Sierpiński--Knopp Wasserstein Distance for Persistence Diagrams and Applications to 2-Wasserstein Approximation

This paper introduces the Sierpiński-Knopp (SK) Wasserstein distance, a fast metric between persistence diagrams. The SK-Wasserstein distance, denoted $d_{\mathrm{SK}}$, maps diagram points and their diagonal projections to the unit interval via the Sierpiński-Knopp space-filling curve on the upper diagonal triangle. The encoded point sets are then efficiently matched via one-dimensional optimal assignment, in \(O(N\log N)\) steps, yielding an explicit diagonal-aware point assignment between the two input persistence diagrams. We show that the SK-Wasserstein distance controls the classical \(2\)-Wasserstein distance between diagrams, admits an explicit isometric embedding into a Hilbert space, and induces a positive-definite Gaussian kernel, making the resulting geometry directly compatible with Euclidean and kernel-based learning methods. A tighter surrogate dissimilarity, noted \(W_Γ\), is also introduced based on the point assignments along the curve. Experiments on 12 scientific collections comprising 227 diagrams show median per-collection speedup of \(d_{\mathrm{SK}}\) over state-of-the-art approximations of \(W_2\) is \(626\times\), while the aggregate speedup over the full benchmark is \(2100\times\). Average-linkage partitions obtained from \(d_{\mathrm{SK}}\) and \(W_Γ\) each exactly match the corresponding \(W_2\) partition on 8 of the 12 collections. Hilbert \(k\)-means and Gaussian spectral clustering, both based on \(d_{\mathrm{SK}}\), achieve mean adjusted Rand indices (ARI) of \(0.756\) and \(0.800\), respectively, with respect to the benchmark reference partitions, compared to \(0.750\) obtained by average linkage on \(W_2\). The Gaussian \(d_{\mathrm{SK}}\) kernel supports other kernel-based analysis tasks, as illustrated by its use for contiguous segmentation of ordered diagram collections in our experiments.

Deep Skew-t Mixture Models

High-dimensional clustering is challenging when component distributions are both heavy-tailed and directionally asymmetric. We propose a deep skew-$t$ mixture model (DStMM), a hierarchical factor-analytic mixture based on the generalised-hyperbolic skew-$t$ normal mean--variance representation. A shared inverse-gamma mixing variable is propagated along each complete latent pathway, allowing heavy tails and directional asymmetry to be modelled jointly while preserving conditional Gaussianity. Each complete pathway therefore admits an exact GHST marginal representation. We formalise the reductions to symmetric deep $t$, Gaussian deep-mixture, and single-layer GHST factor-analytic models, discuss local non-identifiability and the implementation-level parameter-counting convention, and derive the conditional generalised inverse Gaussian law used for estimation. Estimation is carried out by a stochastic/Monte Carlo EM algorithm, with an explicit implementation-based parameter count for BIC architecture comparison. Simulation studies show that DStMM performs similarly to the symmetric robust model when skewness is absent but provides increasing gains as directional asymmetry becomes stronger, particularly under heavier tails; the same qualitative behaviour persists under smaller samples and unequal mixture proportions. Two real-data applications provide complementary evidence. On the UCI handwritten-digit benchmark, DStMM gives the strongest clustering performance under a common deep architecture, while on the Gas Sensor Array Drift data, DStMM improves on both deep Gaussian and deep $t$ alternatives and, under the implemented BIC criterion, selects a non-trivial second mixture layer. Together, these results support the value of propagating skewness and heavy-tail variation through a deep latent mixture while retaining an exact pathway-level likelihood.

DK-GBMKKM: Dynamic Kernel-Space Granular-Ball Multiple Kernel $k$-Means Clustering

Multiple kernel $k$-means integrates complementary nonlinear similarities by learning a combination of base kernels. Its pointwise optimization, however, is sensitive to noisy and boundary samples and repeatedly operates on sample-scale kernel matrices. Granular-ball representations organize local sample groups into mesoscopic units, but granular balls generated once in the input space may be inconsistent with the fused-kernel geometry that evolves during multiple kernel learning. We propose dynamic kernel-space granular-ball multiple kernel $k$-means (DK-GBMKKM). The method generates granular balls in the current fused kernel space and alternates kernel-weight learning with granular-ball membership updates, allowing the representation to adapt to changes in the fused-kernel geometry. A sample-size-weighted granular-ball kernel is further constructed to preserve the contributions of balls of different sizes, and its positive semidefiniteness and related equivalence properties are established. Experiments on 12 public datasets demonstrate the strong overall clustering performance of DK-GBMKKM. The code has been open-sourced for reproducibility: https://github.com/lianxiaoyu724/DK-GBMKKM.

