This paper introduces a comprehensive unified framework for constructing multi-view diffusion geometries through intertwined multi-view diffusion trajectories (MDTs), a class of inhomogeneous diffusion processes that iteratively combine the random walk operators of multiple data views. Each MDT defines a trajectory-dependent diffusion operator with a clear probabilistic and geometric interpretation, capturing over time the interplay between data views. Our formulation encompasses existing multi-view diffusion models, while providing new degrees of freedom for view interaction and fusion. We establish theoretical properties under mild assumptions, including ergodicity of both the point-wise operator and the process in itself. We also derive MDT-based diffusion distances, and associated embeddings via singular value decompositions. Finally, we propose various strategies for learning MDT operators within the defined operator space, guided by internal quality measures. Beyond enabling flexible model design, MDTs also offer a neutral baseline for evaluating diffusion-based approaches through comparison with randomly selected MDTs. Experiments show the practical impact of the MDT operators in a manifold learning and data clustering context.

We consider the problem of generalization of arbitrarily overparameterized two-layer ReLU Neural Networks with univariate input. Recent work showed that under square loss, flat solutions (motivated by flat / stable minima and Edge of Stability phenomenon) provably cannot overfit, but it remains unclear whether the same phenomenon holds for logistic loss. This is a puzzling open problem because existing work on logistic loss shows that gradient descent with increasing step size converges to interpolating solutions (at infinity, for the margin-separable cases). In this paper, we prove that the \emph{flatness implied generalization} is more delicate under logistic loss. On the positive side, we show that flat solutions enjoy near-optimal generalization bounds within a region between the left-most and right-most \emph{uncertain} sets determined by each candidate solution. On the negative side, we show that there exist arbitrarily flat yet overfitting solutions at infinity that are (falsely) certain everywhere, thus certifying that flatness alone is insufficient for generalization in general. We demonstrate the effects predicted by our theory in a well-controlled simulation study.

Discrete event systems are present both in observations of nature, socio economical sciences, and industrial systems. Standard analysis approaches do not usually exploit their dual event / state nature: signals are either modeled as transition event sequences, emphasizing event order alignment, or as categorical or ordinal state timeseries, usually resampled a distorting and costly operation as the observation period and number of events grow. In this work we define state transition event timeseries (STE-ts) and propose a new Selective Temporal Hamming distance (STH) leveraging both transition time and duration-in-state, avoiding costly and distorting resampling on large databases. STH generalizes both resampled Hamming and Jaccard metrics with better precision and computation time, and an ability to focus on multiple states of interest. We validate these benefits on simulated and real-world datasets.

We introduce Smart Bayes, a new classification framework that bridges generative and discriminative modeling by integrating likelihood-ratio-based generative features into a logistic-regression-style discriminative classifier. From the generative perspective, Smart Bayes relaxes the fixed unit weights of Naive Bayes by allowing data-driven coefficients on density-ratio features. From a discriminative perspective, it constructs transformed inputs as marginal log-density ratios that explicitly quantify how much more likely each feature value is under one class than another, thereby providing predictors with stronger class separation than the raw covariates. To support this framework, we develop a spline-based estimator for univariate log-density ratios that is flexible, robust, and computationally efficient. Through extensive simulations and real-data studies, Smart Bayes often outperforms both logistic regression and Naive Bayes. Our results highlight the potential of hybrid approaches that exploit generative structure to enhance discriminative performance.

Abstract--Principal Component Analysis (PCA) and K-means constitute fundamental techniques in multivariate analysis. Although they are frequently applied independently or sequentially to cluster observations, the relationship between them, especially when K-means is used to cluster variables rather than observations, has been scarcely explored. This study seeks to address this gap by proposing an innovative method that analyzes the relationship between clusters of variables obtained by applying K-means on transposed data and the principal components of PCA. Our approach involves applying PCA to the original data and K-means to the transposed data set, where the original variables are converted into observations. The contribution of each variable cluster to each principal component is then quantified using measures based on variable loadings. This process provides a tool to explore and understand the clustering of variables and how such clusters contribute to the principal dimensions of variation identified by PCA. We analyze multiple data sets with varying variability structures (USArrests, Iris, Decathlon2) to show that the correspondence between clusters of variables and principal components depends on the data's inherent structure.

