Image Clustering

This work presents a novel method for fitting superquadrics to point clouds under the contamination of noise and outliers, which has many applications for shape modeling across diverse fields. Unlike prior approaches that either exclusively focus on fitting rigid or deformable superquadrics, or suffer from robustness and numerical instability issues, our method redefines the problem from a new unsupervised clustering perspective, enabling the holistic fitting of both rigid and deformable superquadrics within a unified framework. Central to our approach is a stable optimization function inspired by unsupervised clustering analysis, where we formulate the point cloud data and samples from the potential parametric surface as clustering members and centroids, respectively. Then, the clustering process with dynamic updates to centroid locations serves as a direct proxy for optimizing superquadric parameters, establishing a principled link between geometric fitting and clustering dynamics. We further derive the relationship between pairwise computations of clustering centroids and clustering members to orthogonal distances, effectively eliminating the need for the time-consuming surface sampling process. Moreover, our formulation provides closed-form analytical solutions for both the fuzzy membership degree vector and the covariance matrix, ensuring efficient iteration optimization and enabling more effective handling of geometric deformations. In addition, we provide a theoretical certificate of convergence analysis and demonstrate that the clustering-inspired fitting method can escape local minima by inherently increasing the convexity of the objective function. The implementation is publicly available at https://github.com/zikai1/SuperquadricFitting.

Existing clustering methods for functional data often prioritize partitioning accuracy over interpretability, making it challenging to extract meaningful insights when the data-generating process follows a specific underlying structure and an ordinal relationship among clusters is suspected. This work introduces K-Models, a novel framework that integrates ordinal constraints and estimates key underlying elements of the random process generating the observed functional profiles, improving both interpretability and structure identification. The proposed method is evaluated through simulations and real-world applications. In particular, it is tested on Region of Interest (ROI) curves, which represent reaction profiles from a reflectometric sensor monitoring biomolecular interactions, such as antigen-antibody binding. These curves represent changes in reflected light intensity over time at multiple measurement spots with immobilized antigens during analyte exposure, capturing the binding dynamics of the system. The goal is to identify intrinsic signal patterns solely from the observed dynamics, making this dataset an ideal benchmark for assessing the added interpretability of the proposed approach. By incorporating structural assumptions into the clustering process, K-Models enhances interpretability while maintaining performance comparable to state-of-the-art techniques, providing a valuable tool for analyzing functional data with an underlying ordinal structure.

Topological clustering, and its main algorithm ToMATo, is a clustering method from Topological Data Analysis (TDA) which has been applied successfully in several applications during the last few years. This is due to its high versatility, as clusters are detected from the persistent components in the sublevel sets of any user-defined function (gene expression, pixel values, etc), and efficiency, as topological clustering enjoys robustness guarantees. However, ToMATo is also limited in several ways. First, a graph on the data points needs to be provided as a hyper-parameter of the method (whose fine-tuning is left to the user). Second, ToMATo is known to be very sensitive to outlier values in the function range. Finally, and most importantly, ToMATo can only handle one function at a time, whereas it is critical to use several functions in various applications. In this article, we introduce ToMAToMP: the first topological clustering method able to handle several functions at the same time with theoretical guarantees. More specifically, we leverage a recent tool from multi-parameter persistent homology, called MMA decomposition, to design our clustering algorithm, and prove that it enjoys robustness properties. As corollaries, we show that it can be used to make ToMATo independent of graph tuning, and robust to outliers. Finally, we provide a set of numerical experiments showcasing the efficiency and quality of the clusterings produced by ToMAToMP, by showing strong improvement over non-topological and topological baselines for various datasets.

Clustering is an unsupervised machine learning task that consists of identifying groups of similar objects. It has numerous applications and is increasingly used in fairness-sensitive domains where objects represent individuals, such as customers, employees, or students. We address a fair clustering problem in which objects belong to protected groups. The problem consists of partitioning the objects into a predefined number of clusters while attaining a user-defined target level of fairness, meaning that each protected group is sufficiently represented in each cluster. The objective is to minimize the clustering cost, defined as the sum of squared Euclidean distances between the objects and the centers of their clusters. Since clustering cost and fairness are generally in conflict, managing the trade-off between them is essential in practical applications. Existing methods provide limited control over this trade-off and either fail to scale to large datasets or, when they scale, produce low-quality solutions. We propose a general framework for fair clustering that provides precise control over the cost-fairness trade-off and introduce three heuristics based on it. The first heuristic focuses on solution quality and the flexibility to incorporate additional constraints, the second improves scalability while retaining high solution quality, and the third is designed for maximum scalability, producing solutions for instances with millions of objects in seconds. The proposed heuristics outperform existing approaches in comprehensive numerical experiments on benchmark datasets. The source code of our heuristics and instructions for reproducing the experiments are publicly available on GitHub.

This paper introduces an algorithm-agnostic approach to feature-based time series clustering via amortized neural inference. By training neural networks to approximate the optimal partitioning rule from simulated data, the proposed framework reduces reliance on conventional clustering methods, such as $K$-means, $K$-medoids, or hierarchical clustering, and their associated objective functions and heuristics. Leveraging statistical features, such as autocorrelations and quantile autocorrelations, the approach learns a data-driven affinity structure from which clustering partitions can be recovered, without requiring explicit prior specification of cluster shapes or structures. In addition, one version of the method can automatically determine the number of clusters, avoiding ad-hoc selection procedures. Comprehensive empirical studies show that the proposed framework achieves competitive or superior clustering accuracy relative to traditional methods, even in challenging scenarios where competing techniques are provided with the true number of clusters. An application to financial time series of stock returns illustrates its practical utility. By reducing the need for algorithm selection and calibration, the proposed framework opens new possibilities for automated, adaptive, and data-driven clustering of temporal data across scientific and industrial domains.

Image clustering aims to partition unlabeled image datasets into distinct groups. A core aspect of this task is constructing and leveraging prior knowledge to guide the clustering process. Recent approaches introduce semantic descriptions as prior information, most of which typically relying on matching-based techniques with predefined vocabularies. However, the limited matching space restricts their adaptability to downstream clustering tasks. Moreover, these methods primarily focus on reducing bias to improve performance, frequently overlooking the importance of variance reduction. To address these limitations, we propose GSEC (Image Clustering based on Generative Semantic Guidance and Bi-Layer Ensemble), a framework designed to reduce bias through generative semantic guidance and mitigate variance via ensemble learning. Our method employs Multimodal Large Language Models to generate semantic descriptions and derive image embeddings via weighted averaging. Additionally, a bi-layer ensemble strategy integrates cross-modal information through BatchEnsemble in the inner layer and aligns outputs via an alignment mechanism in the outer layer. Comparative experiments demonstrate that GSEC outperforms 18 state-of-the-art methods across six benchmark datasets, while further analysis confirms its effectiveness in simultaneously reducing both bias and variance. The code is available at https://github.com/2017LI/GSEC.git.

Sparse Mixture-of-Experts (SMoE) models enable scaling language models efficiently, but training them remains challenging, as routing can collapse onto few experts and auxiliary load-balancing losses can reduce specialization. Motivated by these hurdles, we study how routing decisions in SMoEs are formed mechanistically. First, we reveal a geometric coupling between routers and their corresponding experts. For a given token, the router weights for the selected expert and the expert weights processing it receive gradients along the same input direction, differing only in scalar coefficients. Thus, matched router--expert directions accumulate the same routed token history. This theoretical coupling also appears empirically in routing dynamics. In a $1$B SMoE trained from scratch, higher router scores predict stronger expert neuron activations, showing that routing decisions are mirrored inside the selected expert. Next, we analyze the effects of auxiliary load balancing on the router--expert geometric coupling, showing that such losses break this structure by spreading input-directed gradients across router weights, making distinct router directions nearly three times more similar to each other. Last, we demonstrate the centrality of geometric coupling for effective routing with a parameter-free online K-Means router, in which each expert maintains a running average of the hidden states routed to it and tokens are assigned based on cosine similarity. Compared with auxiliary-loss and loss-free balancing, this router achieves the lowest load imbalance with only a modest perplexity increase, indicating that geometric coupling captures a substantial part of what the router learns. Overall, our results explain how routers form assignment geometry that supports an effective division of labor.

