arXiv subjects

David P. Hofmeyr

Publications and source records attributed to David P. Hofmeyr.

15 recordsLinked to original sources

arXiv2026

Efficient Estimation of High Information Projections using Nearest Neighbours

An intuitive method for dimensionality reduction is proposed, which is highly effective for finding interesting projections of multivariate data. Following similar intuitive motivation to a number of existing techniques, the proposed method is based on enhancing the nearest neighbour relationships in the data. The proposed projection arises from the spectral decomposition of a matrix designed to encode the local covariance structure in the data, where the local covariance at a point is captured by pairs of its nearest neighbours. We show that under standard regularity conditions this matrix is a consistent estimator of the so-called ``Density Information Matrix'' (DIM); a non-parametric analogue of the Fisher Information Matrix. Spectral decompositions of DIMs have been shown to be connected with the important problems of Independent Components Analysis and, in the supervised context, Sufficient Dimension Reduction. However, existing estimators of the DIM are computationally expensive to compute and only target the DIM of a surrogate density, which is proportional to the square of the true underlying density. In addition, we go on to explore the practical utility of our method in aiding the downstream tasks of cluster analysis and outlier detection.

stat.ML↗

arXiv2026

ClusBench: The Clustering Benchmark Data Resource You've All Been Waiting For (?)

Although some very common test beds exist for assessing the performance of clustering methods, large scale benchmarking is typically limited to relatively simplistic simulation set-ups. Here we describe the production and curation of close to 3000 synthetic data sets, derived from more than 200 publicly available data sets; the majority of which arose from real-world applications. By fitting a flexible non-parametric distribution to each base data set we are able to retain much of the nuance in real-world data which is difficult to reproduce in standard simulations, while also producing data sets whose sizes are sometimes substantially greater than the data sets from which they are derived. The synthetic data sets, plus an accompanying R package, are available for download from https://github.com/DavidHofmeyr/ClusBench.

stat.OT↗

arXiv2025

Clustering by Nonparametric Smoothing

A novel formulation of the clustering problem is introduced in which the task is expressed as an estimation problem, where the object to be estimated is a function which maps a point to its distribution of cluster membership. Unlike existing approaches which implicitly estimate such a function, like Gaussian Mixture Models (GMMs), the proposed approach bypasses any explicit modelling assumptions and exploits the flexible estimation potential of nonparametric smoothing. An intuitive approach for selecting the tuning parameters governing estimation is provided, which allows the proposed method to automatically determine both an appropriate level of flexibility and also the number of clusters to extract from a given data set. Experiments on a large collection of publicly available data sets are used to document the strong performance of the proposed approach, in comparison with relevant benchmarks from the literature. R code to implement the proposed approach is available from https://github.com/DavidHofmeyr/CNS

cs.LG↗

arXiv2025

Optimal Projections for Classification with Naive Bayes

In the Naive Bayes classification model the class conditional densities are estimated as the products of their marginal densities along the cardinal basis directions. We study the problem of obtaining an alternative basis for this factorisation with the objective of enhancing the discriminatory power of the associated classification model. We formulate the problem as a projection pursuit to find the optimal linear projection on which to perform classification. Optimality is determined based on the multinomial likelihood within which probabilities are estimated using the Naive Bayes factorisation of the projected data. Projection pursuit offers the added benefits of dimension reduction and visualisation. We discuss an intuitive connection with class conditional independent components analysis, and show how this is realised visually in practical applications. The performance of the resulting classification models is investigated using a large collection of (162) publicly available benchmark data sets and in comparison with relevant alternatives. We find that the proposed approach substantially outperforms other popular probabilistic discriminant analysis models and is highly competitive with Support Vector Machines. Code to implement the proposed approach, in the form of an R package, is available from https://github.com/DavidHofmeyr/OPNB

stat.ML↗

arXiv2025

Nearest Neighbour Equilibrium Clustering

A novel and intuitive nearest neighbours based clustering algorithm is introduced, in which a cluster is defined in terms of an equilibrium condition which balances its size and cohesiveness. The formulation of the equilibrium condition allows for a quantification of the strength of alignment of each point to a cluster, with these cluster alignment strengths leading naturally to a model selection criterion which renders the proposed approach fully automatable. The algorithm is simple to implement and computationally efficient, and produces clustering solutions of extremely high quality in comparison with relevant benchmarks from the literature. R code to implement the approach is available from https://github.com/DavidHofmeyr/NNEC.

cs.LG↗

arXiv2025

Bags of Projected Nearest Neighbours: Competitors to Random Forests?

