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Alexander Cloninger

Publications and source records attributed to Alexander Cloninger.

At least 19 recordsLinked to original sources

Scalable Graph Coreset Selection via Greedy Sampling

Sampling representative nodes from large graphs is fundamental to graph signal processing and network analysis, yet existing methods require access to the full graph Laplacian, making them impractical at scale. We propose a simple and effective column-selective graph sampling algorithm based on a minimum inner product greedy selection rule. At each iteration, the algorithm accesses only a small random subset of Laplacian columns, requiring no eigendecomposition or global graph traversal, making it well-suited for large-scale graphs where the full Laplacian cannot be stored in memory. We analyze the algorithm under the stochastic block model and show that, when the degree distribution is balanced across nodes, the algorithm achieves sampling proportional to cluster size, and that the resulting mean estimate is controlled for band-limited graph signals in the Paley-Wiener space, with the error decaying as inter-cluster connectivity weakens. Numerical experiments on both synthetic and real-world data validate the effectiveness of the proposed method.

math.NA

Does Sparse Connectivity Improve Generalization? Convolutional Networks Below the Edge of Stability

Gradient descent on overparameterized neural networks typically operates at the Edge of Stability (EoS), where the largest Hessian eigenvalue hovers around a step-size-dependent threshold. We study how sparse connectivity changes generalization below this threshold in two-layer ReLU networks. Prior results have shown that for fully-connected networks (FCNs), generalization guarantees in this regime degrade and become vacuous on high-dimensional spherical inputs. Our analysis reveals that sparse connectivity fundamentally alters this picture. Under sparse connectivity, the network processes a collection of low-dimensional patches rather than the full input vector, so the effective constraint imposed by the stability condition is governed by the geometry of the training patch collection. We prove that when the receptive fields are small relative to the ambient dimension, the effective constraint yields non-vacuous generalization bounds in precisely the spherical regime where FCNs provably fail. The same framework also reveals a contrasting failure mode: if the patch collection lacks geometric structure, the constraint becomes unable to prevent overfitting. We corroborate this theory by analyzing the patch geometry of natural images, showing that standard convolutional designs produce patch multiset with low-dimensional structure that facilitates generalization. This provides a principled explanation for the generalization advantage of convolutional networks. Thus, our analysis yields a unified framework that identifies how architecture, data geometry, and gradient descent jointly govern generalization performance.

stat.ML

Optimal Transport, Timesteppers, Newton-Krylov Methods and Steady States of Collective Particle Dynamics

Timesteppers constitute a powerful tool in modern computational science and engineering. Although they are typically used to advance the system forward in time, they can also be viewed as nonlinear mappings that implicitly encode steady states and stability information. In this work, we present an extension of the matrix-free framework for calculating, via timesteppers, steady states of deterministic systems to stochastic particle simulations, where intrinsic randomness prevents direct steady state extraction. By formulating stochastic timesteppers in the language of optimal transport, we reinterpret them as operators acting on probability measures rather than on individual particle trajectories. This perspective enables the construction of smooth cumulative- and inverse-cumulative-distribution-function ((I)CDF) timesteppers that evolve distributions rather than particles. Combined with matrix-free Newton-Krylov solvers, these smooth timesteppers allow efficient computation of steady-state distributions even under high stochastic noise. We perform an error analysis quantifying how noise affects finite-difference Jacobian action approximations, and demonstrate that convergence can be obtained even in high noise regimes. Finally, we introduce higher-dimensional generalizations based on smooth CDF-related representations of particles and validate their performance on a non-trivial two-dimensional distribution. Together, these developments establish a unified variational framework for computing meaningful steady states of both deterministic and stochastic timesteppers.

math.NA

Linearized Optimal Transport for Analysis of High-Dimensional Point-Cloud and Single-Cell Data