Self-supervised learning (SSL) is recognized as an essential tool for building foundation models for Artificial Intelligence applications. The advances in SSL have been made thanks to vigorous arguments about the principles of SSL and through extensive empirical research. The aim of this paper is to contribute to the development of the underpinning theory of SSL, focusing on the deep clustering approach. By analogy to supervised learning, we formulate SSL as K-L divergence optimization. The mode collapse is prevented by imposing an optimisation constraint on the teacher distribution. This leads to normalization using inverse cluster priors. We show that using Jensen inequality this normalization simplifies to the popular batch centering procedure. Distillation and centering are common {heuristics-based} practices in SSL, {but our work underpins them theoretically.} The theoretical model developed not only supports specific existing successful SSL methods, but also suggests directions for future investigations.

Hierarchical federated learning (HFL) leverages edge servers for partial aggregation in edge computing. Yet existing FL methods lack mechanisms for jointly optimizing cluster assignment and client selection under data heterogeneity. This paper proposes Fed-BAC, which integrates additive cluster personalization with a two-level bandit framework: contextual bandits at the cloud learn server-to-cluster assignments, while Thompson Sampling at each edge server identifies high-contributing clients. The additive decomposition enables the sharing of knowledge between groups through a globally aggregated network, while cluster-specific networks capture distribution variations. Across three classification benchmarks (CIFAR-10, SVHN, Fashion-MNIST) under moderate ($α= 0.5$) and severe ($α= 0.1$) Dirichlet non-IID partitioning, Fed-BAC achieves distributed accuracy gains of up to +35.5pp over HierFAVG and +8.4pp over IFCA, while requiring only 80% client participation, converging 1.5 to 4.8$\times$ faster depending on dataset and accuracy target, and improving cross-server fairness. These gains are further validated at 5$\times$ deployment scale on CIFAR-10. The advantage of Fed-BAC increases with heterogeneity severity, confirming that additive cluster personalization becomes increasingly valuable as data distributions diverge.

Web search queries concern place far more often than existing labelling schemes suggest, yet the landscape of geospatial web search queries - what people ask of place, and how often - remains poorly characterised at scale. We apply dense sentence embeddings, a lightweight SetFit classifier, and density-based clustering to the full MS MARCO corpus of 1.01 million real Bing queries without prior filtering for toponyms or spatial keywords, identifying 181,827 geospatial queries (18.0%), nearly threefold the 6.17% labelled as Location in the original annotations. The resulting taxonomy of 88 query categories reveals that geospatial web search is dominated by transactional and practical lookups: costs and prices alone account for 15.3% of geospatial queries, nearly twice the size of the entire physical geography theme. Much of this activity - costs, opening hours, contact details, weather, travel recommendations - falls outside the scope of what traditional GIS and knowledge graphs are built to serve. The categories vary substantially in the kind of answer they admit, from deterministic lookups answerable from spatial databases or knowledge graphs to evaluative or temporally volatile queries that require generative or real-time systems. We discuss implications for hybrid retrieval architectures and for benchmarks of geographic reasoning in large language models. We openly release the labelled dataset, classifier, and taxonomy.

Disagreement in annotation is a common phenomenon in the development of NLP datasets and serves as a valuable source of insight. While majority voting remains the dominant strategy for aggregating labels, recent work has explored modeling individual annotators to preserve their perspectives. However, modeling each annotator is resource-intensive and remains underexplored across various NLP tasks. We propose an agreement-based clustering technique to model the disagreement between the annotators. We conduct comprehensive experiments in 40 datasets in 18 typologically diverse languages, covering three subjective NLP tasks: sentiment analysis, emotion classification, and hate speech detection. We evaluate four aggregation approaches: majority vote, ensemble, multi-label, and multitask. The results demonstrate that agreement-based clustering can leverage the full spectrum of annotator perspectives and significantly enhance classification performance in subjective NLP tasks compared to majority voting and individual annotator modeling. Regarding the aggregation approach, the multi-label and multitask approaches are better for modeling clustered annotators than an ensemble and model majority vote.

Mode separation, namely how sharply a distribution fragments into barrier-separated clusters, is a fundamental geometric property of densities, difficult to quantify in high dimensions. It is structurally distinct from dispersion, yet existing tools fall short: differential entropy rises with spread regardless of fragmentation, PCA orders directions by variance regardless of barriers, and mutual information requires a mixture decomposition one usually does not have. We measure mode separation through a single stochastic process intrinsic to the density: a unique reversible diffusion with $f$ as its stationary distribution and constant scalar diffusion coefficient. We extract two readouts from its autocovariance matrix: SSA (Sum of Squared Autocorrelations), a scalar barrier-sensitive measure; and DA (Dominant Autocorrelation directions), linear projections ordered by metastability rather than variance. Under an isotropic-Gaussian null, we derive a closed-form spectrum for the empirical autocovariance that generalizes Marchenko--Pastur, with an analytic upper edge that selects the lag at which DA is read off. Both readouts use only samples and a score function, scaling to high dimensions through pretrained score-based generative models via Tweedie's identity. We apply our framework to three settings: (i) synthetic Gaussian mixtures, where SSA tracks mutual information; (ii) SDXL text-to-image generations, where SSA and DA capture structure that entropy and PCA miss; and (iii) molecular dynamics of alanine dipeptide, where DA recovers the known slow backbone dihedrals from static samples alone.

Existing granular-ball generation methods are still mainly driven by handcrafted quality measures and heuristic splitting or stopping criteria, which may weaken the transparency of local generation decisions in clustering. To address this issue, this paper proposes Minimum Description Length based Granular-Ball Generation (MDL-GBG), a non-parametric and interpretable granular-ball generation method for clustering. MDL-GBG reformulates granular-ball generation as a local model selection problem under the Minimum Description Length principle. For each granular ball, three candidate explanations are compared, namely a single-ball model, a two-ball model, and a core-ball-plus-residual model, and the model with the shortest description length is selected. In this way, ball retention, splitting, and residual peeling are unified within a common coding-theoretic framework. A residual reassignment mechanism is further introduced to re-evaluate peeled-off boundary samples after stable granular-balls are formed. Experiments on 20 UCI datasets show that the stable granular-balls generated by MDL-GBG provide an effective upstream representation for clustering. In particular, MDL-GBG+AC achieves the best average ranks in ARI, ACC, and NMI among the compared methods. These results indicate that MDL-GBG offers a principled and interpretable alternative to heuristic granular-ball generation strategies.