In this paper we introduce a simple and intuitive adaptive k nearest neighbours classifier, and explore its utility within the context of bootstrap aggregating ("bagging"). The approach is based on finding discriminant subspaces which are computationally efficient to compute, and are motivated by enhancing the discrimination of classes through nearest neighbour classifiers. This adaptiveness promotes diversity of the individual classifiers fit across different bootstrap samples, and so further leverages the variance reducing effect of bagging. Extensive experimental results are presented documenting the strong performance of the proposed approach in comparison with Random Forest classifiers, as well as other nearest neighbours based ensembles from the literature, plus other relevant benchmarks. Code to implement the proposed approach is available in the form of an R package from https://github.com/DavidHofmeyr/BOPNN.

cs.LG↗

arXiv2022

Getting more from your regression model: A free lunch?

We consider a simple approach for approximating detailed information about the conditional distribution of a real-valued response variable, given values for its covariates, using only the outputs from a standard regression model. We validate this approach by assessing its performance in the context of quantile regression; when applied to the outputs of linear, gradient boosted tree ensemble and random forest models. We find that it compares favourably to the standard approach for estimating quantile regression functions, especially for commonly selected tail probabilities, and is highly competitive with the quantile regression forest model, across a large collection of benchmark data sets.

stat.ME↗

arXiv2021

Clustering Large Data Sets with Incremental Estimation of Low-density Separating Hyperplanes

An efficient method for obtaining low-density hyperplane separators in the unsupervised context is proposed. Low density separators can be used to obtain a partition of a set of data based on their allocations to the different sides of the separators. The proposed method is based on applying stochastic gradient descent to the integrated density on the hyperplane with respect to a convolution of the underlying distribution and a smoothing kernel. In the case where the bandwidth of the smoothing kernel is decreased towards zero, the bias of these updates with respect to the true underlying density tends to zero, and convergence to a minimiser of the density on the hyperplane can be obtained. A post-processing of the partition induced by a collection of low-density hyperplanes yields an efficient and accurate clustering method which is capable of automatically selecting an appropriate number of clusters. Experiments with the proposed approach show that it is highly competitive in terms of both speed and accuracy when compared with relevant benchmarks. Code to implement the proposed approach is available in the form of an R package from https://github.com/DavidHofmeyr/iMDH.

stat.ML↗

arXiv2020

Optimal Projections for Gaussian Discriminants

The problem of obtaining optimal projections for performing discriminant analysis with Gaussian class densities is studied. Unlike in most existing approaches to the problem, the focus of the optimisation is on the multinomial likelihood based on posterior probability estimates, which directly captures discriminability of classes. In addition to the more commonly considered problem, in this context, of classification, the unsupervised clustering counterpart is also considered. Finding optimal projections offers utility for dimension reduction and regularisation, as well as instructive visualisation for better model interpretability. Practical applications of the proposed approach show considerable promise for both classification and clustering. Code to implement the proposed method is available in the form of an R package from https://github.com/DavidHofmeyr/OPGD.

stat.ME↗

arXiv2020

Degrees of Freedom and Model Selection for k-means Clustering

This paper investigates the model degrees of freedom in k-means clustering. An extension of Stein's lemma provides an expression for the effective degrees of freedom in the k-means model. Approximating the degrees of freedom in practice requires simplifications of this expression, however empirical studies evince the appropriateness of our proposed approach. The practical relevance of this new degrees of freedom formulation for k-means is demonstrated through model selection using the Bayesian Information Criterion. The reliability of this method is validated through experiments on simulated data as well as on a large collection of publicly available benchmark data sets from diverse application areas. Comparisons with popular existing techniques indicate that this approach is extremely competitive for selecting high quality clustering solutions. Code to implement the proposed approach is available in the form of an R package from https://github.com/DavidHofmeyr/edfkmeans.

