arXiv subjects

Katy Craig

Publications and source records attributed to Katy Craig.

At least 19 recordsLinked to original sources

arXiv2026

Random blob methods for diffusion

Linear and nonlinear diffusion equations arise in a range of phenomena of mathematical interest, including slow and fast diffusion, sandpile dynamics, height-constrained transport, the two-dimensional Navier-Stokes equation, and dynamics for sampling probability measures. In recent years, blob methods have attracted significant interest as an approach for numerically simulating these types of PDEs. To address the $O(N^2)$ computational bottleneck of blob methods, we consider stochastic discretizations of space and time. We compare the random batch method with a new approach, which we call the random multirate method. Both of these methods build on classical stochastic methods in the optimization literature, with many similarities to stochastic gradient descent and random coordinate descent. We find that, for linear and nonlinear diffusion equations, in the tradeoff between computational complexity and accuracy, the random multirate method has the best performance. On one hand, we prove that the random multirate method converges to the underlying ODE system at a rate of $O(k \Delta t)$, matching forward Euler, and show by example that this rate is theoretically sharp. On the other hand, we observe even better rates of convergence for the random multirate method when applied to ODEs arising from blob methods for diffusive PDEs. Finally, due to its ability to simulate a wide range of nonlinear diffusion equations, including height-constrained transport and sandpile dynamics, our method succeeds in capturing key features of PDEs for which few numerical approaches exist.

math.NA↗

arXiv2026

Unfolding with a Wasserstein Loss

Data unfolding -- the removal of noise or artifacts from measurements -- is a fundamental task across the experimental sciences. Of particular interest are applications in physics, where the dominant approach is Richardson-Lucy (RL) deconvolution. The classical RL approach aims to find denoised data that, once passed through the noise model, is as close as possible to the measured data in terms of Kullback-Leibler (KL) divergence. This requires that the support of the measured data overlaps with the output of the noise model, a hypothesis typically enforced by binning, which introduces numerical error. As a counterpoint, the present work studies an alternative formulation using a Wasserstein loss. We establish sharp conditions for existence and uniqueness of optimizers, answering open questions of Li, et al., regarding necessary conditions for uniqueness in the case of transport map noise models. We then develop a provably convergent generalized Sinkhorn algorithm to compute approximate optimizers. Our algorithm requires only empirical observations of the noise model and measured data and scales with the size of the data, rather than the ambient dimension. Numerical experiments on one- and two-dimensional problems inspired by jet mass unfolding in particle physics demonstrate that the optimal transport approach offers robust, accurate performance compared to classical RL deconvolution, particularly when binning artifacts are significant.

math.OC↗

arXiv2025

Vector valued optimal transport: from dynamic to static formulations

Motivated by applications in classification of vector valued measures and multispecies PDE, we develop a theory that unifies existing notions of vector valued optimal transport, from dynamic formulations (\`a la Benamou-Brenier) to static formulations (\`a la Kantorovich). In our framework, vector valued measures are modeled as probability measures on a product space $\mathbb{R}^d \times G$, where $G$ is a weighted graph over a finite set of nodes and the graph geometry strongly influences the associated dynamic and static distances. We obtain sharp inequalities relating four notions of vector valued optimal transport and prove that the distances are mutually bi-H\"older equivalent. We discuss the theoretical and practical advantages of each metric and indicate potential applications in multispecies PDE and data analysis. In particular, one of the static formulations discussed in the paper is amenable to linearization, a technique that has been explored in recent years to accelerate the computation of pairwise optimal transport distances.

math.AP↗

arXiv2025

Multi-scale Optimal Transport for Complete Collider Events

Building upon the success of optimal transport metrics defined for single collinear jets, we develop a multi-scale framework that models entire collider events as distributions on the manifold of their constituent jets, which are themselves distributions on the ground space of the calorimeter. This hierarchical structure of optimal transport effectively captures relevant physics at different scales. We demonstrate the versatility of our method in two event classification tasks, which respectively emphasize intra-jet substructure and inter-jet spatial correlations. Our results highlight the relevance of a nested structure of manifolds in the treatment of full collider events, broadening the applicability of optimal transport methods in collider analyses.