Online clustering methods that adaptively create and update nodes as data arrive often make node learning explicit, whereas the mapping from the learned node state to output clusters often remains implicit or simplified. Implicit mappings make output clusters sensitive to weak graph bridges or local relations based on distance in the graph over learned nodes, leaving no explicit constraint on which node groups remain intact during mapping. This paper addresses this gap by proposing PHIDA, a persistence-guided node-to-cluster mapping method for online clustering with learned nodes. PHIDA implements this mapping within Adaptive Resonance Theory (ART)-based online clustering by combining Inverse-Distance ART (IDA) node learning with node-to-cluster mapping constrained by Persistent Homology (PH). Experiments on 24 benchmark datasets show that PHIDA achieves the best average ranks in stationary comparisons that include the recent stationary-only clustering methods, while also improving aggregate performance in the nonstationary setting over the evaluated online methods that adaptively create and update nodes. Ablations and comparisons with conventional node-to-cluster mappings indicate that the observed gains are associated with PH-constrained mapping that preserves raw PH components, together with the use of the PH component view during node learning. Source code is available at https://github.com/Masuyama-lab/PHIDA

3D semantic scene understanding is essential for digital twins, autonomous driving, smart agriculture, and embodied perception, yet dense point-wise annotation for point clouds remains expensive and difficult to scale. Existing annotation-free methods often face a trade-off between semantic recognition and structural efficiency: open-vocabulary and foundation-model-driven methods provide strong semantic priors, but often come with substantial computational costs, while structure-oriented methods based on superpoints, clustering, and graph reasoning are lightweight but often produce category-agnostic regions. We propose DDS, a resource-efficient structure-oriented framework for region-consistent and semanticized annotation-free 3D scene understanding. DDS preserves the lightweight superpoint-based organization paradigm while incorporating visual semantic cues from projected features and segmentation-derived masks. It first performs multi-granularity distillation to guide the 3D backbone at the point, mask-prototype, and inter-prototype levels, then applies graph diffusion over superpoints to propagate semantic information directly in 3D, producing coherent region representations without costly spectral decomposition or dense open-vocabulary 3D feature fields. Finally, DDS uses segmentation-cluster association to assign interpretable semantic names to category-agnostic 3D clusters. Experiments on real-world datasets show that DDS achieves the best performance among representative structure-oriented annotation-free baselines, improving oAcc, mAcc, and mIoU by up to 5.9%, 8.1%, and 2.4%, respectively. These results demonstrate that DDS improves region consistency and lightweight semantic recognition, providing a scalable and interpretable solution for annotation-free 3D scene understanding.

Modern online mass spectrometry generates multi-terabyte data streams critical for understanding Earth's environmental systems. However, extracting actionable chemical insights from these repositories is impeded by a computational bottleneck: existing clustering methods force a compromise among scalability, metric flexibility, and algorithmic stability. Here, we introduce Flexible Adaptive Stable Clustering (FASC), a dynamical systems framework that resolves these constraints by architecturally decoupling the similarity kernel from rigorous optimization logic. Unlike legacy heuristics that suffer from stochastic drift and algorithmic blending, FASC employs a Density-Augmented Similarity Selection rule and geometric constraints to guarantee deterministic, order-independent convergence. After validating FASC on canonical machine-learning ground truths (achieving >99.5% cluster purity and 0.99 Adjusted Rand Index), we deployed the framework on 25 million mass spectra of atmospheric aerosols. Demonstrating strictly linear empirical runtime scaling (O(N)), FASC autonomously mapped atmospheric aging pathways of secondary inorganic aerosols while isolating ultra-rare industrial tracers (<0.2% abundance), providing a scalable infrastructure for mining environmental big data.

Being robust to the presence of outliers is crucial for applying clustering algorithms in practice. In the \textit{robust k-Means} problem (i.e., $k$-Means with outliers), the goal is to remove $z$ outliers and minimize the $k$-Means cost on the remaining points. Despite the close connection between robust $k$-Means and outlier detection, both theoretical and empirical understanding of the effectiveness of $\textit{classic outlier detection heuristics}$ for robust $k$-Means remains limited. In this paper, we prove that under a practical assumption on the optimal cluster sizes, simply removing points with large $K$-Nearest-Neighbor distances achieves performance comparable to prior work in terms of approximation guarantees: it yields a constant-factor reduction from robust $k$-Means to standard $k$-Means, without introducing additional centers or discarding extra outliers, as is commonly required by existing approaches. Empirically, experiments on real-world datasets show that our method outperforms or matches several more sophisticated algorithms in terms of clustering cost and runtime. These results demonstrate that simple KNN-based heuristics can be surprisingly effective for robust clustering, highlighting new opportunities to bridge techniques from outlier detection and clustering.

Classical clustering methods usually return either a finite partition of the observed data or a finite dendrogram over it. This finite-sample view is inadequate when the hierarchy of interest is a recursive geometric object with fine-scale refinements that continue beyond the levels directly observed. We introduce classification fields: infinite-depth hierarchical cluster structures on $\mathbb{R}^d$ generated by a local parent-to-child refinement rule. A classification field generator maps each parent centre to an ordered, bounded, and separated tuple of child residuals. Together with a root and a scale factor, this rule recursively generates cluster centres, Voronoi cells, and a metric DAG encoding the hierarchy. Given only a finite prefix of such a hierarchy, we learn a classification field predictor that approximates the generator and can be rolled out to unseen depths. We prove exponential truncation convergence in the completed cell metric and ReLU realizability with width $O(\varepsilon^{-γ})$ and depth $\widetilde O(\varepsilon^{-3γ/2})$, where $γ=\log K/(-\log s)$, up to finite-window aspect-ratio factors. The approximation holds at the level of the induced compact metric structures, measured in the completed cell-metric Hausdorff distance. Experimental validation on matched CFG-generated hierarchies, IFS fractals, and image-induced recursive clustering hierarchies shows that learned predictors preserve ordered child slots, unordered geometry, and hierarchy-level path metrics under recursive rollout. These results support the claim that finite hierarchical observations can reveal local refinement rules capable of generating substantially deeper classification fields.

K-means clustering is widely used in psychological and psychometric research to identify profiles, subgroups, and potential typologies, yet its classical formulation does not test whether such groups exist as latent psychological categories. Instead, K-means partitions multidimensional space into regions around centroids, favoring compact, approximately spherical clusters defined by geometric distance. In this paper, we examine this limitation through a sequence of controlled simulated datasets. We then extend the analysis to the SMARVUS dataset, a large international psychometric dataset comprising survey responses from university students across 35 countries, to evaluate whether similar geometric partitioning patterns emerge in empirical psychological data. By contrasting simulated and empirical data, this paper argues that K-means can produce stable and visually coherent clustering solutions even in continuous Gaussian latent spaces without true subgroup structure.

In this paper, we explore deep learning techniques for individual identification of animals based on their skin patterns. Individual identification is crucial in biodiversity monitoring, since it enables analysis of decline or growth of populations, or intra-species interactions within populations. Models trained for the task of individual identification often do not focus on the skin pattern of animals, but on background details or body shape details. These characteristics are not individually specific, or can change drastically through time. We focus on techniques that will make machine learning models more responsive to skin pattern structure when extracting individual visual embeddings from images. For this, we explore image inpainting of task-specific masks as an auxiliary task to enhance ML-based individual identification from animal skin patterns. We propose a comparative analysis among four models as an encoder backbone for the individual identification task. We focus on the case study of zebrafish, which is a widely recognized biological model organism, and which exhibits individually identifying skin patterns. To evaluate encoder backbone performance, we present standard metrics for classification accuracy, embedding clustering metrics, and GradCAM visualizations.