Single-cell technologies generate high-dimensional point clouds of cells, enabling detailed characterization of complex patient states and treatment responses. Yet each patient is represented by an irregular point cloud rather than a simple vector, making it difficult to directly quantify and compare biological differences between individuals. Nonlinear methods such as kernels and neural networks achieve predictive accuracy but act as black boxes, offering little biological interpretability. To address these limitations, we adapt the Linear Optimal Transport (LOT) framework to this setting, embedding irregular point clouds into a fixed-dimensional Euclidean space while preserving distributional structure. This embedding provides a principled linear representation that preserves optimal transport geometry while enabling downstream analysis. It also forms a registration between any two patients, enabling direct comparison of their cellular distributions. Within this space, LOT enables: (i) \textbf{accurate and interpretable classification} of COVID-19 patient states, where classifier weights map back to specific markers and spatial regions driving predictions; and (ii) \textbf{synthetic data generation} for patient-derived organoids, exploiting the linearity of the LOT embedding. LOT barycenters yield averaged cellular profiles representing combined conditions or samples, supporting drug interaction testing. Together, these results establish LOT as a unified framework that bridges predictive performance, interpretability, and generative modeling. By transforming heterogeneous point clouds into structured embeddings directly traceable to the original data, LOT opens new opportunities for understanding immune variation and treatment effects in high-dimensional biological systems.

cs.LG

Generalization Below the Edge of Stability: The Role of Data Geometry

Understanding generalization in overparameterized neural networks hinges on the interplay between the data geometry, neural architecture, and training dynamics. In this paper, we theoretically explore how data geometry controls this implicit bias. This paper presents theoretical results for overparametrized two-layer ReLU networks trained below the edge of stability. First, for data distributions supported on a mixture of low-dimensional balls, we derive generalization bounds that provably adapt to the intrinsic dimension. Second, for a family of isotropic distributions that vary in how strongly probability mass concentrates toward the unit sphere, we derive a spectrum of bounds showing that rates deteriorate as the mass concentrates toward the sphere. These results instantiate a unifying principle: When the data is harder to "shatter" with respect to the activation thresholds of the ReLU neurons, gradient descent tends to learn representations that capture shared patterns and thus finds solutions that generalize well. On the other hand, for data that is easily shattered (e.g., data supported on the sphere) gradient descent favors memorization. Our theoretical results consolidate disparate empirical findings that have appeared in the literature.

stat.ML

Robust Tangent Space Estimation via Laplacian Eigenvector Gradient Orthogonalization

Estimating the tangent spaces of a data manifold is a fundamental problem in geometric data analysis. The standard approach, Local Principal Component Analysis (LPCA), struggles in high-noise setting due to a critical trade-off in choosing the neighborhood size. Selecting an optimal size requires prior knowledge of the geometric and noise characteristics of the data that are often unavailable. In this paper, we propose a spectral method, Laplacian Eigenvector Gradient Orthogonalization (LEGO), that utilizes the global structure of the data to guide local tangent space estimation. Instead of relying solely on local neighborhoods, LEGO estimates the tangent space at each data point by orthogonalizing the gradients of low-frequency eigenvectors of the graph Laplacian. We provide two theoretical justifications of our method. First, a differential geometric analysis on the tubular neighborhood of a manifold shows that gradients of the low-frequency Neumann eigenfunctions of the tube align closely with the manifold's tangent bundle, while an eigenfunction with high gradient in directions orthogonal to the manifold lie deeper in the spectrum. Second, a random matrix theoretic analysis also demonstrates that low-frequency eigenvectors are robust to sub-Gaussian noise. These results allow us to derive the asymptotic scaling and stability of the estimated eigenvector gradients. Numerical experiments demonstrate that LEGO yields tangent space estimates that are significantly more robust to noise than those from LPCA, resulting in marked improvements in downstream tasks such as manifold learning, boundary detection, and local intrinsic dimension estimation.

cs.LG

Transformers for Learning on Noisy and Task-Level Manifolds: Approximation and Generalization Insights