Synthetic data generation is an important tool for privacy-preserving data sharing. While diffusion models have set recent benchmarks, flow matching (FM) offers a promising alternative. This paper presents different ways to implement flow matching for tabular data synthesis. We provide a comprehensive empirical study that compares flow matching (FM and variational FM) with a state-of-the-art diffusion method (TabDDPM and TabSyn) in tabular data synthesis. We evaluate both the standard Optimal Transport (OT) and the Variance Preserving (VP) probability paths, and also compare deterministic and stochastic samplers -- something possible when learning to generate using \textit{variational} flow matching -- characterising the empirical relationship between data utility and privacy risk. Our key findings reveal that flow matching, particularly TabbyFlow, outperforms diffusion baselines. Flow matching methods also achieves better performance with remarkably low function evaluations ($\leq$ 100 steps), offering a substantial computational advantage. The choice of probability path is also crucial, as using the OT path demonstrates superior performance, while VP has potential for producing synthetic data with lower disclosure risk. Lastly, our results show that making flows stochastic not only preserves marginal distributions but, in some instances, enables the generation of high utility synthetic data with reduced disclosure risk.

Hierarchical clustering is a fundamental machine-learning technique for grouping data points into dendrograms. However, existing hierarchical clustering methods encounter two primary challenges: 1) Most methods specify dendrograms without a global objective. 2) Graph-based methods often neglect the significance of graph structure, optimizing objectives on complete or static predefined graphs. In this work, we propose Hyperbolic Continuous Structural Entropy neural networks, namely HypCSE, for structure-enhanced continuous hierarchical clustering. Our key idea is to map data points in the hyperbolic space and minimize the relaxed continuous structural entropy (SE) on structure-enhanced graphs. Specifically, we encode graph vertices in hyperbolic space using hyperbolic graph neural networks and minimize approximate SE defined on graph embeddings. To make the SE objective differentiable for optimization, we reformulate it into a function using the lowest common ancestor (LCA) on trees and then relax it into continuous SE (CSE) by the analogy of hyperbolic graph embeddings and partitioning trees. To ensure a graph structure that effectively captures the hierarchy of data points for CSE calculation, we employ a graph structure learning (GSL) strategy that updates the graph structure during training. Extensive experiments on seven datasets demonstrate the superior performance of HypCSE.

Many emerging applications - such as adversarial training, AI alignment, and robust optimization - can be framed as zero-sum games between neural nets, with von Neumann-Nash equilibria (NE) capturing the desirable system behavior. While such games often involve non-convex non-concave objectives, empirical evidence shows that simple gradient methods frequently converge, suggesting a hidden geometric structure. In this paper, we provide a theoretical framework that explains this phenomenon through the lens of hidden convexity and overparameterization. We identify sufficient conditions - spanning initialization, training dynamics, and network width - that guarantee global convergence to a NE in a broad class of non-convex min-max games. To our knowledge, this is the first such result for games that involve two-layer neural networks. Technically, our approach is twofold: (a) we derive a novel path-length bound for the alternating gradient descent-ascent scheme in min-max games; and (b) we show that the reduction from a hidden convex-concave geometry to two-sided Polyak-Łojasiewicz (PŁ) min-max condition hold with high probability under overparameterization, using tools from random matrix theory.

Kolmogorov-Arnold Networks (KANs) offer a promising alternative to Multi-Layer Perceptron (MLP) by placing learnable univariate functions on network edges, enhancing interpretability. However, standard KANs lack probabilistic outputs, limiting their utility in applications requiring uncertainty quantification. While recent Gaussian Process (GP) extensions to KANs address this, they utilize exact inference methods that scale cubically with data size N, restricting their application to smaller datasets. We introduce the Sparse Variational GP-KAN (SVGP-KAN), an architecture that integrates sparse variational inference with the KAN topology. By employing $M$ inducing points and analytic moment matching, our method reduces computational complexity from $O(N^3)$ to $O(NM^2)$ or linear in sample size, enabling the application of probabilistic KANs to larger scientific datasets. Furthermore, we demonstrate that integrating a permutation-based importance analysis enables the network to function as a framework for structural identification, identifying relevant inputs and classifying functional relationships.

Adaptively collected data has become ubiquitous within modern practice. However, even seemingly benign adaptive sampling schemes can introduce severe biases, rendering traditional statistical inference tools inapplicable. This can be mitigated by a property called stability, which states that if the rate at which an algorithm takes actions converges to a deterministic limit, one can expect that certain parameters are asymptotically normal. Building on a recent line of work for the multi-armed bandit setting, we show that the linear upper confidence bound (LinUCB) algorithm for linear bandits satisfies this property. In doing so, we painstakingly characterize the behavior of the eigenvalues and eigenvectors of the random design feature covariance matrix in the setting where the action set is the unit ball, showing that it decomposes into a rank-one direction that locks onto the true parameter and an almost-isotropic bulk that grows at a predictable $\sqrt{T}$ rate. This allows us to establish a central limit theorem for the LinUCB algorithm, establishing asymptotic normality for the limiting distribution of the estimation error where the convergence occurs at a $T^{-1/4}$ rate. The resulting Wald-type confidence sets and hypothesis tests do not depend on the feature covariance matrix and are asymptotically tighter than existing nonasymptotic confidence sets. Numerical simulations corroborate our findings.