Image Clustering

This paper introduces range regularization for federated learning with linear systematic components to enhance statistical accuracy and induce cross-client regularity conducive to quantization, coding, and resource efficiency. Our approach identifies features with shared weights across different clients and adaptively clusters the weights of personalized features at extreme values, a process we refer to as polar clustering. Theoretical analysis of the associated estimators poses significant challenges due to the seminorm nature and non-decomposability of the regularizer. We develop new proof techniques for the nonasymptotic analysis of statistical accuracy and faithful pattern recovery. Moreover, a fast optimization algorithm that leverages varying degrees of local strong convexity is proposed to reduce iteration complexity. Experiments support the efficacy and efficiency of the proposed approach.

We present \textbf{Flash-GMM}, a fused Triton kernel for efficient computation of Gaussian Mixture Models (GMMs) over large-scale data in a single GPU pass. By eliminating the need to materialize the full responsibility matrix in GPU memory, Flash-GMM achieves a \textbf{20$\times$} speedup over existing implementations and enables training on datasets more than \textbf{100$\times$} larger than previously feasible on one device. To demonstrate its impact, we integrate Flash-GMM into the IVF coarse quantizer for approximate nearest-neighbor (ANN) search. We show that soft GMM clustering is now a viable drop-in replacement for $k$-means, and that GMM responsibilities can be leveraged to assign border vectors to multiple clusters. Our approach reaches fixed recall targets with up to $1.7\times$ fewer distance computations, or equivalently, yields $+2$--$12$ recall@10 at matched computational cost. We release the kernel as an open-source project.

Unsupervised term discovery involves segmenting unlabelled speech into word- or syllable-like units and clustering these into a lexicon of candidate types. True lexicons follow a Zipfian distribution, yet the dominant centre-based clustering approach -- K-means -- produces a more uniform distribution due to an inductive bias toward spherical clusters. In this paper we revisit graph-based clustering as a bottom-up alternative, where segment embeddings are connected by pairwise similarity and partitioned using the Leiden algorithm. We show that graph clustering substantially outperforms centre-based approaches (K-means, GMM, BIRCH) in both word- and syllable-level lexicon discovery across three languages, producing more Zipf-like distributions. Another bottom-up approach, agglomerative clustering with average linkage, also performs well, although it is computationally less efficient and allows for less control over the resulting distribution. Our work calls into question the dominance of centre-based clustering for term discovery, and promotes graph clustering as an attractive alternative.

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

Local Hyper-Flow Diffusion (HFD) gives an edge-size-independent Cheeger-type guarantee for seeded clustering in general submodular hypergraphs, but existing HFD solvers do not keep intermediate computation local at every iteration. We introduce Thresholded Local HFD (TL-HFD), a first-order method that maintains an active region around the seeds, performs projected subgradient updates on that region and its immediate boundary, and expands via thresholded (top-k) boundary activation. We prove that the local update is exact: the degree-preconditioned projected subgradient step restricted to the active region and its boundary coincides with the unrestricted global update. We establish finite-time dual suboptimality for both exact and thresholded updates, treating the latter as inexact projected subgradient steps with explicit skipped-boundary error. We further derive an additive activated-volume bound controlled by realized local subgradient norms and the minimum boundary-push among newly activated vertices, and translate approximate dual optimality with localized support into a robust sweep-cut guarantee for early-stopped iterates. For general submodular cut-costs, each iteration is local in the scanned region and oracle-sensitive in the hyperedge primitive. Empirically, TL-HFD often matches or improves over HFD while activating less volume, with the largest gains on noisy instances where diffusion tends to absorb non-target vertices.

This methodological study analyzes the effects of collinearity, effective dimensionality, and cluster stability in a 2023 study of US airline profit cycles from 1995 to 2020 by Renold et al., which uses k-means clustering, principal component analysis, and system dynamic modelling.We replicate their clustering experiment in three spaces -- the original 7-dim. raw-variable space, a 3-dim. PC score space, and a 4-dim. PC score space using their dataset. We show that the six-cluster taxonomy is geometrically robust: k-means in 3-PC space produces bit-for-bit identical cluster assignments relative to 7D raw space. As a nonlinearity check we apply kernel PCA under six kernels spanning three families plus a linear baseline. The kernels confirm an intrinsically linear manifold with no detectable curvature. The silhouette criterion reveals that the dataset structurally supports only three clusters, not six. Collinearity in the raw 7D space suppresses the silhouette signal. A kernel ridge regression check confirms no nonlinear accuracy gain over linear ridge once the COVID19 year is excluded. Together, these results argue for clustering on PC scores rather than raw variables in collinearity-prone panel data.

