformations for real-world datasets and outlier detection algorithms, where it can improve the probabilities for outliers.

Luke W. Yerbury, Ricardo J. G. B. Campello, G. C. Livingston et al.

With grid operators confronting rising uncertainty from renewable integration and a broader push toward electrification, Demand-Side Management (DSM) -- particularly Demand Response (DR) -- has attracted significant attention as a cost-effective mechanism for balancing modern electricity systems. Unprecedented volumes of consumption data from a continuing global deployment of smart meters enable consumer segmentation based on real usage behaviours, promising to inform the design of more effective DSM and DR programs. However, existing clustering-based segmentation methods insufficiently reflect the behavioural diversity of consumers, often relying on rigid temporal alignment, and faltering in the presence of anomalies, missing data, or large-scale deployments. To address these challenges, we propose a novel two-stage clustering framework -- Clustered Representations Optimising Consumer Segmentation (CROCS). In the first stage, each consumer's daily load profiles are clustered independently to form a Representative Load Set (RLS), providing a compact summary of their typical diurnal consumption behaviours. In the second stage, consumers are clustered using the Weighted Sum of Minimum Distances (WSMD), a novel set-to-set measure that compares RLSs by accounting for both the prevalence and similarity of those behaviours. Finally, community detection on the WSMD-induced graph reveals higher-order prototypes that embody the shared diurnal behaviours defining consumer groups, enhancing the interpretability of the resulting clusters. Extensive experiments on both synthetic and real Australian smart meter datasets demonstrate that CROCS captures intra-consumer variability, uncovers both synchronous and asynchronous behavioural similarities, and remains robust to anomalies and missing data, while scaling efficiently through natural parallelisation. These results...

Kristóf Péter, Ricardo J. G. B. Campello, James Bailey et al.

The theory of Local Intrinsic Dimensionality (LID) has become a valuable tool for characterizing local complexity within and across data manifolds, supporting a range of data mining and machine learning tasks. Accurate LID estimation requires samples drawn from small neighborhoods around each query to avoid biases from nonlocal effects and potential manifold mixing, yet limited data within such neighborhoods tends to cause high estimation variance. As a variance reduction strategy, we propose an ensemble approach that uses subbagging to preserve the local distribution of nearest neighbor (NN) distances. The main challenge is that the uniform reduction in total sample size within each subsample increases the proximity threshold for finding a fixed number k of NNs around the query. As a result, in the specific context of LID estimation, the sampling rate has an additional, complex interplay with the neighborhood size, where both combined determine the sample size as well as the locality and resolution considered for estimation. We analyze both theoretically and experimentally how the choice of the sampling rate and the k-NN size used for LID estimation, alongside the ensemble size, affects performance, enabling informed prior selection of these hyper-parameters depending on application-based preferences. Our results indicate that within broad and well-characterized regions of the hyper-parameters space, using a bagged estimator will most often significantly reduce variance as well as the mean squared error when compared to the corresponding non-bagged baseline, with controllable impact on bias. We additionally propose and evaluate different ways of combining bagging with neighborhood smoothing for substantial further improvements on LID estimation performance.

Connor Simpson, Ricardo J. G. B. Campello, Elizabeth Stojanovski

Validation plays a crucial role in the clustering process. Many different internal validity indexes exist for the purpose of determining the best clustering solution(s) from a given collection of candidates, e.g., as produced by different algorithms or different algorithm hyper-parameters. In this study, we present a comprehensive benchmark study of 26 internal validity indexes, which includes highly popular classic indexes as well as more recently developed ones. We adopted an enhanced revision of the methodology presented in Vendramin et al. (2010), developed here to address several shortcomings of this previous work. This overall new approach consists of three complementary custom-tailored evaluation sub-methodologies, each of which has been designed to assess specific aspects of an index's behaviour while preventing potential biases of the other sub-methodologies. Each sub-methodology features two complementary measures of performance, alongside mechanisms that allow for an in-depth investigation of more complex behaviours of the internal validity indexes under study. Additionally, a new collection of 16177 datasets has been produced, paired with eight widely-used clustering algorithms, for a wider applicability scope and representation of more diverse clustering scenarios.

Luke W. Yerbury, Ricardo J. G. B. Campello, G. C. Livingston et al.

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.

Alastair Anderberg, James Bailey, Ricardo J. G. B. Campello et al.

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.

Hanxun Huang, Ricardo J. G. B. Campello, Sarah Monazam Erfani et al.

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.