When Can We Work in Embedding Space? What Text Embeddings Preserve

When do text embeddings work as inputs to empirical analysis? Their use rests on an assumption: that we can trade text for its low-dimensional embedding, and lose little in doing so. I make that assumption precise under a generative model in which documents are mixtures of latent topics. I study two uses---clustering units in embedding space and controlling for high-dimensional text. A cluster of embeddings is a set of documents with similar topic mixtures; controlling for the embedding is equivalent to controlling for the topic mixture, so validity reduces to whether that mixture captures the confounding. In an application to 363 U.S. metropolitan areas, embedding-based clusters of LLM-generated economic descriptions recover interpretable economic archetypes and separate local employment dynamics more sharply than clustering on model residuals, or on a curated set of industry and demographic covariates.

Different representation learning objectives recover distinct latent structures from the same psychometric data

Psychometric questionnaires contain rich item-level information, yet it remains unclear whether different representation learning objectives recover the same latent organization. We investigated this question using 757 matched teacher-child pairs from the baseline assessment of the Cyprus ProW preschool trial. Behavioral structure was characterized from child SDQ, ASBI, and CBRS item responses using principal component analysis and clustering, yielding four behavioral phenotypes. A contrastive objective substantially improved teacher-child retrieval relative to PCA-based representations, increasing Top-1 accuracy from 0.13% to 7.27% and Top-10 accuracy from 1.98% to 56.14%. However, contrastive representations preserved behavioral phenotype structure less effectively than PCA-based representations. A multi-task objective jointly optimizing alignment and behavioral prediction partially restored behavioral organization but reduced retrieval performance. These findings indicate that teacher-child correspondence and behavioral phenotypes represent distinct forms of latent organization and demonstrate that the latent structure recovered from linked psychometric data depends on the representation learning objective.

Stochastic complexity of vectors containing cluster structure

This paper studies the problem of computing the stochastic probability (shortest code length) of the encoded vectors containing cluster structure using Normalized Maximum Likelihood (NML) model. This is of great theoretical and practical importance in data clustering based on Minimum Description Length (MDL) principle, such as for estimating the best number of clusters and best cluster structure for the data. Straightforward computation of the shortest code length of the vector containing cluster structure based on the NML model requires polynomial time with respect to the size of the vector and number of clusters. We show that this is a tractable problem by introducing a recursion formula for the efficient computation of normalizing constant from the NML model. The time complexity of the new formula is linear opposed to previous polynomial time with respect to the size of the vector and number of clusters.

Structure Aware Neural Architecture Search for Mixture of Experts

Neural Architecture Search (NAS) has so far rarely been applied to Mixture-of-Experts (MoE) models, and existing MoE designs leave the alignment between experts and the structure of the data to emerge on its own. We propose an architecture search framework that makes this alignment an explicit search variable: the assignment of data clusters to experts is optimised jointly with the per-expert architectures. We cast the joint problem as a cluster-aware likelihood maximisation, show that it coincides with the incomplete-data maximum likelihood of a latent-variable mixture, and solve it by a generalised Expectation-Maximisation procedure whose otherwise intractable expert-quality term is supplied by an adaptively refined surrogate. We prove that the iterates converge whenever the surrogate errors are summable, and that at every limit point no candidate the search produces improves the true objective. On a heterogeneous image-classification mixture the method recovers the underlying domain partition on 95% of clusters without ever observing domain labels, and on that benchmark and a four-domain time-series forecasting one alike it outperforms the MoE and NAS baselines that likewise use no label information.