Transformers serve as the foundational architecture for large language and video generation models, such as GPT, BERT, SORA and their successors. Empirical studies have demonstrated that real-world data and learning tasks exhibit low-dimensional structures, along with some noise or measurement error. The performance of transformers tends to depend on the intrinsic dimension of the data/tasks, though theoretical understandings remain largely unexplored for transformers. This work establishes a theoretical foundation by analyzing the performance of transformers for regression tasks involving noisy input data near a manifold. Specifically, the input data are in a tubular neighborhood of a manifold, while the ground truth function depends on the projection of the noisy data onto this manifold, referred to as the task-level manifold. We prove approximation and generalization errors which crucially depend on the intrinsic dimension of the task-level manifold. Our results demonstrate that transformers can leverage low-complexity structures in learning task even when the input data are perturbed by high-dimensional noise. Our novel proof technique constructs representations of basic arithmetic operations by transformers, which may hold independent interest.

cs.LG

Using Causal Inference to Explore Government Policy Impact on Computer Usage

We explore the causal relationship between COVID-19 lockdown policies and changes in personal computer usage. In particular, we examine how lockdown policies affected average daily computer usage, as well as how it affected usage patterns of different groups of users. This is done through a merging of the Oxford Policy public data set, which describes the timeline of implementation of COVID policies across the world, and a collection of Intel's Data Collection and Analytics (DCA) telemetry data, which includes millions of computer usage records and updates daily. Through difference-in-difference, synthetic control, and change-point detection algorithms, we identify causal links between the increase in intensity (watts) and time (hours) of computer usage and the implementation of work from home policy. We also show an interesting trend in the individual's computer usage affected by the policy. We also conclude that computer usage behaviors are much less predictable during reduction in COVID lockdown policies than during increases in COVID lockdown policies.

stat.AP

Robust Graph-Based Semi-Supervised Learning via $p$-Conductances

We study the problem of semi-supervised learning on graphs in the regime where data labels are scarce or possibly corrupted. We propose an approach called $p$-conductance learning that generalizes the $p$-Laplace and Poisson learning methods by introducing an objective reminiscent of $p$-Laplacian regularization and an affine relaxation of the label constraints. This leads to a family of probability measure mincut programs that balance sparse edge removal with accurate distribution separation. Our theoretical analysis connects these programs to well-known variational and probabilistic problems on graphs (including randomized cuts, effective resistance, and Wasserstein distance) and provides motivation for robustness when labels are diffused via the heat kernel. Computationally, we develop a semismooth Newton-conjugate gradient algorithm and extend it to incorporate class-size estimates when converting the continuous solutions into label assignments. Empirical results on computer vision and citation datasets demonstrate that our approach achieves state-of-the-art accuracy in low label-rate, corrupted-label, and partial-label regimes.

cs.LG

Linearized Optimal Transport pyLOT Library: A Toolkit for Machine Learning on Point Clouds

The pyLOT library offers a Python implementation of linearized optimal transport (LOT) techniques and methods to use in downstream tasks. The pipeline embeds probability distributions into a Hilbert space via the Optimal Transport maps from a fixed reference distribution, and this linearization allows downstream tasks to be completed using off the shelf (linear) machine learning algorithms. We provide a case study of performing ML on 3D scans of lemur teeth, where the original questions of classification, clustering, dimension reduction, and data generation reduce to simple linear operations performed on the LOT embedded representations.

stat.ML

Robust boundary detection and density estimation using doubly stochastic scaling of the Gaussian kernel

This paper addresses the problem of detecting boundary points and estimating the sampling density of a dataset derived from a compact manifold with boundary, potentially in the presence of noise. We extend recent advances in doubly stochastic scaling of the Gaussian heat kernel via Sinkhorn iterations to this setting. Our main contributions are: (a) deriving a characterization of the scaling factors for manifolds with boundary, (b) developing a boundary direction estimator aimed at identifying boundary points followed by a boundary-corrected kernel density estimator based on doubly stochastic kernel and local principal component analysis, and (c) demonstrating through simulations that the resulting estimates of the boundary points and the sampling density outperform the standard Gaussian kernel-based approach, particularly under noisy conditions.