Unsupervised Continual Learning (UCL) aims to enable neural networks to learn sequential tasks without labels or access to past data. A major challenge in this setting is Catastrophic Forgetting, where models forget previously learned tasks upon learning new ones. This challenge is amplified in UCL due to the absence of labels to guide learning and memory retention. Existing mitigation strategies, such as knowledge distillation and replay buffers, often raise memory and privacy concerns. Moreover, current UCL methods largely overlook clustering-specific objectives. To fill this gap, we introduce Unsupervised Continual Clustering (UCC) and propose Forward-Backward Knowledge Distillation for Continual Clustering (FBCC). FBCC employs a continual teacher network with a clustering projector and lightweight task-specific students. Through a dual-phase forward-backward distillation process, the teacher learns new clusters while preserving previously discovered cluster structure without storing past data. FBCC represents a pioneering approach to UCC, demonstrating improved clustering performance across sequential tasks. Experiments on four benchmark datasets demonstrate that FBCC consistently outperforms existing continual learning baselines in clustering accuracy while significantly reducing catastrophic forgetting.

Clustering is increasingly used to support high-impact decisions, yet standard objectives such as k-means can produce clusterings that treat demographic groups unequally. Existing fair clustering methods typically optimize a single notion of fairness and often overlook how clustering costs interact with the geometry of the induced decision boundaries. We propose UniFair, a unified framework that jointly optimizes separation fairness and social fairness. Separation fairness encourages protected groups to lie farther from the induced decision boundaries, while social fairness reduces disparities in within-cluster distortion by penalizing group-wise clustering costs. We develop gradient-based optimization procedures for separation-fair and unified k-means objectives, and extend them to deep clustering by enforcing the same criteria in the latent space of an autoencoder. Experiments on tabular and image datasets show that UniFair reduces both boundary-related and cost-based group disparities with only a modest increase in clustering loss.

Standard benchmarks report aggregate accuracy, but practitioners need to know which specific capabilities a model lacks. We introduce FailureScope, a behavioral-diagnosis method that clusters evaluation probes by their cross-model pass/fail patterns (leave-one-model-out, LOMO), and show it yields stable, interpretable failure taxonomies across three regimes usually studied separately: single-turn benchmarks, multi-turn dialogue, and adversarial agent attacks. On 2,664 single-turn tasks across 18 models, taxonomy-conditioned sampling reaches Kendall's tau = 0.81 at 50 tasks (versus 0.34 for random selection), and cross-model failure prediction reaches AUC 0.88. The same primitive recovers interpretable clusters on a 363-task multi-turn corpus and on 630 adversarial agent traces, where it exposes a meta-failure mode: a 73-100 percentage-point gap between LLM-judge ASR and real execution. Cluster cohesion remains strong across all three regimes, which we take as evidence that behavioral clustering is a portable diagnosis primitive that generalizes beyond any single benchmark. We release the pipeline, three annotated corpora, and the cross-regime taxonomies.

Selecting a clustering algorithm and its hyperparameters without labels is a common difficulty in engineering machine learning pipelines that work with unsupervised analysis of sensor, image, or process data. Clustering validation indices (CVIs) provide internal scores for ranking candidate clusterings, but most popular CVIs are built from Euclidean compactness and separation terms and so tend to favour compact, convex partitions. Their performance is known to degrade on non convex, irregular, or variable density data, where kernel transformations or alternative distance measures are typically used at the cost of additional tuning and computation. This paper introduces the Central Description Length (CDL) clustering validation index. CDL uses the observed within cluster compactness, the estimated cluster centers, and the estimated cluster covariances to compute a probabilistic upper bound on the description length associated with the unobservable true cluster centers. The bound condenses intra cluster compactness and centroid displacement into a single computable quantity and is evaluated on the partition produced by any clustering algorithm. The implementation uses only observable quantities (the data, the partition, the estimated centers, and the estimated covariances) and does not use ground truth labels. On synthetic benchmarks with non convex and arbitrary shape clusters, CDL-CVI selected the reference number of clusters more often and reached higher Adjusted Rand Index (ARI) values than the conventional CVIs we tested, without an additional kernel preprocessing stage. On image benchmarks (MNIST, CIFAR-10, STL-10) clustered from frozen unsupervised embeddings, CDL-CVI returned cluster numbers close to the reference class counts across K-means, DBSCAN, and spectral clustering in the reported trials.

