arXiv subjects

James M. Murphy

Publications and source records attributed to James M. Murphy.

At least 19 recordsLinked to original sources

arXiv2026

Fermat Active Laplace Learning for Semi-Supervised Hyperspectral Image Classification

Two active learning algorithms for hyperspectral image (HSI) classification are proposed that combine density-aware Fermat distances with Poisson-reweighted harmonic label propagation. Our methods actively query points using an uncertainty-based acquisition function, extending Poisson ReWeighted Laplace Learning (PWLL). Our first algorithm, Fermat Active Laplace Learning (FALL), builds an affinity matrix using Fermat distances between all data points. Then, PWLL is run with a diagonal perturbation using the minimum-norm acquisition function. In contrast, Approximate FALL (A-FALL) computes Fermat distances between each data point and landmark pixels selected via farthest-point sampling and constructs the affinity matrix using landmark multidimensional scaling. After several query rounds, A-FALL selects the Fermat exponent $p$ using a leave-one-out cross-validation variant. FALL and A-FALL leverage Fermat distances and subsequent harmonic label propagation to provide a density-aware estimation of the data manifold, improving labeling accuracy. Experiments on Salinas A and Pavia show the effectiveness of FALL and the scalability of A-FALL to large HSI scenes.

cs.CV↗

arXiv2026

Deep Spatially-Regularized and Superpixel-Based Diffusion Learning for Unsupervised Hyperspectral Image Clustering

An unsupervised framework for hyperspectral image (HSI) clustering is proposed that incorporates masked deep representation learning with diffusion-based clustering, extending the Spatially-Regularized Superpixel-based Diffusion Learning ($S^2DL$) algorithm. Initially, a denoised latent representation of the original HSI is learned via an unsupervised masked autoencoder (UMAE) model with a Vision Transformer backbone. The UMAE takes spatial context and long-range spectral correlations into account and incorporates an efficient pretraining process via masking that utilizes only a small subset of training pixels. In the next stage, the entropy rate superpixel (ERS) algorithm is used to segment the image into superpixels, and a spatially regularized diffusion graph is constructed using Euclidean and diffusion distances within the compressed latent space instead of the HSI space. The proposed algorithm, Deep Spatially-Regularized Superpixel-based Diffusion Learning ($DS^2DL$), leverages more faithful diffusion distances and subsequent diffusion graph construction that better reflect the intrinsic geometry of the underlying data manifold, improving labeling accuracy and clustering quality. Experiments on Botswana and KSC datasets demonstrate the efficacy of $DS^2DL$.

cs.CV↗

arXiv2026

Static and Dynamic Approaches to Computing Barycenters of Probability Measures on Graphs

The optimal transportation problem defines a geometry of probability measures which leads to a definition for weighted averages (barycenters) of measures, finding application in the machine learning and computer vision communities as a signal processing tool. Here, we implement a barycentric coding model for measures which are supported on a graph, a context in which the classical optimal transport geometry becomes degenerate, by leveraging a Riemannian structure on the simplex induced by a dynamic formulation of the optimal transport problem. We approximate the exponential mapping associated to the Riemannian structure, as well as its inverse, by utilizing past approaches which compute action minimizing curves in order to numerically approximate transport distances for measures supported on discrete spaces. Intrinsic gradient descent is then used to synthesize barycenters, wherein gradients of a variance functional are computed by approximating geodesic curves between the current iterate and the reference measures; iterates are then pushed forward via a discretization of the continuity equation. Analysis of measures with respect to given dictionary of references is performed by solving a quadratic program formed by computing geodesics between target and reference measures. We compare our novel approach to one based on entropic regularization of the static formulation of the optimal transport problem where the graph structure is encoded via graph distance functions, we present numerical experiments validating our approach, and we conclude that intrinsic gradient descent on the probability simplex provides a coherent framework for the synthesis and analysis of measures supported on graphs.

stat.ML↗

arXiv2026

Unbalanced Optimal Transport Dictionary Learning for Unsupervised Hyperspectral Image Clustering

Hyperspectral images capture vast amounts of high-dimensional spectral information about a scene, making labeling an intensive task that is resistant to out-of-the-box statistical methods. Unsupervised learning of clusters allows for automated segmentation of the scene, enabling a more rapid understanding of the image. Partitioning the spectral information contained within the data via dictionary learning in Wasserstein space has proven an effective method for unsupervised clustering. However, this approach requires balancing the spectral profiles of the data, blurring the classes, and sacrificing robustness to outliers and noise. In this paper, we suggest improving this approach by utilizing unbalanced Wasserstein barycenters to learn a lower-dimensional representation of the underlying data. The deployment of spectral clustering on the learned representation results in an effective approach for the unsupervised learning of labels.