hep-ph↗

arXiv2024

Wavelet s-Wasserstein distances for 0 < s <= 1

Motivated by classical harmonic analysis results characterizing H\"older spaces in terms of the decay of their wavelet coefficients, we consider wavelet methods for computing s-Wasserstein type distances. Previous work by Sheory (n\'e Shirdhonkar) and Jacobs showed that, for 0 < s <= 1, the s-Wasserstein distance W_s between certain probability measures on Euclidean space is equivalent to a weighted l_1 difference of their wavelet coefficients. We demonstrate that the original statement of this equivalence is incorrect in a few aspects and, furthermore, fails to capture key properties of the W_s distance, such as its behavior under translations of probability measures. Inspired by this, we consider a variant of the previous wavelet distance formula for which equivalence (up to an arbitrarily small error) does hold for 0 < s < 1. We analyze the properties of this distance, one of which is that it provides a natural embedding of the s-Wasserstein space into a linear space. We conclude with several numerical simulations. Even though our theoretical result merely ensures that the new wavelet s-Wasserstein distance is equivalent to the classical W_s distance (up to an error), our numerical simulations show that the new wavelet distance succeeds in capturing the behavior of the exact W_s distance under translations and dilations of probability measures.

math.NA↗

arXiv2024

A Blob Method for Mean Field Control With Terminal Constraints

In the present work, we develop a novel particle method for a general class of mean field control problems, with source and terminal constraints. Specific examples of the problems we consider include the dynamic formulation of the p-Wasserstein metric, optimal transport around an obstacle, and measure transport subject to acceleration controls. Unlike existing numerical approaches, our particle method is meshfree and does not require global knowledge of an underlying cost function or of the terminal constraint. A key feature of our approach is a novel way of enforcing the terminal constraint via a soft, nonlocal approximation, inspired by recent work on blob methods for diffusion equations. We prove convergence of our particle approximation to solutions of the continuum mean-field control problem in the sense of Gamma-convergence. A byproduct of our result is an extension of existing discrete-to-continuum convergence results for mean field control problems to more general state and measure costs, as arise when modeling transport around obstacles, and more general constraint sets, including controllable linear time invariant systems. Finally, we conclude by implementing our method numerically and using it to compute solutions the example problems discussed above. We conduct a detailed numerical investigation of the convergence properties of our method, as well as its behavior in sampling applications and for approximation of optimal transport maps.

math.OC↗

arXiv2023

Nonlocal Approximation of Slow and Fast Diffusion

Motivated by recent work on approximation of diffusion equations by deterministic interacting particle systems, we develop a nonlocal approximation for a range of linear and nonlinear diffusion equations and prove convergence of the method in the slow, linear, and fast diffusion regimes. A key ingredient of our approach is a novel technique for using the 2-Wasserstein and dual Sobolev gradient flow structures of the diffusion equations to recover the duality relation characterizing the pressure in the nonlocal-to-local limit. Due to the general class of internal energy densities that our method is able to handle, a byproduct of our result is a novel particle method for sampling a wide range of probability measures, which extends classical approaches based on the Fokker-Planck equation beyond the log-concave setting.