We present AdaGraph, a graph-native clustering algorithm born from the Structure-Centric Machine Learning (SC-ML) paradigm -- a new field of unsupervised learning that replaces geometry-centric (distance-based) computation with structure-centric (topology-based) computation, fundamentally dissolving the curse of dimensionality. AdaGraph operates entirely within the kNN graph topology, a representation that retains meaningful relational structure in arbitrarily high dimensions where Euclidean distance metrics become uninformative. AdaGraph requires no a priori specification of the number of clusters k, handles noise natively, and scales via the SLCD (Sample-Learn-Calibrate-Deploy) prototype-deployment framework. As its unsupervised tuning objective, AdaGraph pairs with Graph-SCOPE, the topology-based cluster validity index introduced as a separate SC-ML contribution. On 10 synthetic benchmarks spanning d=10 to d=5000, Graph-SCOPE achieves mean ARI=0.900 and correctly selects k on 9/10 datasets -- outperforming Silhouette, Davies-Bouldin, and Calinski-Harabasz -- while maintaining Kendall tau >= 0.92 with ground-truth cluster quality across all dimensionalities (Silhouette: tau ~= 0.46). We validate AdaGraph across three scientific domains: (1) gene co-expression discovery in hepatocellular carcinoma (GSE14520, 10,000 genes, 488 patients, no dimensionality reduction), where AdaGraph identifies condition-specific gene modules that WGCNA, ICA, NMF, and Spectral Biclustering fail to resolve; (2) natural language text clustering, where AdaGraph achieves ARI=0.751 on 20NG-6cat versus HDBSCAN's 0.464 (62% relative improvement); (3) materials science clustering of superconductors (145-dimensional Magpie features), perovskites, and JARVIS-DFT materials, where AdaGraph achieves the highest Graph-SCOPE on all three datasets.

We study clustered multitask learning in a semiparametric setting where tasks share a latent cluster structure in their target parameters but exhibit heterogeneous, potentially infinite-dimensional nuisance components. Such heterogeneity poses a major challenge for existing multitask learning methods, which typically rely on aligned feature spaces or homogeneous task structures. To address this challenge, we propose an adaptive fused orthogonal estimator that integrates Neyman-orthogonal losses with data-driven pairwise fusion penalties. Our framework leverages task-specific pilot estimates to calibrate the fusion penalties and combines adaptive aggregation with orthogonalization to mitigate the impact of nuisance-parameter estimation error. Theoretically, we show that the proposed estimator achieves exact recovery of the latent clustering with high probability and attains pooled parametric convergence rates proportional to cluster size. Moreover, we establish asymptotic normality and show that, asymptotically, our estimator matches the performance of an oracle procedure that knows the true clustering in advance. Empirically, we show that the proposed method consistently outperforms strong baselines in various simulation setups. A real-world application to U.S. residential energy consumption demonstrates the effectiveness of our approach in uncovering meaningful regional clustering in electricity price elasticity, showcasing the efficacy of our method.

We present \textit{CluProp}, a novel framework that reimagines varied-density clustering in high-dimensional spaces as a label propagation process over neighborhood graphs. Our approach formally bridges the gap between density-based clustering and graph connectivity, leveraging efficient propagation mechanisms from network science to mitigate the parameter sensitivity inherent in traditional density-based methods. Specifically, we introduce a deterministic density-based propagation strategy to ensure scalable neighborhood identification. The framework is agnostic to the choice of distance metric and exhibits superior performance on large-scale data, processing millions of points in minutes while consistently outperforming existing baselines in accuracy.

A key challenge for large language models is token cost per query and overall deployment cost. Clinical inputs are long, heterogeneous, and often redundant, while downstream tasks are short and high stakes. We study budgeted context selection, where a subset of document units is chosen under a strict token budget so an off-the-shelf generator can meet fixed cost and latency constraints. We cast this as a knapsack-constrained subset selection problem with two design choices, unitization that defines document segmentation and selection that determines which units are kept. We propose \textbf{RCD}, a monotone submodular objective that balances relevance, coverage, and diversity. We compare sentence, section, window, and cluster-based unitization, and introduce a routing heuristic that adapts to the budget regime. Experiments on MIMIC discharge notes, Cochrane abstracts, and L-Eval show that optimal strategies depend on the evaluation setting. Positional heuristics perform best at low budgets in extractive tasks, while diversity-aware methods such as MMR improve LLM generation. Selector choice matters more than unitization, with cluster-based grouping reducing performance and other schemes behaving similarly. ROUGE saturates for LLM summaries, while BERTScore better reflects quality differences. We release our code at https://github.com/stone-technologies/ACL_budget_paper.

Multivector retrieval models achieve state-of-the-art effectiveness through fine-grained token-level representations, but their deployment incurs substantial computational and memory costs. Current solutions, based on the well-known k-means clustering algorithm, group similar vectors together to enable both effective compression and efficient retrieval. However, standard k-means scales poorly with the number of clusters and dataset size, and favours frequent tokens during training while underrepresenting rare, discriminative ones. In this work, we introduce TACHIOM, a multivector retrieval system that exploits token-level structure to significantly accelerate both clustering and retrieval. By accounting for tokens' distribution during centroid allocation, TACHIOM easily scales to millions of centroids, enabling highly accurate document scoring using only centroids, avoiding expensive token-level computation. TACHIOM combines a graph-based index over centroids with an optimized Product Quantization layout for efficient final scoring. Experiments on MS-MARCOv1 and LoTTE show that TACHIOM achieves up to $247\times$ faster clustering than k-means and up to $9.8\times$ retrieval speedup over state-of-the-art systems while maintaining comparable or superior effectiveness.

Federated Learning (FL) enables collaborative model training across distributed clients without sharing raw data, yet its performance deteriorates under statistical heterogeneity. Clustered Federated Learning addresses this challenge by grouping similar clients and training separate models per cluster. However, existing clustering strategies often rely on raw data statistics, model parameters, or heuristic similarity measures that fail to capture class-level semantic structure across heterogeneous domains and frequently require iterative coordination. We propose FMCL, a one-shot, class-aware client clustering framework that leverages foundation model representations to construct semantic client signatures. Using a frozen foundation model, FMCL computes class-level embedding prototypes for each client and measures similarity via cosine distance between their class-aware representations. Clustering is performed once prior to training, introducing no additional communication during federated optimization and remaining agnostic to the downstream model architecture. Extensive experiments across heterogeneous benchmarks demonstrate that FMCL improves federated performance and yields more stable clustering behavior compared to existing clustering-based methods under non-identically distributed data partitioning.

Automatic feature engineering is an effective approach for improving predictive performance in tabular learning. However, expand-and-reduce methods, such as OpenFE, become increasingly computationally expensive as the input dimensionality grows. This limitation arises primarily from the combinatorial explosion of candidate features generated through operator-feature combinations. To address this issue, we propose SCOPE-FE, a structured search space control framework that improves efficiency by reducing the candidate space prior to feature generation. SCOPE-FE jointly regulates two major sources of combinatorial growth: the operator space and feature-pair space. First, OperatorProbing estimates the dataset-specific utility of candidate operators and eliminates low-contribution operators in advance. Second, FeatureClustering employs spectral embedding and fuzzy c-means clustering to group structurally related features, thereby restricting candidate generation to relevant within-cluster combinations. In addition, we introduce ReliabilityScoring, which incorporates variance across subsamples to stabilize pruning decisions. Experiments on ten benchmark datasets demonstrate that SCOPE-FE substantially reduces feature engineering time while maintaining competitive predictive performance relative to existing baselines. The efficiency gains are particularly pronounced for high-dimensional datasets. These results indicate that structured control of the search space is an effective strategy for scalable automatic feature engineering. The code will be made publicly available upon acceptance.

The widespread adoption of social media has heightened interest in its psychological effects, particularly on mental health indicators such as anxiety, depression, loneliness, and sleep quality, as these platforms increasingly influence social interactions and well-being. Although previous research has examined correlations between social media use and mental health, few studies have utilized unsupervised machine learning to segment users based on behavioral and psychological patterns, leaving a gap in identifying distinct risk profiles across diverse groups. This study seeks to address this by segmenting individuals according to their social media usage and psychological well-being, employing clustering to reveal hidden patterns and evaluate their mental health implications. Data from 551 participants, collected via an online survey, were preprocessed using KNN imputation for missing values, one-hot encoding for categorical variables like Gender with 5 unique values, and outlier detection via IQR and Z-score methods. K-Means clustering, optimized at 6 clusters using the Elbow Method and a Silhouette Score of 0.32, was applied, with PCA reducing 22 dimensions for visualization and a correlation heatmap highlighting relationships, such as a 0.28 correlation between social media hours and anxiety.