cs.CV↗

arXiv2026

Wasserstein-based identification of metastable states in time series data via change point detection and segment clustering

Change point detection for time series analysis is a difficult and important problem in applied statistics, for which a variety of approaches have been developed in the past several decades. Here, the Wasserstein metric is employed as a tool for change-point identification in multi-dimensional time series data in order to identify clusters in time series in an unsupervised way. We leverage the simplicity of the optimal transport cost in the 1-dimensional setting to quickly identify both a segmentation (family of change points for a trajectory) and a clustering for the data when the number of segments is much smaller than the number of data points, making no parametric assumptions about the particular distributions involved. Our change point detection method scales linearly in the size of the data and in the dimension of the samples. We test our approach on idealized synthetic data trajectories, as well as real world trajectories coming from the domain of molecular dynamics simulations and underwater acoustics. We find that segmenting these time series via change points obtained by estimating the Wasserstein metric derivative and then clustering the identified segments as measures with similarity measured by the Wasserstein metric, successfully identifies metastable states in the law of the processes.

math.ST↗

arXiv2025

Gromov-Wasserstein Barycenters: The Analysis Problem

This paper considers the problem of estimating a matrix that encodes pairwise distances in a finite metric space (or, more generally, the edge weight matrix of a network) under the barycentric coding model (BCM) with respect to the Gromov-Wasserstein (GW) distance function. We frame this task as estimating the unknown barycentric coordinates with respect to the GW distance, assuming that the target matrix (or kernel) belongs to the set of GW barycenters of a finite collection of known templates. In the language of harmonic analysis, if computing GW barycenters can be viewed as a synthesis problem, this paper aims to solve the corresponding analysis problem. We propose two methods: one utilizing fixed-point iteration for computing GW barycenters, and another employing a differentiation-based approach to the GW structure using a blow-up technique. Finally, we demonstrate the application of the proposed GW analysis approach in a series of numerical experiments and applications to machine learning.

math.OC↗

arXiv2025

Synthesis and Analysis of Data as Probability Measures with Entropy-Regularized Optimal Transport

We consider synthesis and analysis of probability measures using the entropy-regularized Wasserstein-2 cost and its unbiased version, the Sinkhorn divergence. The synthesis problem consists of computing the barycenter, with respect to these costs, of reference measures given a set of coefficients belonging to the simplex. The analysis problem consists of finding the coefficients for the closest barycenter in the Wasserstein-2 distance to a given measure. Under the weakest assumptions on the measures thus far in the literature, we compute the derivative of the entropy-regularized Wasserstein-2 cost. We leverage this to establish a characterization of barycenters with respect to the entropy-regularized Wasserstein-2 cost as solutions that correspond to a fixed point of an average of the entropy-regularized displacement maps. This characterization yields a finite-dimensional, convex, quadratic program for solving the analysis problem when the measure being analyzed is a barycenter with respect to the entropy-regularized Wasserstein-2 cost. We show that these coefficients, as well as the value of the barycenter functional, can be estimated from samples with dimension-independent rates of convergence, and that barycentric coefficients are stable with respect to perturbations in the Wasserstein-2 metric. We employ the barycentric coefficients as features for classification of corrupted point cloud data, and show that compared to neural network baselines, our approach is more efficient in small training data regimes.

stat.ML↗

arXiv2024

Linearized Wasserstein Barycenters: Synthesis, Analysis, Representational Capacity, and Applications

We propose the linear barycentric coding model (LBCM) which utilizes the linear optimal transport (LOT) metric for analysis and synthesis of probability measures. We provide a closed-form solution to the variational problem characterizing the probability measures in the LBCM and establish equivalence of the LBCM to the set of 2-Wasserstein barycenters in the special case of compatible measures. Computational methods for synthesizing and analyzing measures in the LBCM are developed with finite sample guarantees. One of our main theoretical contributions is to identify an LBCM, expressed in terms of a simple family, which is sufficient to express all probability measures on the closed unit interval. We show that a natural analogous construction of an LBCM in 2 dimensions fails, and we leave it as an open problem to identify the proper extension in more than 1 dimension. We conclude by demonstrating the utility of LBCM for covariance estimation and data imputation.