The deployment of data-driven computer vision models for structural health monitoring (SHM) is heavily constrained by the data silo dilemma due to stringent privacy and security regulations. While federated learning (FL) offers a privacy-preserving collaborative alternative, its application to nationwide infrastructure networks is severely hindered by the challenge of ``double heterogeneity'': macro-level physical divergence across disparate structural types and micro-level statistical imbalances within local datasets. To overcome this challenge, this paper proposes a novel hierarchical federated learning framework. The framework orchestrates a synergistic two-tier optimization strategy. At the macro-level, a dynamic gradient-based clustering mechanism autonomously aggregates distributed clients into specialized expert groups based on their structural degradation trajectories, circumventing the need for prior geographical metadata. Concurrently, at the micro-level, an intra-cluster Dynamic Region-Adaptive Proximal Regularization (DRAPR) module computes a real-time statistical Non-IID Intensity Score for each client. By adaptively modulating a proximal penalty based on local label skewness and gradient divergence, DRAPR effectively calibrates local updates, mitigates client drift, and prevents the catastrophic forgetting of minority damage classes. Comprehensive evaluations on a large-scale, real-world structural inspection dataset demonstrate that the hierarchical integration of macro-clustering and micro-regularization successfully neutralizes dual-level heterogeneity, yielding highly robust and specialized diagnostic models for complex infrastructure inspection.

Recent text-clustering methods use large language models to propose a cluster taxonomy from a corpus and then assign each text to it. These pipelines are fundamentally programmatic: the sequence of LLM calls and the rules for stopping, merging, and splitting clusters are fixed in code in advance, so they generalise poorly across corpora of different structure and cannot easily incorporate user-supplied constraints such as a target cluster count or a clustering intent. We propose an agentic alternative in which an orchestrator LLM inspects the state of the discovery process at each step and dispatches one of a small set of specialised agents - proposer, synthesizer, auditor, investigator, and critic - adapting the pipeline to the corpus rather than executing a fixed one. On seven public text-clustering benchmarks the method achieves state-of-the-art performance, beating the strongest prior LLM baseline by up to 32% in ARI.

This article evaluates the integration of data extracted from a French syntactic lexicon, the Lexicon-Grammar (Gross, 1994), into a probabilistic parser. We show that by applying clustering methods on verbs of the French Treebank (Abeillé et al., 2003), we obtain accurate performances on French with a parser based on a Probabilistic Context-Free Grammar (Petrov et al., 2006).

Clustering is widely used across the sciences as the foundation for downstream data-driven scientific discoveries. However, clustering results are highly sensitive to the choice of algorithm, preprocessing, and the number of clusters $k$, producing scientific claims that are often not reproducible. The current state of the art for validating clustering solutions consists of clustering validation indices (CVIs) such as Silhouette, Davies-Bouldin, and Calinski-Harabasz, which rely on geometric assumptions that break down on the heavy-tailed, high-dimensional, and nonlinearly structured data encountered in biomedical research. Resampling-based alternatives - grounded in the ideas of clustering stability and generalizability - have been proposed but remain scattered across specialized tools with no unified, accessible software. We fill this gap with CARVE (Cluster Analysis with Resampling for Validation and Exploration), an open-source Python and R package that jointly evaluates multiple clustering algorithms and hyperparameters, returning stability and generalizability diagnostics at the global, cluster, and sample level together with principled selection rules and consensus-based cluster labels. Across six synthetic benchmarks CARVE consistently recovers near-optimal clusterings where classical indices degrade substantially. On experimental genomics and proteomics data sets, CARVE recovers finer biological structure when classical CVIs collapse entirely. CARVE is available with a scikit-learn-compatible Python API and an analogous R interface compatible with Seurat workflows.