Clustering as Approximation by Constrained Projectors: Theory and Guarantees

This paper develops a unified theoretical framework showing that a broad family of clustering methods, including k-means, fuzzy c-means, kernel k-means, kernel FCM, and spectral clustering, can all be expressed as structured low-rank projectors acting on a signal-derived matrix. By formulating each method as an instance of min over B in C of ||M - M P_B||_F^2, with different constraint sets C, we establish a common optimization template that clarifies the algebraic links among hard, fuzzy, kernel-induced, and orthonormal projections. Within this framework, we derive non-trivial theoretical results, including geodesic convexity properties on the projection manifold, perturbation bounds quantifying stability to matrix noise, and exact recovery guarantees under ideal block-model conditions. The analysis further explains when different clustering families collapse to the same optimal subspace and how deviations arise under small inter-cluster leakage. Overall, the work provides a coherent, theory-first foundation for understanding clustering through structured projectors.

Separable Nonnegative Matrix Factorization Using Powered Ratio-of-Norms Regularization

Separable nonnegative matrix factorization (SNMF) has been widely used for low-rank representation and clustering of nonnegative data, owing to its ability to produce part-based and interpretable decompositions. In particular, SNMF is closely related to graph clustering and community detection. To enhance sparsity and identifiability of the learned factors, we propose an $\ell_1^p/\ell_2$-regularized SNMF model based on a powered ratio-of-norms regularizer. The resulting formulation is nonconvex and nonsmooth, which poses significant challenges for optimization. To address this, we develop efficient algorithms based on the difference-of-convex function algorithm (DCA) and the alternating direction method of multipliers (ADMM). The proposed methods decompose the original problem into tractable subproblems, leveraging closed-form proximal operators associated with the powered norm terms. We establish descent and limiting criticality properties for the DCA scheme and convergence under standard assumptions for the ADMM scheme. Extensive numerical experiments on synthetic datasets and hand gesture classification tasks demonstrate that the proposed approach achieves competitive or improved performance in anchor identification and classification accuracy compared with existing SNMF methods, while maintaining competitive computational efficiency.

Resolving Multi-Modal Regression by Difference-Quotient-Based Clustering:Fast Coarse Conditional-Label Assignment

Multimodal regression suffers from the mean-collapse pathology: under squared loss, an unconstrained regressor converges to the conditional mean, which for K > 1 lies away from all modes. We attribute this failure to pairwise contradictions--samples with nearly identical inputs but distant outputs--and propose Difference-Quotient Clustering (DQC), which partitions data to minimize intra-cluster output-vs-input discrepancy. Each sample is assigned to the cluster that minimizes its maximum contradiction ratio; a logits generator and a conditional network are then trained on the resulting labels. Since the generating modality is unknown at test time, we evaluate via minimum squared error (minMSE) against all K true outputs. On synthetic benchmarks (K=5, 10), DQC achieves test minMSE 0.19 (K=5, nx=500), versus 0.09 for an oracle, 1.08 for random labels, and 1.33 for mean collapse. We observe two empirical regularities: larger intra-cluster contradictions require deeper networks, and oracle labels generalize from fewer samples than cluster-derived equivalents. The clustering is a hard, parallelizable O(n^2/2) front-end for coarse conditional assignment, reducing the burden of downstream generative refinement. A second-stage re-clustering on residual errors is outlined as future work.

Joint Causal Structure and Cluster Discovery Using Variational Inference

Causal discovery aims to understand the relationships between individual random variables. In many applications, such as brain imaging and climate modeling, it is more meaningful to consider interactions among groups of variables. Existing methods assume that knowledge of such groups or clusters is explicitly available when modeling interactions. However, in practice, these clusters as well as the causal relationships among them, are latent. In this paper, we present a novel approach based on variational inference to simultaneously infer both the latent clusters and causal structures. We learn an approximate posterior over clusters and graph-structure by considering variational distributions based on categorical and Bernoulli models respectively. We derive variational lower bounds and estimation techniques to learn variational and model parameters. The effectiveness of our proposed methods for cluster and causal discovery are demonstrated on both synthetic and real data sets.