This paper studies the identifiability and stability of drifting fields in the framework of Generative Modeling via Drifting. The motivating question is whether a zero-drift equilibrium identifies the target distribution and whether an approximately vanishing drift implies weak distributional convergence. Since the original drifting model employs the Laplace kernel by default, we first analyze why Gaussian score-based arguments fail to apply. This analysis motivates the introduction of companion-elliptic kernel families, which are characterized by a companion potential satisfying an elliptic closure relation. We show that this class naturally contains the Laplace kernel and consists precisely of Gaussian and Matérn kernels with smoothness parameter $ν>0$. Within this class, we establish field identifiability for arbitrary Borel probability measures on $R^d$: if the drifting field between two such measures vanishes identically, then they must coincide. For stability, we demonstrate that convergence of the field alone does not guarantee weak convergence, since mass may escape to infinity while remaining invisible to the field. Although tightness directly removes this obstruction and restores weak stability, we prove that, even without tightness, every $C_0$-vague cluster point lies exactly on the defect ray $\{cp:0\le c\le1\}$. Consequently, a single scalar $C_0$ observable suffices to detect the missing mass and recover weak convergence.

Hierarchical clustering is a fundamental task in data analysis, but classical methods have long lacked a principled objective function. Dasgupta [STOC 2016] took an important step toward addressing this gap by proposing a well-motivated objective function for cluster trees. Cohen-Addad et al. [J. ACM 2019] subsequently introduced the notion of admissibility: an objective function is admissible if, whenever the input similarity matrix admits generating trees, its minimizers are precisely those generating trees. They also gave a necessary and sufficient condition for admissibility within a family of objective functions based on aggregate intercluster similarity. We refer to this family as sum-type objective functions. However, apart from Dasgupta's original objective function, no explicit admissible objective functions in this family were provided. In this paper, we study admissible objective functions for hierarchical clustering in two directions. For sum-type objective functions, we give a complete characterization when the scaling function is a symmetric polynomial of degree at most two, and we derive sufficient conditions for degree-three polynomials. We also show that the recursive sparsest cut algorithm achieves an O$(φ)$-approximation ratio for the admissible objective functions covered by our characterization, where $φ$ is the approximation factor of the sparsest cut subroutine. We then introduce max-type objective functions, where cluster interaction is measured by maximum, rather than aggregate, intercluster similarity. For this class, we characterize which objective functions are admissible for arbitrary symmetric scaling functions and give a complete characterization when the scaling function is a symmetric polynomial of degree at most two.

Generative approaches to clustering provide information on geometric properties of clusters, whereas discriminative approaches provide boundaries between clusters. Ideas from both approaches are incorporated to present a fully unsupervised, probabilistic, and discriminative clustering method via a regularized mutual information objective function, wherein a mixture of mixtures of Gaussian and uniform distributions is used for formulation of the conditional model. Automatic selection of the number of components is established with the introduction of the regularizing term and a merge step, similar to those applied in reversible jump Markov chain Monte Carlo methods used in Bayesian clustering. Consequently, the turtle shell method -- a fully unsupervised clustering method capable of estimating non-linear boundary lines, automatically selecting the number of components, and capturing intuitive clusters in the presence of data abnormalities such as noise and/or irregular cluster shapes -- is introduced. We test this method on various simulated and real datasets commonly explored in clustering research, and extend the analysis to datasets arising from flow cytometry experiments.

Understanding and representing complex climate variability is essential for both scientific analysis and predictive modeling. However, identifying meaningful climate regimes from raw variables is challenging, as they exhibit high noise and nonlinear dependencies. In this work, we explore the use of Masked Siamese Networks to discretize climate time series into semantically rich clusters. Focusing on daily minimum and maximum temperature, we show that the resulting representations: (i) yield clusters that reflect meaningful climate states under our modeling assumptions, offering a simplified representation for downstream use; (ii) enable sampling and analysis of specific climate scenarios; and (iii) exhibit statistical associations with El Niño events, underscoring their scientific relevance. Our findings highlight the potential of self-supervised discretization as a tool for climate data analysis and open avenues for incorporating richer climate indicators in future work.

For the use case of comparing the performance of clustering algorithms whose output is a contingency table, a single performance metric for contingency tables is needed. Such a metric is vital for comparative performance analysis of clustering algorithms. A survey of publicly available literature did not show the presence of such a metric. Metrics do exist for vector pairs of truth values and predicted values, which are an alternative form of output of clustering algorithms. However, the metrics for vector pairs do not reveal the presence of detailed features that are apparent in contingency tables. This paper presents the Associativity Peakiness (AP) metric, which characterizes aspects of clustering algorithm performance that are critical for predicting a clustering algorithm's performance when deployed. The AP metric is analogous to measures of quality for confusion matrices that are outputs of supervised learning algorithms. This paper presents results from simulations in which 500 contingency tables were generated for multiple test scenarios. The results show that for the use case of evaluating clustering algorithms, the AP metric characterizes performance of contingency tables with higher dynamic range than publicly available metrics, and that it is computationally more efficient than comparable publicly available metrics.

This paper studies the computational difficulty of clustering problems that are defined directly on a continuous probability density. Rather than working with finite samples, we assume the density is given as a polynomial and ask whether it contains certain cluster structures. Four natural questions are examined. First, do there exist several points with high density that are far apart from each other. Second, do two high density points have a midpoint with low density, creating a valley between them. Third, does the region where the density is above a threshold have at least a given number of separate connected pieces. Fourth, does that same region contain a hole, meaning a loop that cannot be shrunk to a point. We prove that the first two problems, separated points and valley detection, are exactly as hard as the existential theory of the reals, a complexity class that contains NP and is believed to be strictly larger. In contrast, the topological problems of counting connected pieces and detecting holes are at least as hard as the existential theory of the reals, but their exact complexity remains open. Placing them inside that class would need a major advance in real algebraic geometry. These results give the first rigorous classification of exact continuous clustering inside the real polynomial hierarchy. They also show that even basic clustering criteria are not NP complete unless unexpected collapses occur.

K-plane clustering (KPC), hyperplane clustering, and mixture regression all essentially fall within the same class of problems. This problem can be conceptualized as clustering in relatively high-dimensional K subspaces or K linear manifolds. Traditional KPC or fuzzy KPC models demonstrate a pronounced susceptibility to outliers, as they presuppose that the projection distance between data points and the plane normal vector adheres to the L2 distance. Meanwhile, the assumption of infinitely extending clusters adversely affects clustering performance. To solve these problems, this paper proposed a new robust fuzzy local k-plane clustering (RFLkPC) method that combines the mixture distance of hinge loss and L1 norm. The RFLkPC model assumes that each plane cluster is bounded to a finite area, which can flexibly and robustly handle plane clustering tasks with outliers or not. The corresponding model and optimization algorithms of RFLkPC were provided. Compared to other related models on this topic, a large number of experiments verify the efficiency of RFLkPC on simulated data and real data. The source code for the proposed RFLkPC method is publicly available at https://github.com/xuelin-xie/RFLkPC.