stat.ML↗

arXiv2024

K-Deep Simplex: Deep Manifold Learning via Local Dictionaries

We propose K-Deep Simplex(KDS) which, given a set of data points, learns a dictionary comprising synthetic landmarks, along with representation coefficients supported on a simplex. KDS employs a local weighted $\ell_1$ penalty that encourages each data point to represent itself as a convex combination of nearby landmarks. We solve the proposed optimization program using alternating minimization and design an efficient, interpretable autoencoder using algorithm unrolling. We theoretically analyze the proposed program by relating the weighted $\ell_1$ penalty in KDS to a weighted $\ell_0$ program. Assuming that the data are generated from a Delaunay triangulation, we prove the equivalence of the weighted $\ell_1$ and weighted $\ell_0$ programs. We further show the stability of the representation coefficients under mild geometrical assumptions. If the representation coefficients are fixed, we prove that the sub-problem of minimizing over the dictionary yields a unique solution. Further, we show that low-dimensional representations can be efficiently obtained from the covariance of the coefficient matrix. Experiments show that the algorithm is highly efficient and performs competitively on synthetic and real data sets.

cs.LG↗

arXiv2024

Locality Regularized Reconstruction: Structured Sparsity and Delaunay Triangulations

Linear representation learning is widely studied due to its conceptual simplicity and empirical utility in tasks such as compression, classification, and feature extraction. Given a set of points $[\mathbf{x}_1, \mathbf{x}_2, \ldots, \mathbf{x}_n] = \mathbf{X} \in \mathbb{R}^{d \times n}$ and a vector $\mathbf{y} \in \mathbb{R}^d$, the goal is to find coefficients $\mathbf{w} \in \mathbb{R}^n$ so that $\mathbf{X} \mathbf{w} \approx \mathbf{y}$, subject to some desired structure on $\mathbf{w}$. In this work we seek $\mathbf{w}$ that forms a local reconstruction of $\mathbf{y}$ by solving a regularized least squares regression problem. We obtain local solutions through a locality function that promotes the use of columns of $\mathbf{X}$ that are close to $\mathbf{y}$ when used as a regularization term. We prove that, for all levels of regularization and under a mild condition that the columns of $\mathbf{X}$ have a unique Delaunay triangulation, the optimal coefficients' number of non-zero entries is upper bounded by $d+1$, thereby providing local sparse solutions when $d \ll n$. Under the same condition we also show that for any $\mathbf{y}$ contained in the convex hull of $\mathbf{X}$ there exists a regime of regularization parameter such that the optimal coefficients are supported on the vertices of the Delaunay simplex containing $\mathbf{y}$. This provides an interpretation of the sparsity as having structure obtained implicitly from the Delaunay triangulation of $\mathbf{X}$. We demonstrate that our locality regularized problem can be solved in comparable time to other methods that identify the containing Delaunay simplex.

cs.LG↗

arXiv2023

Superpixel-based and Spatially-regularized Diffusion Learning for Unsupervised Hyperspectral Image Clustering

Hyperspectral images (HSIs) provide exceptional spatial and spectral resolution of a scene, crucial for various remote sensing applications. However, the high dimensionality, presence of noise and outliers, and the need for precise labels of HSIs present significant challenges to HSIs analysis, motivating the development of performant HSI clustering algorithms. This paper introduces a novel unsupervised HSI clustering algorithm, Superpixel-based and Spatially-regularized Diffusion Learning (S2DL), which addresses these challenges by incorporating rich spatial information encoded in HSIs into diffusion geometry-based clustering. S2DL employs the Entropy Rate Superpixel (ERS) segmentation technique to partition an image into superpixels, then constructs a spatially-regularized diffusion graph using the most representative high-density pixels. This approach reduces computational burden while preserving accuracy. Cluster modes, serving as exemplars for underlying cluster structure, are identified as the highest-density pixels farthest in diffusion distance from other highest-density pixels. These modes guide the labeling of the remaining representative pixels from ERS superpixels. Finally, majority voting is applied to the labels assigned within each superpixel to propagate labels to the rest of the image. This spatial-spectral approach simultaneously simplifies graph construction, reduces computational cost, and improves clustering performance. S2DL's performance is illustrated with extensive experiments on three publicly available, real-world HSIs: Indian Pines, Salinas, and Salinas A. Additionally, we apply S2DL to landscape-scale, unsupervised mangrove species mapping in the Mai Po Nature Reserve, Hong Kong, using a Gaofen-5 HSI. The success of S2DL in these diverse numerical experiments indicates its efficacy on a wide range of important unsupervised remote sensing analysis tasks.