A Data-Driven Approach to State Construction in Markov Models

A Markov chain is a widely used stochastic process modelling random events over time. These models are built on subsets of the entire dataset, referred to as states, which are considered to be homogeneous regarding transition probabilities. However, the creation of these states is often disregarded or based on prior assumption, potentially violating the homogeneity requirement and thus decreasing the validity and predictive power of the model. In order to fill this gap, this paper combines supervised feature selection with unsupervised learning techniques for data-driven state construction. Density-based clustering, spectral clustering, and Kohonen self-organizing maps are examined for their ability to identify latent groups without prior assumptions. The contribution of this study is twofold. First, the paper presents a methodological framework for state construction incorporating suitable unsupervised learning techniques, with appropriate measures both for classification performance and Markov model accuracy. Secondly, the framework is tested on an application, resulting in a comparative analysis showing that spectral clustering and Kohonen self-organizing maps are best at capturing inherent structure. These results serve as a cornerstone in providing theoretical and methodological guidance for improving state definition in applied Markov modelling.

DICS: Data-Informed Centroid Splitting for Decision Tree Classifiers

Decision tree-based models are widely used in machine learning due to their interpretability and strong empirical performance. However, training decision trees can be computationally expensive, particularly for large and high-dimensional datasets, largely due to the exhaustive search over candidate splits at each node. To improve computational efficiency, we propose Data-Informed Centroid Splitting (DICS), a clustering-based framework that constructs a compact and informative set of candidate splits using data-driven priors. By incorporating class-aware structure, DICS significantly reduces the split search space for classification tasks while preserving predictive performance. We further provide theoretical analysis showing that under the stated assumptions, DICS does not degrade the performance of classification trees compared to exhaustive split search. DICS can be incorporated into classification trees, random forests, and gradient-boosting models. Extensive experiments demonstrate that DICS achieves comparable accuracy while substantially reducing training time across synthetic and benchmark datasets, highlighting the benefit of integrating data-informed priors into split selection for scalable classification tree learning.

Correlation Clustering with Random Partial Information

Correlation clustering is a fundamental unsupervised learning problem. On complete graphs, both the min-disagreement and min-max objectives admit constant-factor approximations, yet on general (non-complete) graphs, the best guarantees blow up to $O(\log n)$ and $O(\sqrt{n})$. This gap between the two regimes motivates the following question: are there classes of incomplete graphs that circumvent the lower bounds on general graphs and admit approximation guarantees approaching those attainable on complete graphs? We study a natural class of graphs obtained by randomly subsampling a complete signed graph $G$, where each edge is independently deleted with probability $q$. For such graph instances both for the min-max and the min-disagreement objectives, we prove approximation guarantees (depending on $q$) that are substantially better than the bounds achievable for general graphs. We supplement our theoretical results with experiments that also suggest that the approximation ratios of our algorithm are close to those of the complete graph and better than the worst-case bounds for general (non-complete) graphs.

QSMP: finding representative time series subsequences through Quick Shift+Matrix Profile

Finding representative waveforms in long time series has scientific and practical value in many domains, as it enables summarization and visualization of large time series datasets, and downstream tasks like classification and forecasting. We present here QSMP, a method to find representative waveforms in long time series through a density-guided clustering of time series subsequences. Our method makes a novel connection between Quick Shift, a mode-seeking algorithm, and the Matrix Profile, a time series similarity-search data structure, to adapt Quick Shift to the clustering of subsequences in long time series, with a space complexity that is superior to the state-of-the-art method. Our experiments on synthetic and real datasets show that QSMP can be a valuable tool to summarize and visualize long time series by finding representative waveforms.

Gromov-Wasserstein Quantization and Clustering: Structure, Rates, and Algorithms

Clustering is a fundamental class of data analysis techniques with the most important representatives being centroid-based methods like $k$-means. Such methods are strongly connected to quantization problems, which aim to approximate general probability measures with discrete ones. For example, $k$-means corresponds to quantization with respect to the Wasserstein distance. While Wasserstein quantization clusters points within a fixed space, this paper studies Gromov-Wasserstein (GW) quantization, which additionally aims at clustering the ambient geometry of the space. We show existence of solutions to the GW quantization problem and give a characterization that justifies an analogue to the $k$-means algorithm (Lloyd's algorithm) to approximate them numerically. We further calculate the quantization rate for usual Euclidean geometries that are used in the GW context, and relate it to standard Wasserstein quantization rates. Finally, numerical experiments show that GW quantization opens up many modeling possibilities beyond normal clustering methods (e.g., for geodesic distances of 3D shapes or structured pruning of neural networks) and that the introduced algorithm leads to useful numerical solutions with approximation quality often in line with theoretically optimal rates.