Dimensionality reduction is a critical preprocessing step for clustering high-dimensional data, yet comprehensive evaluation of its impact across diverse methods and data types remains limited. In this study, we systematically assess the influence of five dimensionality reduction techniques - Principal Component Analysis (PCA), Kernel Principal Component Analysis (Kernel PCA), Variational Autoencoder (VAE), Isometric Mapping (Isomap), and Multidimensional Scaling (MDS) - on the performance of four popular clustering algorithms - k-means, Agglomerative Hierarchical Clustering (AHC), Gaussian Mixture Models (GMM), and Ordering Points to Identify the Clustering Structure (OPTICS). We evaluate clustering quality using the Adjusted Rand Index (ARI), comparing results without and with dimensionality reduction at different reduction levels recommended in the literature (i.e., k-1, where k is the number of clusters, and 25% and 50% of the original number of dimensions). Our findings underscore the importance of a careful selection of the dimensionality reduction technique and the dimensionality reduction level that should be tailored to intrinsic data geometry and clustering algorithm(s) under consideration.

The k-means problem is perhaps the classical clustering problem and often synonymous with Lloyd's algorithm (1957). It has become clear that Hartigan's algorithm (1975) gives better results in almost all cases, Telgarsky-Vattani note a typical improvement of $5\%$ -- $10\%$. We point out that a very minor variation of Hartigan's method leads to another $2\%$ -- $5\%$ improvement; the improvement tends to become larger when either dimension or $k$ increase.

Automated bacterial colony counting from images is an important technique to obtain data required for the development of vaccines and antibiotics. However, bacterial colonies present unique machine vision challenges that affect counting, including (1) small physical size, (2) object clustering, (3) high data annotation cost, and (4) limited cross-species generalisation. While FamNet is an established object counting technique effective for clustered objects and costly data annotation, its effectiveness for small colony sizes and cross-species generalisation remains unknown. To address the first three challenges, we propose ACFamNet, an extension of FamNet that handles small and clustered objects using a novel region of interest pooling with alignment and optimised feature engineering. To address all four challenges above, we introduce ACFamNet Pro, which augments ACFamNet with multi-head attention and residual connections, enabling dynamic weighting of objects and improved gradient flow. Experiments show that ACFamNet Pro achieves a mean normalised absolute error (MNAE) of 9.64% under 5-fold cross-validation, outperforming ACFamNet and FamNet by 2.23% and 12.71%, respectively.

We study the community detection problem in the non-uniform hypergraph stochastic block model (HSBM), where hyperedges of varying sizes coexist. This setting captures higher-order and multi-view interactions and raises a fundamental question: can multiple uniform hypergraph layers below the detection threshold be combined to enable weak recovery? We answer this question by establishing a Kesten--Stigum-type bound for weak recovery in a general class of non-uniform HSBMs with $r$ blocks, generated according to multiple symmetric probability tensors. In the case $r=2$, we show that weak recovery is possible whenever the sum of the signal-to-noise ratios across all uniform hypergraph layers exceeds one, thereby confirming the positive part of a conjecture in (Chodrow et al., 2023). Moreover, we provide a polynomial-time spectral algorithm that achieves this threshold via an optimally weighted non-backtracking operator. For the unweighted non-backtracking matrix, our spectral method attains a different algorithmic threshold, also conjectured in (Chodrow et al., 2023). Our approach develops a spectral theory for weighted non-backtracking operators on non-uniform hypergraphs, including a precise characterization of outlier eigenvalues and eigenvector overlaps. We introduce a novel Ihara--Bass formula tailored to weighted non-uniform hypergraphs, which yields an efficient low-dimensional representation and leads to a provable spectral reconstruction algorithm. Taken together, these results provide a principled and computationally efficient approach to clustering in non-uniform hypergraphs, and highlight the role of optimal weighting in aggregating heterogeneous higher-order interactions.

While foundation models drive steady progress in image segmentation and diffusion algorithms compose always more realistic images, the seemingly simple problem of identifying recurrent patterns in a collection of images remains very much open. In this paper, we focus on sprite-based image decomposition models, which have shown some promise for clustering and image decomposition and are appealing because of their high interpretability. These models come in different flavors, need to be tailored to specific datasets, and struggle to scale to images with many objects. We dive into the details of their design, identify their core components, and perform an extensive analysis on clustering benchmarks. We leverage this analysis to propose a deep sprite-based image decomposition method that performs on par with state-of-the-art unsupervised class-aware image segmentation methods on the standard CLEVR benchmark, scales linearly with the number of objects, identifies explicitly object categories, and fully models images in an easily interpretable way.

The reasoning process of Graph Neural Networks is complex and considered opaque, limiting trust in their predictions. To alleviate this issue, prior work has proposed concept-based explanations, extracted from clusters in the model's node embeddings. However, a limitation of concept-based explanations is that they only explain the node embedding space and are obscured by pooling in graph classification. To mitigate this issue and provide a deeper level of understanding, we propose the Subgraph Concept Network. The Subgraph Concept Network is the first graph neural network architecture that distils subgraph and graph-level concepts. It achieves this by performing soft clustering on node concept embeddings to derive subgraph and graph-level concepts. Our results show that the Subgraph Concept Network allows to obtain competitive model accuracy, while discovering meaningful concepts at different levels of the network.

Lossy compression is widely used to reduce storage and I/O costs for large-scale particle datasets in scientific applications such as cosmology, molecular dynamics, and fluid dynamics, where clustering structures (e.g., single-linkage or Friends-of-Friends) are critical for downstream analysis; however, existing compressors typically provide only pointwise error bounds on particle positions and offer no guarantees on preserving clustering outcomes, and even small perturbations can alter cluster connectivity and compromise scientific validity. We propose a correction-based technique to preserve single-linkage clustering under lossy compression, operating on decompressed data from off-the-shelf compressors such as SZ3 and Draco. Our key contributions are threefold: (1) a clustering-aware correction algorithm that identifies vulnerable particle pairs via spatial partitioning and local neighborhood search; (2) an optimization-based formulation that enforces clustering consistency using projected gradient descent with a loss that encodes pairwise distance violations; and (3) a scalable GPU-accelerated and distributed implementation for large-scale datasets. Experiments on cosmology and molecular dynamics datasets show that our method effectively preserves clustering results while maintaining competitive compression performance compared with SZ3, ZFP, Draco, LCP, and space-filling-curve-based schemes.

Recommender systems have advanced markedly over the past decade by transforming each user/item into a dense embedding vector with deep learning models. At industrial scale, embedding tables constituted by such vectors of all users/items demand a vast amount of parameters and impose heavy compute and memory overhead during training and inference, hindering model deployment under resource constraints. Existing solutions towards embedding compression either suffer from severely compromised recommendation accuracy or incur considerable computational costs. To mitigate these issues, this paper presents BACO, a fast and effective framework for compressing embedding tables. Unlike traditional ID hashing, BACO is built on the idea of exploiting collaborative signals in user-item interactions for user and item groupings, such that similar users/items share the same embeddings in the codebook. Specifically, we formulate a balanced co-clustering objective that maximizes intra-cluster connectivity while enforcing cluster-volume balance, and unify canonical graph clustering techniques into the framework through rigorous theoretical analyses. To produce effective groupings while averting codebook collapse, BACO instantiates this framework with a principled weighting scheme for users and items, an efficient label propagation solver, as well as secondary user clusters. Our extensive experiments comparing BACO against full models and 18 baselines over benchmark datasets demonstrate that BACO cuts embedding parameters by over 75% with a drop of at most 1.85% in recall, while surpassing the strongest baselines by being up to 346X faster.

Video diffusion transformers (DiTs) suffer from prohibitive inference latency due to quadratic attention complexity. Existing sparse attention methods either overlook semantic similarity or fail to adapt to heterogeneous token distributions across layers, leading to model performance degradation. We propose AdaCluster, a training-free adaptive clustering framework that accelerates the generation of DiTs while preserving accuracy. AdaCluster applies an angle-similarity-preserving clustering method to query vectors for higher compression, and designs a euclidean-similarity-preserving clustering method for keys, covering cluster number assignment, threshold-wise adaptive clustering, and efficient critical cluster selection. Experiments on CogVideoX-2B, HunyuanVideo, and Wan-2.1 on one A40 GPU demonstrate up to 1.67-4.31x speedup with negligible quality degradation.