stat.ML↗

arXiv2020

Fast Kernel Smoothing in R with Applications to Projection Pursuit

This paper introduces the R package FKSUM, which offers fast and exact evaluation of univariate kernel smoothers. The main kernel computations are implemented in C++, and are wrapped in simple, intuitive and versatile R functions. The fast kernel computations are based on recursive expressions involving the order statistics, which allows for exact evaluation of kernel smoothers at all sample points in log-linear time. In addition to general purpose kernel smoothing functions, the package offers purpose built and ready-to-use implementations of popular kernel-type estimators. On top of these basic smoothing problems, this paper focuses on projection pursuit problems in which the projection index is based on kernel-type estimators of functionals of the projected density.

stat.CO↗

arXiv2019

Fast Exact Univariate Kernel Density Estimation

This paper presents new methodology for computationally efficient kernel density estimation. It is shown that a large class of kernels allows for exact evaluation of the density estimates using simple recursions. The same methodology can be used to compute density derivative estimates exactly. Given an ordered sample the computational complexity is linear in the sample size. Combining the proposed methodology with existing approximation methods results in extremely fast density estimation. Extensive experimentation documents the effectiveness and efficiency of this approach compared with the existing state-of-the-art.

stat.CO↗

arXiv2018

Connecting Spectral Clustering to Maximum Margins and Level Sets

We study the connections between spectral clustering and the problems of maximum margin clustering, and estimation of the components of level sets of a density function. Specifically, we obtain bounds on the eigenvectors of graph Laplacian matrices in terms of the between cluster separation, and within cluster connectivity. These bounds ensure that the spectral clustering solution converges to the maximum margin clustering solution as the scaling parameter is reduced towards zero. The sensitivity of maximum margin clustering solutions to outlying points is well known, but can be mitigated by first removing such outliers, and applying maximum margin clustering to the remaining points. If outliers are identified using an estimate of the underlying probability density, then the remaining points may be seen as an estimate of a level set of this density function. We show that such an approach can be used to consistently estimate the components of the level sets of a density function under very mild assumptions.

stat.ML↗

arXiv2017

Minimum Spectral Connectivity Projection Pursuit

We study the problem of determining the optimal low dimensional projection for maximising the separability of a binary partition of an unlabelled dataset, as measured by spectral graph theory. This is achieved by finding projections which minimise the second eigenvalue of the graph Laplacian of the projected data, which corresponds to a non-convex, non-smooth optimisation problem. We show that the optimal univariate projection based on spectral connectivity converges to the vector normal to the maximum margin hyperplane through the data, as the scaling parameter is reduced to zero. This establishes a connection between connectivity as measured by spectral graph theory and maximal Euclidean separation. The computational cost associated with each eigen-problem is quadratic in the number of data. To mitigate this issue, we propose an approximation method using microclusters with provable approximation error bounds. Combining multiple binary partitions within a divisive hierarchical model allows us to construct clustering solutions admitting clusters with varying scales and lying within different subspaces. We evaluate the performance of the proposed method on a large collection of benchmark datasets and find that it compares favourably with existing methods for projection pursuit and dimension reduction for data clustering.

stat.ML↗

arXiv2016

Minimum Density Hyperplanes

Associating distinct groups of objects (clusters) with contiguous regions of high probability density (high-density clusters), is central to many statistical and machine learning approaches to the classification of unlabelled data. We propose a novel hyperplane classifier for clustering and semi-supervised classification which is motivated by this objective. The proposed minimum density hyperplane minimises the integral of the empirical probability density function along it, thereby avoiding intersection with high density clusters. We show that the minimum density and the maximum margin hyperplanes are asymptotically equivalent, thus linking this approach to maximum margin clustering and semi-supervised support vector classifiers. We propose a projection pursuit formulation of the associated optimisation problem which allows us to find minimum density hyperplanes efficiently in practice, and evaluate its performance on a range of benchmark datasets. The proposed approach is found to be very competitive with state of the art methods for clustering and semi-supervised classification.

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