cs.CV↗

arXiv2023

Estimation of entropy-regularized optimal transport maps between non-compactly supported measures

This paper addresses the problem of estimating entropy-regularized optimal transport (EOT) maps with squared-Euclidean cost between source and target measures that are subGaussian. In the case that the target measure is compactly supported or strongly log-concave, we show that for a recently proposed in-sample estimator, the expected squared $L^2$-error decays at least as fast as $O(n^{-1/3})$ where $n$ is the sample size. For the general subGaussian case we show that the expected $L^1$-error decays at least as fast as $O(n^{-1/6})$, and in both cases we have polynomial dependence on the regularization parameter. While these results are suboptimal compared to known results in the case of compactness of both the source and target measures (squared $L^2$-error converging at a rate $O(n^{-1})$) and for when the source is subGaussian while the target is compactly supported (squared $L^2$-error converging at a rate $O(n^{-1/2})$), their importance lie in eliminating the compact support requirements. The proof technique makes use of a bias-variance decomposition where the variance is controlled using standard concentration of measure results and the bias is handled by T1-transport inequalities along with sample complexity results in estimation of EOT cost under subGaussian assumptions. Our experimental results point to a looseness in controlling the variance terms and we conclude by posing several open problems.

stat.ML↗

arXiv2023

Fermat Distances: Metric Approximation, Spectral Convergence, and Clustering Algorithms

We analyze the convergence properties of Fermat distances, a family of density-driven metrics defined on Riemannian manifolds with an associated probability measure. Fermat distances may be defined either on discrete samples from the underlying measure, in which case they are random, or in the continuum setting, in which they are induced by geodesics under a density-distorted Riemannian metric. We prove that discrete, sample-based Fermat distances converge to their continuum analogues in small neighborhoods with a precise rate that depends on the intrinsic dimensionality of the data and the parameter governing the extent of density weighting in Fermat distances. This is done by leveraging novel geometric and statistical arguments in percolation theory that allow for non-uniform densities and curved domains. Our results are then used to prove that discrete graph Laplacians based on discrete, sample-driven Fermat distances converge to corresponding continuum operators. In particular, we show the discrete eigenvalues and eigenvectors converge to their continuum analogues at a dimension-dependent rate, which allows us to interpret the efficacy of discrete spectral clustering using Fermat distances in terms of the resulting continuum limit. The perspective afforded by our discrete-to-continuum Fermat distance analysis leads to new clustering algorithms for data and related insights into efficient computations associated to density-driven spectral clustering. Our theoretical analysis is supported with numerical simulations and experiments on synthetic and real image data.

stat.ML↗

arXiv2023

Unsupervised Diffusion and Volume Maximization-Based Clustering of Hyperspectral Images

Hyperspectral images taken from aircraft or satellites contain information from hundreds of spectral bands, within which lie latent lower-dimensional structures that can be exploited for classifying vegetation and other materials. A disadvantage of working with hyperspectral images is that, due to an inherent trade-off between spectral and spatial resolution, they have a relatively coarse spatial scale, meaning that single pixels may correspond to spatial regions containing multiple materials. This article introduces the Diffusion and Volume maximization-based Image Clustering (D-VIC) algorithm for unsupervised material clustering to address this problem. By directly incorporating pixel purity into its labeling procedure, D-VIC gives greater weight to pixels that correspond to a spatial region containing just a single material. D-VIC is shown to outperform comparable state-of-the-art methods in extensive experiments on a range of hyperspectral images, including land-use maps and highly mixed forest health surveys (in the context of ash dieback disease), implying that it is well-equipped for unsupervised material clustering of spectrally-mixed hyperspectral datasets.

cs.CV↗

arXiv2023

On Rank Energy Statistics via Optimal Transport: Continuity, Convergence, and Change Point Detection

This paper considers the use of recently proposed optimal transport-based multivariate test statistics, namely rank energy and its variant the soft rank energy derived from entropically regularized optimal transport, for the unsupervised nonparametric change point detection (CPD) problem. We show that the soft rank energy enjoys both fast rates of statistical convergence and robust continuity properties which lead to strong performance on real datasets. Our theoretical analyses remove the need for resampling and out-of-sample extensions previously required to obtain such rates. In contrast the rank energy suffers from the curse of dimensionality in statistical estimation and moreover can signal a change point from arbitrarily small perturbations, which leads to a high rate of false alarms in CPD. Additionally, under mild regularity conditions, we quantify the discrepancy between soft rank energy and rank energy in terms of the regularization parameter. Finally, we show our approach performs favorably in numerical experiments compared to several other optimal transport-based methods as well as maximum mean discrepancy.