Despite being ubiquitous in science, clustering lacks a unified framework for quantitatively evaluating the replicability of its results. We present evaluating replicability via iterative clustering assignments (ERICA), a method for determining whether clusters can be identified reproducibly in a dataset. The pipeline computes a statistic that determines whether reproducible cluster structure is present in a dataset. Quantitative visualization methods are also introduced to characterize similarities between clusters and identify observations that may represent outliers or unstable assignments. Experiments on synthetic datasets demonstrate that ERICA successfully identifies reproducible cluster structure. In contrast, application of ERICA to three breast cancer gene-expression datasets reveals instances in which clustering solutions are not reproducible. The study underscores the importance of rigorously evaluating clustering solutions and provides a practical framework for doing so.

This work introduces mathematical morphology-an established visual computing theory-into machine learning to exploit shape and density aspects often overlooked by standard techniques. We propose a fast clustering algorithm based on morphological reconstruction that accurately preserves cluster shapes and density. This scheme offers unique features: an intrinsic sense of maximal clusters, cost-free noise removal, and diverse growth patterns controlled by structuring elements.Additionally, we propose a novel distance metric combining Minkowski and Chebyshev distances, highly efficient for morphological dilations. In $Z^2$ discrete neighbourhood iterations, it is roughly 1.3 times faster than Manhattan and 329.5 times faster than Euclidean distances. When evaluated using a k-Nearest Neighbours (k-NN) classifier across 33 UCI datasets against 14 other distances, our metric achieved above-average accuracies most frequently (26 of 33 cases) and the best overall accuracy in 9 cases.Finally, we introduce novel morphological classifiers. Unlike current literature, this proposal uniquely models shape, density, and fractal information in datasets.

Clustering is an unsupervised technique for grouping data points by similarity. While explainability methods exist for supervised machine learning, they are not directly applicable to clustering, making it challenging to understand cluster assignments. This interpretability gap is particularly evident in the popular density-based method DBSCAN, which assigns points as inliers (cluster members in dense regions) or outliers (noise points in sparse regions). DBSCAN does not provide insight into why a particular point receives its assignment or whether its assignment is robust to small changes in the data. To address the lack of explainability, we introduce ExDBSCAN, a density-aware, post-hoc explanation method. ExDBSCAN offers actionable counterfactual explanations, with theoretical guarantees for validity. It generates multiple counterfactuals using a density connected weighted graph, adopting a physics-inspired model that repels counterfactual candidates from one another (diversity), while pulling them toward the instance to explain (proximity). Empirical evaluation on 30 tabular datasets comparing against four baselines shows that ExDBSCAN outperforms all baselines while attaining perfect validity and retrieving diverse, proximal counterfactuals.

Cluster analysis is a widely applied machine learning technique to understand the existing patterns in the population of gamma-ray bursts (GRBs), in order to explore their physical sources. In the present scenario, the number of clusters corresponding to differentiable groups is still under conflict, in spite of numerous attempts with the state-of-the-art clustering procedures. This crucial unknown parameter needs to be evaluated, either directly or indirectly in terms of other tuning parameters, to produce the clusters in GRBs through implementation of an appropriate clustering algorithm. While most of the applied algorithms reached two physically explained groups of merger and collapsar predominated by the short and long bursts respectively, other statistical approaches violated this binary partition. However, physical establishment of any additional cluster(s) is not yet confirmed. Therefore, we propose a new algorithm, from a different stream of clustering referred to as `completely parameter-free', which carries out the classification of GRBs in a manner that has not been tried so far. It indicates two main groups, of short and long duration bursts from the BATSE sample, compatible with the merger-collapsar theory.