Clustered Attractor Manifolds and Dynamical Condensation in Self-Attention

Transformer layers generate state-dependent interaction networks: token representations determine the attention matrix, which in turn updates the representations. We study this feedback in a minimal normalized self-attention dynamics and identify the overlap gap as the central quantity governing its attractor structure in the thermodynamic limit. When tokens form internally aligned clusters and their similarity to members of the same cluster exceeds that to every other cluster by a nonvanishing amount, inter-cluster attention is exponentially suppressed as the dimension increases. This mechanism produces a high-dimensional manifold of clustered fixed points, ranging from a few macroscopic clusters to extensive microscopic fragmentation, and also controls their stability against perturbations. Starting from an unstructured Gaussian state, we find that clustered states nucleate from the diffuse background only above a finite threshold in attention sharpness, giving rise to a dynamical attention-condensation transition.

Density-aware Hierarchical Clustering Based on Element-Categorized Connection Subgraphs

Clustering is a fundamental data mining technique for pattern recognition through unsupervised learning. Among various clustering methods, hierarchical clustering, density-based clustering, and graph clustering stand out as representative approaches. For hierarchical clustering, it can be categorized into agglomerative and divisive modes to construct clusters in a recursive manner. The key aspect of both modes is the calculation of inter-cluster similarity, which determines whether to merge the sub-clusters into one cluster or divide a current cluster into sub-clusters. Traditionally, the similarity is derived from pairwise distances, often overlooking density variations and structural connectivity in graphs. To address this, we propose a density-aware hierarchical clustering method based on element-categorized connection subgraphs (DHC-ECS), which effectively integrates the hierarchical clustering, density-based clustering, and graph clustering. Particularly, a novel inter-cluster similarity metric is introduced that considers not only distances but also the element categorization in the KNN connection subgraphs, kernel density estimation, and local connectivity within sub-clusters. Extensive evaluations on heterogeneous benchmark datasets demonstrate that DHC-ECS exhibits superior overall performance in terms of clustering accuracy and parameter robustness compared with the baseline methods (including AChameleon, RNN-DBSCAN, McDPC, and G-RMS). The work indicates the great potential of the proposed clustering algorithm for low-dimensional datasets by leveraging local density and graph-structured connectivity (i.e., the duality of vertices and edges), as well as the possibility to determine an intrinsic threshold, reducing the reliance on manual parameter tuning.

Mixture of Geodesic Factor Analyzers on Riemannian Homogeneous Spaces

This paper introduces Mixtures of Geodesic Factor Analyzers (MGFA) on Riemannian homogeneous spaces. MGFA uses a geodesic factor model within each mixture component, providing greater expressiveness than mixtures of Riemannian radial distributions and enabling clustering of manifold-valued data with anisotropic subpopulations. We establish root-$n$ consistency for the MGFA maximum likelihood estimator (MLE), thereby filling a theoretical gap for mixtures of Riemannian radial distributions as a special case. We also propose an iterative estimation algorithm and implement it on spheres, shape spaces, and hyperbolic spaces. Numerical experiments show that MGFA substantially outperforms competing methods in well-specified regimes while remaining robust under model misspecification. Finally, case studies on corpus callosum and left hippocampus shape datasets demonstrate MGFA's effectiveness for both 2D contour and 3D shape analysis.

Beyond Feature Importance: A Comparative Analysis of Pattern Detection Methods in Cluster Interpretation

Interpreting clustering outcomes remains a fundamental challenge in data analysis, particularly in domains such as healthcare where meaningful patterns must be extracted from high-dimensional data. While numerous explainability techniques exist, they are primarily designed to assess feature importance or provide local instance-level explanations rather than to identify structured patterns present within clusters. This work presents a comparative evaluation of commonly used post-hoc analysis methods for pattern detection in clustering results. To enable controlled evaluation, we introduce a suite of synthetic datasets in which predefined patterns are systematically injected. Three widely used techniques are evaluated: a Random Forest surrogate model with permutation feature importance, LIME (Local Interpretable Model-agnostic Explanations), and principal component analysis. Results demonstrate that although each method can successfully recover relevant features, none consistently detects all injected pattern types. These findings high- light a critical gap between existing explainability tools and the requirements of pattern-level cluster interpretation, motivating the development of dedicated pattern detection methodologies.

