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 Clustering


Clustering with Bregman Divergences: an Asymptotic Analysis

Neural Information Processing Systems

Clustering, in particular k-means clustering, is a central topic in data analysis. Clustering with Bregman divergences is a recently proposed generalization of k-means clustering which has already been widely used in applications. In this paper we analyze theoretical properties of Bregman clustering when the number of the clusters k is large. We establish quantization rates and describe the limiting distribution of the centers as k, extending well-known results for k-means clustering.


Fast estimation of Gaussian mixture components via centering and singular value thresholding

arXiv.org Machine Learning

Estimating the number of components is a fundamental challenge in unsupervised learning, particularly when dealing with high-dimensional data with many components or severely imbalanced component sizes. This paper addresses this challenge for classical Gaussian mixture models. The proposed estimator is simple: center the data, compute the singular values of the centered matrix, and count those above a threshold. No iterative fitting, no likelihood calculation, and no prior knowledge of the number of components are required. We prove that, under a mild separation condition on the component centers, the estimator consistently recovers the true number of components. The result holds in high-dimensional settings where the dimension can be much larger than the sample size. It also holds when the number of components grows to the smaller of the dimension and the sample size, even under severe imbalance among component sizes. Computationally, the method is extremely fast: for example, it processes ten million samples in one hundred dimensions within one minute. Extensive experimental studies confirm its accuracy in challenging settings such as high dimensionality, many components, and severe class imbalance.



Statistical Inference for Cluster Trees

Neural Information Processing Systems

A cluster tree provides a highly-interpretable summary of a density function by representing the hierarchy of its high-density clusters. It is estimated using the empirical tree, which is the cluster tree constructed from a density estimator. This paper addresses the basic question of quantifying our uncertainty by assessing the statistical significance of topological features of an empirical cluster tree. We first study a variety of metrics that can be used to compare different trees, analyze their properties and assess their suitability for inference. We then propose methods to construct and summarize confidence sets for the unknown true cluster tree. We introduce a partial ordering on cluster trees which we use to prune some of the statistically insignificant features of the empirical tree, yielding interpretable and parsimonious cluster trees. Finally, we illustrate the proposed methods on a variety of synthetic examples and furthermore demonstrate their utility in the analysis of a Graft-versus-Host Disease (GvHD) data set.


A proposal for PU classification under Non-SCAR using clustering and logistic model

arXiv.org Machine Learning

The present study aims to investigate a cluster cleaning algorithm that is both computationally simple and capable of solving the PU classification when the SCAR condition is unsatisfied. A secondary objective of this study is to determine the robustness of the LassoJoint method to perturbations of the SCAR condition. In the first step of our algorithm, we obtain cleaning labels from 2-means clustering. Subsequently, we perform logistic regression on the cleaned data, assigning positive labels from the cleaning algorithm with additional true positive observations. The remaining observations are assigned the negative label. The proposed algorithm is evaluated by comparing 11 real data sets from machine learning repositories and a synthetic set. The findings obtained from this study demonstrate the efficacy of the clustering algorithm in scenarios where the SCAR condition is violated and further underscore the moderate robustness of the LassoJoint algorithm in this context.


Scalable Model-Based Clustering with Sequential Monte Carlo

arXiv.org Machine Learning

In online clustering problems, there is often a large amount of uncertainty over possible cluster assignments that cannot be resolved until more data are observed. This difficulty is compounded when clusters follow complex distributions, as is the case with text data. Sequential Monte Carlo (SMC) methods give a natural way of representing and updating this uncertainty over time, but have prohibitive memory requirements for large-scale problems. We propose a novel SMC algorithm that decomposes clustering problems into approximately independent subproblems, allowing a more compact representation of the algorithm state. Our approach is motivated by the knowledge base construction problem, and we show that our method is able to accurately and efficiently solve clustering problems in this setting and others where traditional SMC struggles.