Clustering is a fundamental problem in data science with a long-standing research history, yielding numerous insightful algorithms. Despite this progress, a systematic and large-scale empirical evaluation that jointly considers conventional algorithms, deep learning-based methods, and recent foundation model-based clustering remains largely absent, leading to limited guidance on algorithm selection and deployment. To address this gap, we introduce CLUBench, a comprehensive clustering benchmark comprising 24 algorithms of diverse principles evaluated on 131 datasets across tabular, text, and image data, involving 178,815 experiments. Importantly, our analyses of (i) the impact of hyperparameter tuning,(ii) the impact of data types and characteristics,(iii) the impact of pretrained embeddings,(iv) large language model-based clustering,(v) the similarity of algorithms, and (vi) the low-rank structures of performance matrices, yield meaningful insights and promising pathways for clustering research. For instance, our study reveals that: 1) All evaluated deep clustering methods do not exhibit a significant advantage compared with the top-performing conventional clustering algorithms (e.g., KMeans, SpeClu) in terms of average performance; 2) For image and text clustering tasks, combining pretrained embeddings with conventional clustering algorithms (e.g., KMeans, SpeClu) offers effective and efficient clustering; 3) Clustering remains a challenging and nontrivial problem, even in the era of increasingly dominant foundation models. Moreover, we propose to use the low-rank structure in cross-model performance matrices to efficiently approximate the overall performance evaluation in practical applications. We further demonstrate the feasibility of model selection based on the performance matrices across all hyperparameter configurations.

Graph clustering is essential in graph analysis for revealing structural patterns and node communities. Despite recent advances in self-supervised contrastive learning that have improved clustering via structural and attribute signals, existing methods still struggle to flexibly capture high-order local structures and often overlook global semantics in complex graphs. These limitations lead to suboptimal node representations, especially in real-world graphs with fragmented structures and ambiguous cluster boundaries. To address these limitations, a contrastive graph clustering framework is proposed to jointly integrate multi-scale local structures with global semantics via attention mechanisms. At the local level, GNN-based topological signals extracted from multiple propagation depths are adaptively fused through attention-based weighting to capture multi-scale neighborhood features. At the global level, semantic prototypes derived from dynamically evolving cluster centers are adaptively aggregated through attention to guide node representations and enhance inter-cluster separability. The model is trained under a dual-view contrastive learning paradigm with a hybrid objective that combines instance-level and structure-aware losses to improve representation robustness and discrimination. Experiments on eight real-world graph datasets demonstrate that our method achieves competitive clustering performance. Code is available at https://github.com/vege12138/w2.

Dirty entity resolution (ER), which identifies records referring to the same real-world entity from a single, messy dataset, is a fundamental task in data management and mining. However, the dominant blocking-matching-clustering paradigm for ER suffers from critical flaws. Its cascaded, decoupled workflow essentially produces a static, sparse graph plagued by missing edges (due to blocking failures) and noisy links (due to matching errors), causing error propagation and yielding suboptimal clusters, particularly when rigid transitivity is imposed in the clustering. We contend that matching and clustering are fundamentally synergistic, both optimizing for the construction of an ideal entity graph. Building upon this insight, we propose Alper, a unified framework that integrates these steps into an iterative probabilistic label propagation process over a global, evolving graph. Unlike disjoint blocking, Alper refines the graph structure and labels dynamically by adaptively integrating "weak but cheap" signals from graph propagation with "strong but expensive" LLM-based pairwise queries. For higher cost-effectiveness, we formulate the signal selection as a constrained optimization problem maximizing cumulative marginal gain under a query budget, solved via our greedy algorithm with provable theoretical guarantees. Our extensive experiments over eight benchmark datasets demonstrate that Alper is consistently superior to state-of-the-art cascaded pipelines.

Ontologies represent the conceptual knowledge of a domain. At the core of an ontology is the taxonomy of concepts and subconcepts that represent specific entities, which can be complex to build. In many cases, information is available in the form of records describing the characteristics of relevant entities, i.e., tabular data. Identifying patterns and similarities in such data can serve as a basis for identifying concepts and organizing them. However, doing so manually can be challenging, and purely automatic approaches, such as agglomerative clustering or relying on a large language model to analyze the data, can leave the user with overwhelming results and little control. In this paper, we describe a tool that enables the progressive and interactive construction of a taxonomy of concepts by identifying clusters as well as their intentional definitions. To do so, we rely on weighted self-organizing maps as a clustering method because they enable the creation of an arbitrary number of clusters that are distinct with respect to the distributions of values of specific characteristics of the clustered entities. We show that, by integrating this mechanism and others for rapidly creating concepts that group together instances from tabular data, this tool represents a middle ground between purely manual analysis and automatic methods for building ontological taxonomies.