MINT: Tensor Decomposition on Stacked Recurrence Matrices for Time Series Data Mining

Recurrence plots are a time series data mining primitive applied to a variety of domains (e.g. star light curves, sound waveforms, CCT telemetry). This work proposes tensorized self-similarity matrices as a primitive for univariate time series datasets ($N\times n$) of $N$ time series of length $n$ with a subsequence window of length $m$, and whose tensor-based nature is naturally extensible to multivariate datasets. The proposed method to compute this primitive computes dot plots of size $N \times (n-m+1) \times (n-m+ 1)$ from these datasets, where the subsequent tensor is mined using tensor decomposition methods to mine for co-clustered patterns. We demonstrate our results in mass rapid transit, electricity demand, wind turbine, and car traffic data, finding the MINT pipeline effectively co-clusters cross-sensor patterns in highly regular datasets containing motifs at regular intervals.

Differentially Private Nonparametric Modal Learning with Applications to Regression and Clustering

Density modes provide a localized and interpretable summary of multimodal distributions, but their estimation under rigorous differential privacy constraints remains largely unexplored. We study differentially private recovery of density modes for multivariate distributions under local smoothness, curvature, and separation conditions. We propose DP-GRAMS, a mean-shift inspired method that performs noisy ascent on a differentially private score estimator. Assuming the density belongs locally to a Hölder class with smoothness parameter $β> 2$, our score estimator uses bias-reducing higher-order kernels, and then enforces privacy in the gradient ascent steps via gradient clipping and calibrated Gaussian noise. A private initialization scheme combines a density-aware utility with a suppression rule and, with $k\asymp M\log n$ draws over a public $h_{\mathrm{DAP}}$-grid and suppression radius $ρ_{\mathrm{init}}\asymp (\log n)^{-1/d}$, achieves high-probability coverage of the modal basins by successively suppressing selected local neighborhoods in competitive regions, while correlated noise across multiple starts enables joint release under a single $(\varepsilon,δ)$-differential privacy guarantee. We prove that all population modes are recovered with high probability and establish asymptotic error rates of the form $O\!\left((\tfrac{\log n}{n})^{\frac{2(β-1)}{d+2β}}\right) + O\!\left((\tfrac{\mathrm{polylog}(n,δ)}{n^2\varepsilon^2})^{\frac{β-1}{d+β}}\right)$. We also provide minimax lower bounds for private mode estimation, and show that our estimators are nearly optimal, up to a logarithmic factor in the MSE. We present two natural extensions: DP-PMS, a private modal-regression method, and DP-GRAMS-C, a clustering pipeline. Extensive experiments on synthetic and real data demonstrate favorable privacy-utility trade-offs relative to common baselines.

Stable and Budget-Feasible Coalition Formation for Clustered Federated Learning: A Hedonic Potential-Game Approach

Clustered federated learning benefits from organizing heterogeneous participants into coalitions that train coalition-specific models, but such clustering is sustainable only if participants prefer their assigned coalition and the required transfers are affordable. We develop a transferable-surplus model separating learning benefit, system cost, participant cost, and monetary transfers; an allocation rule converts coalition surplus into hedonic preferences, and weak budget feasibility guarantees nonnegative retained coordinator surplus. For symmetric pairwise allocations the induced game is an exact potential game: a Nash-stable partition exists, every strict better-response process converges, and with destination consent accepted better responses reach an individually stable partition. We characterize feasibility of bounded pair incentives and verify the exponentially many budget constraints in polynomial oracle time when retained slack is submodular. Decomposing welfare into participant potential and retained slack yields additive and multiplicative price-of-stability guarantees, the latter asymptotically tight; exact balance gives welfare-optimal stability only on the pairwise-representable class, and budget feasibility alone permits unbounded welfare loss. Global potential maximization equals weighted maximum-agreement correlation clustering, and approximation followed by stabilization satisfies an end-to-end welfare bound governed by retained slack and negative-edge mass, attained by an explicit construction. In a preregistered five-seed CIFAR-10 study the mechanism reaches the certified estimated-table welfare optimum on every primary instance, equal-surplus sharing has no Nash-stable outcome on three, and pairwise validation gain gives far more reliable pair signs than gradient alignment.