Joint Representation Learning and Clustering via Gradient-Based Manifold Optimization

arXiv.org Machine Learning

Clustering and dimensionality reduction have been crucial topics in machine learning and computer vision. Clustering high-dimensional data has been challenging for a long time due to the curse of dimensionality. For that reason, a more promising direction is the joint learning of dimension reduction and clustering. In this work, we propose a Manifold Learning Framework that learns dimensionality reduction and clustering simultaneously. The proposed framework is able to jointly learn the parameters of a dimension reduction technique (e.g. linear projection or a neural network) and cluster the data based on the resulting features (e.g. under a Gaussian Mixture Model framework). The framework searches for the dimension reduction parameters and the optimal clusters by traversing a manifold,using Gradient Manifold Optimization. The obtained The proposed framework is exemplified with a Gaussian Mixture Model as one simple but efficient example, in a process that is somehow similar to unsupervised Linear Discriminant Analysis (LDA). We apply the proposed method to the unsupervised training of simulated data as well as a benchmark image dataset (i.e. MNIST). The experimental results indicate that our algorithm has better performance than popular clustering algorithms from the literature.


Forecasting Multivariate Time Series under Predictive Heterogeneity: A Validation-Driven Clustering Framework

arXiv.org Machine Learning

We study adaptive pooling under predictive heterogeneity in high-dimensional multivariate time series forecasting, where global models improve statistical efficiency but may fail to capture heterogeneous predictive structure, while naive specialization can induce negative transfer. We formulate adaptive pooling as a statistical decision problem and propose a validation-driven framework that determines when and how specialization should be applied. Rather than grouping series based on representation similarity, we define partitions through out-of-sample predictive performance, thereby aligning data organization with predictive risk, defined as expected out-of-sample loss and approximated via validation error. Cluster assignments are iteratively updated using validation losses for both point (Huber) and probabilistic (pinball) forecasting, improving robustness to heavy-tailed errors and local anomalies. To ensure reliability, we introduce a leakage-free fallback mechanism that reverts to a global model whenever specialization fails to improve validation performance, providing a safeguard against performance degradation under a strict training-validation-test protocol. Experiments on large-scale traffic datasets demonstrate consistent improvements over strong baselines while avoiding degradation when heterogeneity is weak. Overall, the proposed framework provides a principled and practically reliable approach to adaptive pooling in high-dimensional forecasting problems.


Asymptotic Theory for Graphical SLOPE: Precision Estimation and Pattern Convergence

arXiv.org Machine Learning

This paper studies Graphical SLOPE for precision matrix estimation, with emphasis on its ability to recover both sparsity and clusters of edges with equal or similar strength. In a fixed-dimensional regime, we establish that the root-$n$ scaled estimation error converges to the unique minimizer of a strictly convex optimization problem defined through the directional derivative of the SLOPE penalty. We also establish convergence of the induced SLOPE pattern, thereby obtaining an asymptotic characterization of the clustering structure selected by the estimator. A comparison with GLASSO shows that the grouping property of SLOPE can substantially improve estimation accuracy when the precision matrix exhibits structured edge patterns. To assess the effect of departures from Gaussianity, we then analyze Gaussian-loss precision matrix estimation under elliptical distributions. In this setting, we derive the limiting distribution and quantify the inflation in variability induced by heavy tails relative to the Gaussian benchmark. We also study TSLOPE, based on the multivariate $t$-loss, and derive its limiting distribution. The results show that TSLOPE offers clear advantages over GSLOPE under heavy-tailed data-generating mechanisms. Simulation evidence suggests that these qualitative conclusions persist in high-dimensional settings, and an empirical application shows that SLOPE-based estimators, especially TSLOPE, can uncover economically meaningful clustered dependence structures.


Distributionally Robust K-Means Clustering

arXiv.org Machine Learning

In recent years, the widespreadavailability of large-scale, high-dimensionaldatasets has driven significant interest in clustering algorithms that are both computationally efficient and robust to distributional shifts and outliers. The classical clustering method, K-means, can be seen as an application of the Lloyd-Max quantization algorithm, in which the distribution being quantized is the empirical distribution of the points to be clustered. This empirical distribution generally differs from the true underlying distribution, especially when the number of points to be clustered is small. This induces a distributional shift, which can also arise in many real-world settings, such as image segmentation, biological data analysis, and sensor networks, due to noise variations, sensor inaccuracies, or environmental changes. Distributional shifts can severely impact the performance of clustering algorithms, leading to degraded cluster assignments and unreliable downstream analysis. The field of clustering has a rich history. One of the most popular algorithms in this field is theK-means (KM) algorithm, introduced by [1], which computes centroids by iteratively updating the conditional mean of the data in the Voronoi regions induced by the centroids. However, standardK-means is sensitive to initialization and, in general, converges only to a local minimum.