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 Clustering


Density Estimation via Discrepancy Based Adaptive Sequential Partition

Neural Information Processing Systems

Given iidobservations from an unknown absolute continuous distribution defined on some domain โ„ฆ, we propose a nonparametric method to learn a piecewise constant function to approximate the underlying probability density function. Our density estimate is a piecewise constant function defined on a binary partition of โ„ฆ. The key ingredient of the algorithm is to use discrepancy, a concept originates from Quasi Monte Carlo analysis, to control the partition process. The resulting algorithm is simple, efficient, and has a provable convergence rate. We empirically demonstrate its efficiency as a density estimation method. We also show how it can be utilized to find good initializations for k-means.


Explainable cluster analysis: a bagging approach

arXiv.org Machine Learning

A major limitation of clustering approaches is their lack of explainability: methods rarely provide insight into which features drive the grouping of similar observations. To address this limitation, we propose an ensemble-based clustering framework that integrates bagging and feature dropout to generate feature importance scores, in analogy with feature importance mechanisms in supervised random forests. By leveraging multiple bootstrap resampling schemes and aggregating the resulting partitions, the method improves stability and robustness of the cluster definition, particularly in small-sample or noisy settings. Feature importance is assessed through an information-theoretic approach: at each step, the mutual information between each feature and the estimated cluster labels is computed and weighted by a measure of clustering validity to emphasize well-formed partitions, before being aggregated into a final score. The method outputs both a consensus partition and a corresponding measure of feature importance, enabling a unified interpretation of clustering structure and variable relevance. Its effectiveness is demonstrated on multiple simulated and real-world datasets.


On the cohesion and separability of average-link for hierarchical agglomerative clustering

Neural Information Processing Systems

Average-link is widely recognized as one of the most popular and effective methods for building hierarchical agglomerative clustering. The available theoretical analyses show that this method has a much better approximation than other popular heuristics, as single-linkage and complete-linkage, regarding variants of Dasgupta's cost function [STOC 2016]. However, these analyses do not separate average-link from a random hierarchy and they are not appealing for metric spaces since every hierarchical clustering has a $1/2$ approximation with regard to the variant of Dasgupta's functionthat is employed for dissimilarity measures [Moseley and Yang 2020]. In this paper, we present a comprehensive study of the performance of \avglink \, in metric spaces, regarding several natural criteria that capture separability and cohesion, and are more interpretable than Dasgupta's cost function and its variants. We also present experimental results with real datasets that, together with our theoretical analyses, suggest that average-link is a better choice than other related methods when both cohesion and separability are important goals.


Interactive Deep Clustering via Value Mining

Neural Information Processing Systems

In the absence of class priors, recent deep clustering methods resort to data augmentation and pseudo-labeling strategies to generate supervision signals. Though achieved remarkable success, existing works struggle to discriminate hard samples at cluster boundaries, mining which is particularly challenging due to their unreliable cluster assignments. To break such a performance bottleneck, we propose incorporating user interaction to facilitate clustering instead of exhaustively mining semantics from the data itself. To be exact, we present Interactive Deep Clustering (IDC), a plug-and-play method designed to boost the performance of pre-trained clustering models with minimal interaction overhead. More specifically, IDC first quantitatively evaluates sample values based on hardness, representativeness, and diversity, where the representativeness avoids selecting outliers and the diversity prevents the selected samples from collapsing into a small number of clusters. IDC then queries the cluster affiliations of high-value samples in a user-friendly manner.


The Map Equation Goes Neural: Mapping Network Flows with Graph Neural Networks

Neural Information Processing Systems

Community detection is an essential tool for unsupervised data exploration and revealing the organisational structure of networked systems. With a long history in network science, community detection typically relies on objective functions, optimised with custom-tailored search algorithms, but often without leveraging recent advances in deep learning. Recently, first works have started incorporating such objectives into loss functions for deep graph clustering and pooling. We consider the map equation, a popular information-theoretic objective function for unsupervised community detection, and express it in differentiable tensor form for optimisation through gradient descent. Our formulation turns the map equation compatible with any neural network architecture, enables end-to-end learning, incorporates node features, and chooses the optimal number of clusters automatically, all without requiring explicit regularisation. Applied to unsupervised graph clustering tasks, we achieve competitive performance against state-of-the-art deep graph clustering baselines in synthetic and real-world datasets.