Randomizing the Number of Centers in k-means++

The $k$-means++ algorithm is a standard and widely used seeding method for $k$-means clustering, but for a fixed number $k$ of centers its worst-case expected approximation ratio is $Θ(\log k)$. We consider the same algorithm when an adversary first fixes the dataset and some $K$; the number of centers $k$ is then chosen uniformly from $\{K,\ldots,2K-1\}$. We prove that $k$-means++ is an $O(1)$-approximation with constant probability in this budget-smoothed setup.

Semantic Space Search Trajectory Networks

Search Trajectory Networks (STNs) are a graph-based tool for visualizing and characterizing the behavior of optimization algorithms. STNs' reliance on discretization of the search space has largely confined them to low-dimensional or combinatorial settings. We introduce a methodology for constructing STNs in semantic spaces, defined as the space of a model's predictions on a fixed sample set. Our approach discretizes semantic vectors and aggregates them into network nodes via agglomerative clustering with complete linkage under a normalized Hamming distance. Since any predictor can be summarized by its semantic vector, this method enables comparison of learning dynamics across otherwise incomparable algorithm families. We apply semantic space STNs to classification and regression tasks solved using different machine learning algorithms, recovering known qualitative differences between them. Additionally, we use semantic space STNs to study neural network generalization by contrasting standard training with the label randomization regime of Zhang et al. (2017). The resulting STNs exhibit consistent structural differences, training on real labels produces denser, more efficient and more centralized graphs than training on shuffled labels. Together, our results show that semantic space STNs capture functional training dynamics arising from the interaction between learning algorithms and data, providing a tool for analyzing and comparing learning dynamics across machine learning models and training regimes.

Transfer Learning in High-Dimensional Clustering: Minimax Thresholds and Applications in Single-Cell Data

Clustering is a fundamental problem in statistics, with applications across many scientific disciplines. In many modern applications involving clustering, the primary dataset (the target data) is accompanied by related datasets (the source data). Transferring information from such sources may improve clustering accuracy in the target, making transfer learning for clustering practically important. Despite recent progress, the conditions under which source data improve target clustering remain unclear in high-dimensional settings, even for the canonical Gaussian mixture model. In this paper, we study the clustering problem in a two-community Gaussian mixture model where relatedness is captured by the geometric alignment of the target and source cluster means. We develop a minimax-optimal transfer-assisted clustering procedure and characterize, up to logarithmic factors, the phase transition for consistent target clustering in terms of the signal-to-noise ratios, sample sizes, ambient dimension, and degree of alignment between the datasets. The technique is also extended to adaptively choose between the target-only or the source assisted clustering depending on the target signal strength. Furthermore, we also extend our techniques to accommodate multiple communities and and multiple source datasets. Extensive simulations and an analysis of a human lung single-cell RNA-sequencing atlas demonstrate the practical effectiveness of our methods.

PYPM-GGD: Pitman-Yor Process Mixture with Generalized Gaussian Density using ADAM

Large scale Bayesian nonparametrics (BNP) learner such as Stochastic Variational Inference (SVI) can handle datasets with large class number and large training size at fractional cost. Like its predecessor, SVI rely on the assumption of conjugate variational posterior to approximate the true posterior. A more challenging problem is to consider large scale learning on non-conjugate posterior. Recent works in this direction are mostly associated with using Monte Carlo methods for approximating the learner. However, these works are usually demonstrated on non-BNP related task and less complex models such as logistic regression, due to higher computational complexity. In order to overcome the issue faced by SVI, we develop a novel approach based on the recently proposed constant stepsize stochastic gradient ascent to allow large scale learning on non-conjugate posterior. Unlike SVI, our new learner does not require closed- form expression for the variational posterior expectatations. Our only requirement is that the variational posterior is differentiable. In order to ensure convergence in stochastic settings, SVI rely on decaying step-sizes to slow its learning. Inspired by SVI and Adam, we propose the novel use of adaptive stepsizes in our method to significantly improve its learning. We show that our proposed methods is compatible with ResNet features when applied to large class number datasets such as MIT67 and SUN397. Finally, we compare our proposed learner with several recent works such as deep clustering algorithms and showed we were able to produce on-par or outperform the state-of-the-art methods in terms of clustering measures.