math.ST

Using Linearized Optimal Transport to Predict the Evolution of Stochastic Particle Systems

We develop an Euler-type method to predict the evolution of a time-dependent probability measure without explicitly learning an operator that governs its evolution. We use linearized optimal transport theory to prove that the measure-valued analog of Euler's method is first-order accurate when the measure evolves ``smoothly.'' In applications of interest, however, the measure is an empirical distribution of a system of stochastic particles whose behavior is only accessible through an agent-based micro-scale simulation. In such cases, this empirical measure does not evolve smoothly because the individual particles move chaotically on short time scales. However, we can still perform our Euler-type method, and when the particles' collective distribution approximates a measure that \emph{does} evolve smoothly, we observe that the algorithm still accurately predicts this collective behavior over relatively large Euler steps, thus reducing the number of micro-scale steps required to step forward in time. In this way, our algorithm provides a ``macro-scale timestepper'' that requires less micro-scale data to still maintain accuracy, which we demonstrate with three illustrative examples: a biological agent-based model, a model of a PDE, and a model of Langevin dynamics.

math.NA

Training Guarantees of Neural Network Classification Two-Sample Tests by Kernel Analysis

We construct and analyze a neural network two-sample test to determine whether two datasets came from the same distribution (null hypothesis) or not (alternative hypothesis). We perform time-analysis on a neural tangent kernel (NTK) two-sample test. In particular, we derive the theoretical minimum training time needed to ensure the NTK two-sample test detects a deviation-level between the datasets. Similarly, we derive the theoretical maximum training time before the NTK two-sample test detects a deviation-level. By approximating the neural network dynamics with the NTK dynamics, we extend this time-analysis to the realistic neural network two-sample test generated from time-varying training dynamics and finite training samples. A similar extension is done for the neural network two-sample test generated from time-varying training dynamics but trained on the population. To give statistical guarantees, we show that the statistical power associated with the neural network two-sample test goes to 1 as the neural network training samples and test evaluation samples go to infinity. Additionally, we prove that the training times needed to detect the same deviation-level in the null and alternative hypothesis scenarios are well-separated. Finally, we run some experiments showcasing a two-layer neural network two-sample test on a hard two-sample test problem and plot a heatmap of the statistical power of the two-sample test in relation to training time and network complexity.

stat.ML

LINSCAN -- A Linearity Based Clustering Algorithm

DBSCAN and OPTICS are powerful algorithms for identifying clusters of points in domains where few assumptions can be made about the structure of the data. In this paper, we leverage these strengths and introduce a new algorithm, LINSCAN, designed to seek lineated clusters that are difficult to find and isolate with existing methods. In particular, by embedding points as normal distributions approximating their local neighborhoods and leveraging a distance function derived from the Kullback Leibler Divergence, LINSCAN can detect and distinguish lineated clusters that are spatially close but have orthogonal covariances. We demonstrate how LINSCAN can be applied to seismic data to identify active faults, including intersecting faults, and determine their orientation. Finally, we discuss the properties a generalization of DBSCAN and OPTICS must have in order to retain the stability benefits of these algorithms.