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.

Incomplete Multi-View Clustering (IMVC) faces the challenge of learning discriminative representations from fragmentary observations while maintaining robustness against missing views. However, prevalent Euclidean-based methods suffer from a geometric mismatch when modeling real-world data with intrinsic hierarchies, leading to semantic blurring where representations drift towards spatially proximal but semantically distinct neighbors. To bridge this gap, we propose HERL, a Hyperbolic Enhanced Representation Learning framework for IMVC. Operating within the Poincaré ball, HERL constructs a structure-aware latent space to enhance representation learning. Specifically, we design a dual-constraint hyperbolic contrastive mechanism optimizing: an angular-based loss to preserve semantic identity via directional alignment, and a distance-based loss to enforce hierarchical compactness. Furthermore, a hyperbolic prototype head is introduced to rectify global structural drift by aligning cross-view hierarchy-aware prototype distributions. Consequently, HERL disentangles fine-grained semantic correlations to sharpen cluster boundaries and imposes geometric constraints to rectify the data recovery process. Extensive experimental results demonstrate that HERL consistently outperforms state-of-the-art approaches.

Empirical studies of recorded performance have conventionally modelled tempo change as a unidirectional historical process, fitting linear regression lines to tempo data plotted against recording year. This paper argues that such approaches impose a false narrative of uniform stylistic evolution on what is, in fact, a plurality of coexisting interpretive traditions. Applying k-means clustering (k=3) to bar-level BPM data from over one hundred recordings of Beethoven's five piano and cello sonatas (Op. 5 Nos. 1 and 2; Op. 69; Op. 102 Nos. 1 and 2) spanning 1930-2012, this study reveals that every movement supports at least two, and usually three, discrete tempo traditions (slow, mid-range, and fast), whose internal regression slopes are negligible (R-squared <= 0.25 in all but one case), demonstrating that each tradition is independently stable across eight decades. The mid-range cluster dominates in all movements, typically comprising 55-70% of recordings. A slow cluster is absent from fast-character movements (Op. 5 Rondos, Op. 69 Scherzo), reflecting a shared rhetorical consensus about their character. The single case of significant intra-cluster drift (Op. 102 No. 1 Allegro con brio, R-squared=0.246, p=0.013) indicates a moderate mid-range deceleration of approximately 3.2 BPM across the study period. No correlation is found between cluster membership and performers' generational, national, or pedagogical backgrounds, suggesting that tempo tradition reflects individual interpretive choice rather than collective cultural inheritance. The paper proposes an ecological model of stylistic change - coexisting traditions shifting in relative prevalence rather than a single tradition evolving - and argues that this reframing has broad implications for how empirical performance studies interpret corpus-level tempo data.

We study discrete k-clustering problems in general metric spaces that are constrained by a combination of two different fairness conditions within the demographic fairness model. Given a metric space (P,d), where every point in P is equipped with a protected attribute, and a number k, the goal is to partition P into k clusters with a designated center each, such that a center-based objective function is minimized and the attributes are fairly distributed with respect to the following two fairness concepts: 1) group fairness: We aim for clusters with balanced numbers of attributes by specifying lower and upper bounds for the desired attribute proportions. 2) diverse center selection: Clusters have natural representatives, i.e., their centers. We ask for a balanced set of representatives by specifying the desired number of centers to choose from each attribute. Dickerson, Esmaeili, Morgenstern and Zhang (2023) denote the combination of these two constraints as doubly constrained fair clustering. They present algorithms whose guarantees depend on the best known approximation factors for either of these problems. Currently, this implies an 8-approximation with a small additive violation on the group fairness constraint. For k-center, we improve this approximation factor to 4 with a small additive violation. This guarantee also depends on the currently best algorithm for DS-fair k-center given by Jones, Nguyen and Nguyen (2020). For k-median and k-means, we propose the first constant-factor approximation algorithms. Our algorithms transform a solution that satisfies diverse center selection into a doubly constrained fair clustering using an LP-based approach. Furthermore, our results are generalizable to other center-selection constraints, such as matroid k-clustering and knapsack constraints.

Chromatic Correlation Clustering (CCC) extends Correlation Clustering by assigning semantic colors to edges and requiring each cluster to receive a single color label. Unlike standard CC, whose LP relaxation has integrality gap 2 on complete graphs and admits a 2.06-approximation, the analogous LP for CCC has a strict lower bound of 2.11, and the best known LP-rounding algorithm achieves 2.15. We explain this gap by isolating the source of difficulty: cross-edge chromatic interference. Neutral edges, whose color does not match the candidate cluster color, create an irreducible cost absent from standard CC and force any color-independent rounding scheme to pay an additional mismatch penalty. We make four contributions. First, we prove a Global Integrality Gap Decomposition Theorem showing that the gap of any color-independent CCC rounding algorithm equals the standard CC gap plus an irreducible chromatic penalty Delta(L) > 0. Second, we solve the associated min-max problem and derive the staircase formula Delta(L) = ((L-1)/L) Delta_infinity, where Delta_infinity is approximately 0.0734. In particular, the two-color gap is 2.0967, separating CCC from standard CC already at L = 2. Third, we introduce Color-Coupled Correlation Clustering (C4). Adding the valid global constraint sum_c x_uv^c >= L-1 and a correlated interval-packing rounding scheme makes neutral edges behave like classical negative edges, recovering the optimal 2.06 approximation and bypassing the 2.11 lower bound for the uncoupled LP. Fourth, experiments on extremal instances, real multi-relational networks, and fairness benchmarks validate the theory: empirical LP gaps follow the predicted staircase, and C4 matches the unconstrained approximation ratio under fairness constraints.

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.

Clustering is a central primitive in unsupervised learning, yet practice is dominated by heuristics whose outputs can be unstable and highly sensitive to representations, hyperparameters, and initialisation. Existing theoretical results are largely objective-specific and do not explain these behaviours at a unifying level. We formalise the common optimisation core underlying diverse clustering paradigms by defining the Universal Clustering Problem (UCP): the maximisation of a polynomial-time computable partition utility over a finite metric space. We prove the NP-hardness of UCP via two independent polynomial-time reductions from graph colouring and from exact cover by 3-sets (X3C). By mapping ten major paradigms -- including k-means, GMMs, DBSCAN, spectral clustering, and affinity propagation -- to the UCP framework, we demonstrate that each inherits this fundamental intractability. Our results provide a unified explanation for characteristic failure modes, such as local optima in alternating methods and greedy merge-order traps in hierarchical clustering. Finally, we show that clustering limitations reflect interacting computational and epistemic constraints, motivating a shift toward stability-aware objectives and interaction-driven formulations with explicit guarantees.

Algorithmic decisions about individuals require predictions that are not only accurate but also fair with respect to sensitive attributes such as gender and race. Causal notions of fairness align with legal requirements, yet many methods assume access to detailed knowledge of the underlying causal graph, which is a demanding assumption in practice. We propose a learning framework that achieves interventional fairness by leveraging a causal graph over \textit{clusters of variables}, which is substantially easier to estimate than a variable-level graph. With possible \textit{adjustment cluster sets} identified from such a cluster causal graph, our framework trains a prediction model by reducing the worst-case discrepancy between interventional distributions across these sets. To this end, we develop a computationally efficient barycenter kernel maximum mean discrepancy (MMD) that scales favorably with the number of sensitive attribute values. Extensive experiments show that our framework strikes a better balance between fairness and accuracy than existing approaches, highlighting its effectiveness under limited causal graph knowledge.