The K-SCAN Clustering Algorithm

In the Big Data era, the scalability of clustering algorithms constitutes a key challenge. Traditional density-based methods (e.g., DBSCAN) offer robustness to noise and the ability to detect non-linear clusters, yet their quadratic time complexity $O(N^2)$ drastically limits their applicability. Conversely, partitional algorithms (e.g., K-Means), with their linear complexity $O(N)$, impose sphericity on the resulting groups and fail in the presence of outliers. This paper presents K-SCAN -- a novel hybrid algorithm that optimizes this trade-off. The method integrates preliminary vector quantization (stochastic Mini-Batch K-Means) to extract a reduced set of weighted micro-clusters, followed by a subsequent density-based structural analysis. Empirical evaluation on datasets of up to $10^6$ samples confirms the linear computational complexity of the proposed solution. K-SCAN achieves more than a 3-fold speed-up over the hierarchical BIRCH algorithm, avoiding the costly management of tree-based structures. The method precisely identifies non-linear manifolds while maintaining structural stability (Adjusted Rand Index > 0.99), even with noise levels reaching 55\% of the data volume. The main limitation of the proposed algorithm, which could not be fully eliminated in the present study, remains its susceptibility to over-smoothing and its difficulty in separating clusters with highly heterogeneous local density. In complex visual spaces, this can lead to the loss of the finest topological details.

Why does Greedy Search produce Optimal Clustering Outcomes? A Fixed-Core Assignment Theory

Many existing clustering methods are designed based on a set-oriented definition---a cluster is a set of similar points---relying a point-to-point similarity function to find similar points. This works well for compact clusters, but clustering performance can deteriorate badly when cluster shapes are irregular, and densities or sizes vary between clusters. Recent `Cluster-as-Distribution' (CaD) clustering has been shown to discover these generic types of clusters in practice by treating each cluster as a set of independent and identically distributed points generated from some unknown distribution via a greedy search, achieving a clustering objective equivalent to that of Spectral Clustering, but with better clustering outcomes without eigen-decomposition. However, a theoretical analysis of this phenomenon is still lacking. Our analyses are from two angles. First, we analyze the approximation error between the true and empirical distribution embeddings. Second, we show that the greedy search employed to achieve the CaD clustering objective can be mapped to a partition matroid---yielding greedy optimality. These yield a near-optimality guarantee for the CaD clustering objective, with regret controlled by the approximation error. This is the first analysis that explains why CaD clustering via greedy search can discover clusters of arbitrary shapes, densities and sizes (where all set-oriented clustering methods have failed to discover) when the estimated cluster embeddings faithfully approximate the underlying cluster distributions.

Distributional Determinantal Point Process for Repulsive Clustering of Distributions

We introduce the distributional determinantal point process (dDPP) as a novel repulsive point process whose atoms are probability distributions rather than points in a real space. The dDPP is constructed via an L-ensemble with a sliced Wasserstein (SW) kernel between distributions. We show its validity as a well-defined point process. In the discrete setting, we derive concentration results for plug-in estimators of the L-ensemble, the correlation kernel, and their determinants given i.i.d. samples from the distributional atoms. Leveraging this framework, we propose a distribution-valued random partition model by way of a repulsive generalized Bayesian mixture model. The model places a dDPP prior over the atoms of the mixing measure and defines a generalized likelihood based on SW distance. To summarize posterior inference, we develop a decision-theoretic approach to report a point estimate of the mixing measure as a Bayes rule under a hierarchical optimal transport utility function. The latter is a natural choice given that the mixing measure is itself a distribution over distributions. We use the proposed framework for inference with single-cell gene expression data and human epilepsy data, producing interpretable and well-separated clusters that reflect meaningful structure in the data.