Federated learning faces increasing threats from model poisoning attacks, which harms its application to improve privacy. Existing defense methods typically rely on fixed thresholds or perform clustering with a fixed number of clusters to distinguish malicious gradients from benign ones. However, these methods are difficult to adapt to dynamic poisoning strategies of malicious clients, and often result in the loss of benign gradients due to the heterogeneity of clients' local datasets. To address these problems, we propose a novel robust aggregation method that leverages a small number of known benign clients as references, enabling accurate identification and filtering of malicious gradients while retaining as many benign gradients as possible, even when the number of malicious clients is unknown and variable. First, we introduce a density-based low-dimensional gradient clustering method, which projects gradients onto the two most divergent dimensions and applies density-based clustering to identify malicious gradients while retaining clustered benign gradients and potentially benign outliers. Second, we design an enhancing clustering low-dimensional gradient generator model, which learns to generate pseudo-gradients aligned with the boundary of the benign cluster. These pseudo-gradients act as bridges to connect sparse benign gradient outliers. Third, we introduce low-dimensional gradient re-clustering that clusters the generated pseudo-gradients together with real gradients to recover benign gradients misclassified as noise points, enabling more benign gradients to participate in aggregation. Extensive experiments on the MNIST, CIFAR-10, and MIND datasets demonstrate that our method exhibits superior fidelity and robustness under dynamic poisoning scenarios.

Spectral clustering largely depends on the affinity graph, yet constructing a graph that preserves reliable local connectivity while adapting to heterogeneous data structures remains challenging. Existing granular-ball-based spectral clustering methods usually reduce graph complexity by using coarse-grained representatives. However, the learned local regions are often treated as graph nodes or anchors, and their structural information is not sufficiently used to regularize the original sample-level graph. To address this issue, this paper proposes a Minimum Description Length based Granular-Ball Tree-Regularized Spectral Clustering method, termed MDL-GBTRSC. The proposed method constructs a granular-ball tree through local MDL model selection, with reciprocal neighborhood continuity used to discourage splits that break reliable local connections. The stable leaf balls obtained from the tree provide coding-scale information for regularizing the sample-level affinity graph. In addition, a shared-neighbor bridge code is introduced to adjust weak local bridge relations without requiring an additional user-specified threshold. In this way, MDL-GBTRSC connects interpretable local representation learning with affinity graph construction in a unified spectral clustering framework. Experiments on real and synthetic datasets show that MDL-GBTRSC achieves the best average ARI and NMI under the adopted fixed-configuration protocol compared with classical spectral clustering baselines and representative granular-ball, micro-cluster, and anchor-based methods.

This work presents a novel variant of the Firefly Algorithm (FA) for data clustering, addressing limitations of traditional methods like K-Means that struggle with non-uniform cluster shapes, densities, and the need for pre-defining the number of clusters. The proposed algorithm introduces a centroid movement strategy and a multi-objective fitness function that balances compactness, separation, and a novel TSP-based navigation penalty. It automatically estimates the optimal number of clusters and dynamically adjusts cluster boundaries. Application to robotic sensor networks highlights its practical value, with experiments showing improved clustering quality and reduced intra-cluster path distances compared to K-Means. These results confirm the algorithm's robustness in complex spatial clustering tasks, with potential for future extensions to higher-dimensional and adaptive scenarios.

Query clustering organizes queries into groups that reflect shared latent capability demands, enabling capability-aware LLM evaluation. Existing clustering methods, which primarily rely on semantic taxonomies or embeddings, often fail to capture such latent capability requirements due to a misalignment between surface-level semantics and actual model performance. We propose ECC, an algorithm that calibrates prior semantic embeddings using limited posterior model comparisons to bridge the gap between surface-level semantics and latent capability requirements. ECC characterizes each cluster through a capability profile parameterized by a Bradley-Terry model and uses trainable mixture weights to accommodate queries with mixed capability demands, jointly learning a flexible, capability-aware clustering structure that supports query-specific inference of LLM capabilities. Extensive quantitative and qualitative evaluations demonstrate that ECC significantly improves LLM capability ranking quality, outperforming human-labeled and embedding-based baselines by an average of 17.64 and 18.02 percentage points, respectively, and proves effective in downstream tasks such as query routing.

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.

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.

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

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.

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.

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.

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.

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.