Given a weighted undirected graph, a number of clusters $k$, and an exponent $z$, the goal in the $(k, z)$-clustering problem on graphs is to select $k$ vertices as centers that minimize the sum of the distances raised to the power $z$ of each vertex to its closest center. In the dynamic setting, the graph is subject to adversarial edge updates, and the goal is to maintain explicitly an exact $(k, z)$-clustering solution in the induced shortest-path metric. While efficient dynamic $k$-center approximation algorithms on graphs exist [Cruciani et al. SODA 2024], to the best of our knowledge, no prior work provides similar results for the dynamic $(k,z)$-clustering problem. As the main result of this paper, we develop a randomized incremental $(k, z)$-clustering algorithm that maintains with high probability a constant-factor approximation in a graph undergoing edge insertions with a total update time of $\tilde O(k m^{1+o(1)}+ k^{1+\frac{1}λ} m)$, where $λ\geq 1$ is an arbitrary fixed constant. Our incremental algorithm consists of two stages. In the first stage, we maintain a constant-factor bicriteria approximate solution of size $\tilde{O}(k)$ with a total update time of $m^{1+o(1)}$ over all adversarial edge insertions. This first stage is an intricate adaptation of the bicriteria approximation algorithm by Mettu and Plaxton [Machine Learning 2004] to incremental graphs. One of our key technical results is that the radii in their algorithm can be assumed to be non-decreasing while the approximation ratio remains constant, a property that may be of independent interest. In the second stage, we maintain a constant-factor approximate $(k,z)$-clustering solution on a dynamic weighted instance induced by the bicriteria approximate solution. For this subproblem, we employ a dynamic spanner algorithm together with a static $(k,z)$-clustering algorithm.

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...

Anticlustering is an NP-hard combinatorial optimization problem that consists of partitioning a set of objects into equal-sized groups called anticlusters such that the objects in the same anticluster are as dissimilar as possible and thereby representative of the entire set of objects. Here we study the case where the dissimilarity metric is the squared Euclidean distance between the respective feature vectors. Applications of Euclidean anticlustering include social studies, cross-validation, creating mini-batches for stochastic gradient descent, and finding balanced K-cut partitions. In particular, machine-learning applications such as mini-batch generation involve million-scale datasets and very large values of K, making scalable anticlustering algorithms essential. We propose a new algorithm, the Assignment-Based Anticlustering (ABA) algorithm, that scales to instances with millions of objects and hundreds of thousands of anticlusters within seconds to minutes, which is far beyond what existing anticlustering methods can manage. We demonstrate here, via an extensive computational study, that our algorithm outperforms existing anticlustering methods in both solution quality and running time. This is so also for anticlustering with categories. For the related problem of balanced K-cut partitioning, our algorithm is superior to the well-known METIS method. The code of our algorithm is available on GitHub.

Clustering is a cornerstone of modern data analysis. Detecting clusters in exploratory data analyses (EDA) requires algorithms that make few assumptions about the data. Density-based clustering algorithms are particularly well-suited for EDA because they describe high-density regions, assuming only that a density exists. Applying density-based clustering algorithms in practice, however, requires selecting appropriate hyperparameters, which is difficult without prior knowledge of the data distribution. For example, DBSCAN requires selecting a density threshold, and HDBSCAN* relies on a minimum cluster size parameter. In this work, we propose Persistent Leaves Spatial Clustering for Applications with Noise (PLSCAN), a multiscale density-based clustering algorithm that replaces HDBSCAN*'s fixed minimum cluster size pruning of a mutual-reachability linkage hierarchy with a persistence-based cluster selection procedure. Effectively, PLSCAN identifies all minimum cluster sizes for which HDBSCAN* produces stable (leaf) clusters. In concept, PLSCAN applies scale-space clustering principles and is equivalent to persistent homology on a novel metric space. We compare its performance to HDBSCAN* on several real-world datasets, demonstrating that it achieves a higher median ARI, is less sensitive to changes in the number of mutual reachability neighbours, and has higher stability under resampling. Additionally, we compare PLSCAN's computational costs to $k$-Means++, demonstrating competitive run-times on low-dimensional datasets. At higher dimensions, run times scale more similarly to HDBSCAN*.

Existing stylized motion generation models have shown their remarkable ability to understand specific style information from the style motion, and insert it into the content motion. However, capturing intra-style diversity, where a single style should correspond to diverse motion variations, remains a significant challenge. In this paper, we propose a clustering-based framework, ClusterStyle, to address this limitation. Instead of learning an unstructured embedding from each style motion, we leverage a set of prototypes to effectively model diverse style patterns across motions belonging to the same style category. We consider two types of style diversity: global-level diversity among style motions of the same category, and local-level diversity within the temporal dynamics of motion sequences. These components jointly shape two structured style embedding spaces, i.e., global and local, optimized via alignment with non-learnable prototype anchors. Furthermore, we augment the pretrained text-to-motion generation model with the Stylistic Modulation Adapter (SMA) to integrate the style features. Extensive experiments demonstrate that our approach outperforms existing state-of-the-art models in stylized motion generation and motion style transfer.

The advent of the big data paradigm has transformed how industries manage and analyze information, ushering in an era of unprecedented data volume, velocity, and variety. Within this landscape, mixed-data clustering has become a critical challenge, requiring innovative methods that can effectively exploit heterogeneous data types, including numerical and categorical variables. Traditional clustering techniques, typically designed for homogeneous datasets, often struggle to capture the additional complexity introduced by mixed data, underscoring the need for approaches specifically tailored to this setting. Hierarchical and explainable algorithms are particularly valuable in this context, as they provide structured, interpretable clustering results that support informed decision-making. This paper introduces a clustering method grounded in pretopological spaces. In addition, benchmarking against classical numerical clustering algorithms and existing pretopological approaches yields insights into the performance and effectiveness of the proposed method within the big data paradigm.

We introduce Gradient Boosted Mixed Models (GBMixed), a framework which extends boosting to clustered data by jointly modeling the mean and variance components in a linear mixed model via likelihood-based gradients. GBMixed estimates a nonparametric fixed effects function characterizing the overall mean of the response, while also allowing the random effects covariance matrix along with the residual variance to depend on covariates in a flexible manner. We demonstrate how GBMixed facilitates covariate-dependent random effect predictions, and subsequently point predictions and prediction intervals for individual treatment effects, that can adapt between population-level and cluster-level information. Simulations and applications to two real-world datasets demonstrate that GBMixed can accurately recover complex nonlinear fixed effect functions and covariate-dependent covariances in a linear mixed model, while also improving point and probabilistic predictive performance compared with several existing approaches such as parametric linear mixed models, Natural Gradient Boosting, and Gaussian Process Boosting.

Clustering algorithms often assume all features contribute equally to the data structure, an assumption that usually fails in high-dimensional or noisy settings. Feature weighting methods can address this, but most require additional parameter tuning. We propose SHARK (Shapley Reweighted $k$-means), a feature-weighted clustering algorithm motivated by the use of Shapley values from cooperative game theory to quantify feature relevance, which requires no additional parameters beyond those in $k$-means. We prove that the $k$-means objective can be decomposed into a sum of per-feature Shapley values, providing an axiomatic foundation for unsupervised feature relevance and reducing Shapley computation from exponential to polynomial time. SHARK iteratively re-weights features by the inverse of their Shapley contribution, emphasising informative dimensions and down-weighting irrelevant ones, and is equivalent to replacing the arithmetic mean of feature dispersions with their harmonic mean. Experiments on synthetic and real-world data sets show that SHARK consistently matches or outperforms existing methods, achieving superior robustness and accuracy, particularly in scenarios where noise may be present. Software: https://github.com/rickfawley/SHARK.