stat.ML↗

arXiv2022

Multivariate rank via entropic optimal transport: sample efficiency and generative modeling

The framework of optimal transport has been leveraged to extend the notion of rank to the multivariate setting while preserving desirable properties of the resulting goodness-of-fit (GoF) statistics. In particular, the rank energy (RE) and rank maximum mean discrepancy (RMMD) are distribution-free under the null, exhibit high power in statistical testing, and are robust to outliers. In this paper, we point to and alleviate some of the practical shortcomings of these proposed GoF statistics, namely their high computational cost, high statistical sample complexity, and lack of differentiability with respect to the data. We show that all these practically important issues are addressed by considering entropy-regularized optimal transport maps in place of the rank map, which we refer to as the soft rank. We consequently propose two new statistics, the soft rank energy (sRE) and soft rank maximum mean discrepancy (sRMMD), which exhibit several desirable properties. Given $n$ sample data points, we provide non-asymptotic convergence rates for the sample estimate of the entropic transport map to its population version that are essentially of the order $n^{-1/2}$ when the starting measure is subgaussian and the target measure has compact support. This result is novel compared to existing results which achieve a rate of $n^{-1}$ but crucially rely on both measures having compact support. We leverage this result to demonstrate fast convergence of sample sRE and sRMMD to their population version making them useful for high-dimensional GoF testing. Our statistics are differentiable and amenable to popular machine learning frameworks that rely on gradient methods. We leverage these properties towards showcasing the utility of the proposed statistics for generative modeling on two important problems: image generation and generating valid knockoffs for controlled feature selection.

stat.ML↗

arXiv2022

Geometric Sparse Coding in Wasserstein Space

Wasserstein dictionary learning is an unsupervised approach to learning a collection of probability distributions that generate observed distributions as Wasserstein barycentric combinations. Existing methods for Wasserstein dictionary learning optimize an objective that seeks a dictionary with sufficient representation capacity via barycentric interpolation to approximate the observed training data, but without imposing additional structural properties on the coefficients associated to the dictionary. This leads to dictionaries that densely represent the observed data, which makes interpretation of the coefficients challenging and may also lead to poor empirical performance when using the learned coefficients in downstream tasks. In contrast and motivated by sparse dictionary learning in Euclidean spaces, we propose a geometrically sparse regularizer for Wasserstein space that promotes representations of a data point using only nearby dictionary elements. We show this approach leads to sparse representations in Wasserstein space and addresses the problem of non-uniqueness of barycentric representation. Moreover, when data is generated as Wasserstein barycenters of fixed distributions, this regularizer facilitates the recovery of the generating distributions in cases that are ill-posed for unregularized Wasserstein dictionary learning. Through experimentation on synthetic and real data, we show that our geometrically regularized approach yields sparser and more interpretable dictionaries in Wasserstein space, which perform better in downstream applications.

cs.LG↗

arXiv2022

Measure Estimation in the Barycentric Coding Model

This paper considers the problem of measure estimation under the barycentric coding model (BCM), in which an unknown measure is assumed to belong to the set of Wasserstein-2 barycenters of a finite set of known measures. Estimating a measure under this model is equivalent to estimating the unknown barycentric coordinates. We provide novel geometrical, statistical, and computational insights for measure estimation under the BCM, consisting of three main results. Our first main result leverages the Riemannian geometry of Wasserstein-2 space to provide a procedure for recovering the barycentric coordinates as the solution to a quadratic optimization problem assuming access to the true reference measures. The essential geometric insight is that the parameters of this quadratic problem are determined by inner products between the optimal displacement maps from the given measure to the reference measures defining the BCM. Our second main result then establishes an algorithm for solving for the coordinates in the BCM when all the measures are observed empirically via i.i.d. samples. We prove precise rates of convergence for this algorithm -- determined by the smoothness of the underlying measures and their dimensionality -- thereby guaranteeing its statistical consistency. Finally, we demonstrate the utility of the BCM and associated estimation procedures in three application areas: (i) covariance estimation for Gaussian measures; (ii) image processing; and (iii) natural language processing.

stat.ML↗