A Dirichlet Mixture Model of Hawkes Processes for Event Sequence Clustering

Neural Information Processing Systems

How to cluster event sequences generated via different point processes is an interesting and important problem in statistical machine learning. To solve this problem, we propose and discuss an effective model-based clustering method based on a novel Dirichlet mixture model of a special but significant type of point processes --- Hawkes process. The proposed model generates the event sequences with different clusters from the Hawkes processes with different parameters, and uses a Dirichlet process as the prior distribution of the clusters. We prove the identifiability of our mixture model and propose an effective variational Bayesian inference algorithm to learn our model. An adaptive inner iteration allocation strategy is designed to accelerate the convergence of our algorithm. Moreover, we investigate the sample complexity and the computational complexity of our learning algorithm in depth. Experiments on both synthetic and real-world data show that the clustering method based on our model can learn structural triggering patterns hidden in asynchronous event sequences robustly and achieve superior performance on clustering purity and consistency compared to existing methods.


Subspace Clustering via Tangent Cones

Neural Information Processing Systems

Given samples lying on any of a number of subspaces, subspace clustering is the task of grouping the samples based on the their corresponding subspaces. Many subspace clustering methods operate by assigning a measure of affinity to each pair of points and feeding these affinities into a graph clustering algorithm. This paper proposes a new paradigm for subspace clustering that computes affinities based on the corresponding conic geometry. The proposed conic subspace clustering (CSC) approach considers the convex hull of a collection of normalized data points and the corresponding tangent cones. The union of subspaces underlying the data imposes a strong association between the tangent cone at a sample $x$ and the original subspace containing $x$. In addition to describing this novel geometric perspective, this paper provides a practical algorithm for subspace clustering that leverages this perspective, where a tangent cone membership test is used to estimate the affinities. This algorithm is accompanied with deterministic and stochastic guarantees on the properties of the learned affinity matrix, on the true and false positive rates and spread, which directly translate into the overall clustering accuracy.


Approximation Bounds for Hierarchical Clustering: Average Linkage, Bisecting K-means, and Local Search

Neural Information Processing Systems

Hierarchical clustering is a data analysis method that has been used for decades. Despite its widespread use, the method has an underdeveloped analytical foundation. Having a well understood foundation would both support the currently used methods and help guide future improvements. The goal of this paper is to give an analytic framework to better understand observations seen in practice. This paper considers the dual of a problem framework for hierarchical clustering introduced by Dasgupta.


Clustering Stable Instances of Euclidean k-means.

Neural Information Processing Systems

The Euclidean k-means problem is arguably the most widely-studied clustering problem in machine learning. While the k-means objective is NP-hard in the worst-case, practitioners have enjoyed remarkable success in applying heuristics like Lloyd's algorithm for this problem. To address this disconnect, we study the following question: what properties of real-world instances will enable us to design efficient algorithms and prove guarantees for finding the optimal clustering? We consider a natural notion called additive perturbation stability that we believe captures many practical instances of Euclidean k-means clustering. Stable instances have unique optimal k-means solutions that does not change even when each point is perturbed a little (in Euclidean distance). This captures the property that k-means optimal solution should be tolerant to measurement errors and uncertainty in the points. We design efficient algorithms that provably recover the optimal clustering for instances that are additive perturbation stable. When the instance has some additional separation, we can design a simple, efficient algorithm with provable guarantees that is also robust to outliers. We also complement these results by studying the amount of stability in real datasets, and demonstrating that our algorithm performs well on these benchmark datasets.


Fair Clustering Through Fairlets

Neural Information Processing Systems

We study the question of fair clustering under the {\em disparate impact} doctrine, where each protected class must have approximately equal representation in every cluster. We formulate the fair clustering problem under both the k-center and the k-median objectives, and show that even with two protected classes the problem is challenging, as the optimum solution can violate common conventions---for instance a point may no longer be assigned to its nearest cluster center! En route we introduce the concept of fairlets, which are minimal sets that satisfy fair representation while approximately preserving the clustering objective. We show that any fair clustering problem can be decomposed into first finding good fairlets, and then using existing machinery for traditional clustering algorithms. While finding good fairlets can be NP-hard, we proceed to obtain efficient approximation algorithms based on minimum cost flow. We empirically demonstrate the \emph{price of fairness} by quantifying the value of fair clustering on real-world datasets with sensitive attributes.