cs.LG

Resistance Distance and Linearized Optimal Transport on Graphs

We study the linearization of a discrete transportation distance between probability distributions on finite weighted graphs originally due to Maas (``Gradient flows of the entropy for finite {M}arkov chains,'' J. Funct. Anal. 261(8), 2011) which demonstrates various connections to the underlying combinatorial structure of the graph. For a connected graph and a reference density $\mu$ on its vertices, our main result is a nonasymptotic local linearization theorem showing that if $\nu$ is a small additive perturbation of $\mu$ then their squared discrete transportation distance is controlled above and below by the quadratic form of the pseudoinverse of a re-weighted graph Laplacian matrix. When the reference measure is stationary for the simple random walk on the graph, the weights agree with the original graph and this yields the quadratic form $(\mu-\nu)^\top L_w^\dagger (\mu-\nu)$, which can be viewed as a form of resistance distance between probability measures. This distance has a number of combinatorial and variational characterizations, including Beckmann and Benamou--Brenier formulas, a dual homogeneous Sobolev norm formula, a spanning $2$-forest formula, and a representation through random walk hitting times. Finally, we show that on the resulting ``resistance manifold,'' the gradient flow of the $\chi^2$ functional is the continuous-time random walk and that its geodesic strong convexity modulus equals the spectral gap of the normalized Laplacian. From this geometric vantage point, one recovers the classical fact that the spectral gap of the normalized Laplacian controls the exponential convergence rate of the random walk to stationarity.

math.OC

OTClean: Data Cleaning for Conditional Independence Violations using Optimal Transport

Ensuring Conditional Independence (CI) constraints is pivotal for the development of fair and trustworthy machine learning models. In this paper, we introduce \sys, a framework that harnesses optimal transport theory for data repair under CI constraints. Optimal transport theory provides a rigorous framework for measuring the discrepancy between probability distributions, thereby ensuring control over data utility. We formulate the data repair problem concerning CIs as a Quadratically Constrained Linear Program (QCLP) and propose an alternating method for its solution. However, this approach faces scalability issues due to the computational cost associated with computing optimal transport distances, such as the Wasserstein distance. To overcome these scalability challenges, we reframe our problem as a regularized optimization problem, enabling us to develop an iterative algorithm inspired by Sinkhorn's matrix scaling algorithm, which efficiently addresses high-dimensional and large-scale data. Through extensive experiments, we demonstrate the efficacy and efficiency of our proposed methods, showcasing their practical utility in real-world data cleaning and preprocessing tasks. Furthermore, we provide comparisons with traditional approaches, highlighting the superiority of our techniques in terms of preserving data utility while ensuring adherence to the desired CI constraints.

cs.LG

Point Cloud Classification via Deep Set Linearized Optimal Transport

We introduce Deep Set Linearized Optimal Transport, an algorithm designed for the efficient simultaneous embedding of point clouds into an $L^2-$space. This embedding preserves specific low-dimensional structures within the Wasserstein space while constructing a classifier to distinguish between various classes of point clouds. Our approach is motivated by the observation that $L^2-$distances between optimal transport maps for distinct point clouds, originating from a shared fixed reference distribution, provide an approximation of the Wasserstein-2 distance between these point clouds, under certain assumptions. To learn approximations of these transport maps, we employ input convex neural networks (ICNNs) and establish that, under specific conditions, Euclidean distances between samples from these ICNNs closely mirror Wasserstein-2 distances between the true distributions. Additionally, we train a discriminator network that attaches weights these samples and creates a permutation invariant classifier to differentiate between different classes of point clouds. We showcase the advantages of our algorithm over the standard deep set approach through experiments on a flow cytometry dataset with a limited number of labeled point clouds.

cs.LG

On a Generalization of Wasserstein Distance and the Beckmann Problem to Connection Graphs

We propose a model of optimal parallel transport between vector fields on a connection graph, which consists of a weighted graph along with a map from its edges to an orthogonal group. Inspired by the well-known equivalence of 1-Wasserstein distance and minimum cost flows on standard graphs, we consider two versions of this problem: a minimum norm vector-valued flow problem with divergence constraints reflective of the connection structure of the graph; and a modified version which incorporates both quadratic regularization and a relaxation of the divergence constraint. Our theoretical contributions include: conditions for feasibility and computation of the Lagrangian dual problem for both problems, and duality correspondence for the relaxed-regularized version. Example applications of the model including transport between color images, vector field interpolation, and unsupervised clustering of vector field-valued data (in this case hurricane trajectory data) are also considered.

math.OC