math.AP↗

arXiv2022

Wasserstein Archetypal Analysis

Archetypal analysis is an unsupervised machine learning method that summarizes data using a convex polytope. In its original formulation, for fixed k, the method finds a convex polytope with k vertices, called archetype points, such that the polytope is contained in the convex hull of the data and the mean squared Euclidean distance between the data and the polytope is minimal. In the present work, we consider an alternative formulation of archetypal analysis based on the Wasserstein metric, which we call Wasserstein archetypal analysis (WAA). In one dimension, there exists a unique solution of WAA and, in two dimensions, we prove existence of a solution, as long as the data distribution is absolutely continuous with respect to Lebesgue measure. We discuss obstacles to extending our result to higher dimensions and general data distributions. We then introduce an appropriate regularization of the problem, via a Renyi entropy, which allows us to obtain existence of solutions of the regularized problem for general data distributions, in arbitrary dimensions. We prove a consistency result for the regularized problem, ensuring that if the data are iid samples from a probability measure, then as the number of samples is increased, a subsequence of the archetype points converges to the archetype points for the limiting data distribution, almost surely. Finally, we develop and implement a gradient-based computational approach for the two-dimensional problem, based on the semi-discrete formulation of the Wasserstein metric. Our analysis is supported by detailed computational experiments.

stat.ML↗

arXiv2022

A blob method for inhomogeneous diffusion with applications to multi-agent control and sampling

As a counterpoint to classical stochastic particle methods for linear diffusion equations, we develop a deterministic particle method for the weighted porous medium equation (WPME) and prove its convergence on bounded time intervals. This generalizes related work on blob methods for unweighted porous medium equations. From a numerical analysis perspective, our method has several advantages: it is meshfree, preserves the gradient flow structure of the underlying PDE, converges in arbitrary dimension, and captures the correct asymptotic behavior in simulations. That our method succeeds in capturing the long time behavior of WPME is significant from the perspective of related problems in quantization. Just as the Fokker-Planck equation provides a way to quantize a probability measure $\bar{\rho}$ by evolving an empirical measure according to stochastic Langevin dynamics so that the empirical measure flows toward $\bar{\rho}$, our particle method provides a way to quantize $\bar{\rho}$ according to deterministic particle dynamics approximating WMPE. In this way, our method has natural applications to multi-agent coverage algorithms and sampling probability measures. A specific case of our method corresponds exactly to confined mean-field dynamics of training a two-layer neural network for a radial basis function activation function. From this perspective, our convergence result shows that, in the overparametrized regime and as the variance of the radial basis functions goes to zero, the continuum limit is given by WPME. This generalizes previous results, which considered the case of a uniform data distribution, to the more general inhomogeneous setting. As a consequence of our convergence result, we identify conditions on the target function and data distribution for which convexity of the energy landscape emerges in the continuum limit.

math.AP↗

arXiv2021

Which Metric on the Space of Collider Events?

Which is the best metric for the space of collider events? Motivated by the success of the Energy Mover's Distance in characterizing collider events, we explore the larger space of unbalanced optimal transport distances, of which the Energy Mover's Distance is a particular case. Geometric and computational considerations favor an unbalanced optimal transport distance known as the Hellinger-Kantorovich distance, which possesses a Riemannian structure that lends itself to efficient linearization. We develop the particle linearized unbalanced Optimal Transport (pluOT) framework for collider events based on the linearized Hellinger-Kantorovich distance and demonstrate its efficacy in boosted jet tagging. This provides a flexible and computationally efficient optimal transport framework ideally suited for collider physics applications.

hep-ph↗

arXiv2021

Clustering dynamics on graphs: from spectral clustering to mean shift through Fokker-Planck interpolation

In this work we build a unifying framework to interpolate between density-driven and geometry-based algorithms for data clustering, and specifically, to connect the mean shift algorithm with spectral clustering at discrete and continuum levels. We seek this connection through the introduction of Fokker-Planck equations on data graphs. Besides introducing new forms of mean shift algorithms on graphs, we provide new theoretical insights on the behavior of the family of diffusion maps in the large sample limit as well as provide new connections between diffusion maps and mean shift dynamics on a fixed graph. Several numerical examples illustrate our theoretical findings and highlight the benefits of interpolating density-driven and geometry-based clustering algorithms.

stat.ML↗

arXiv2020

Linearized Optimal Transport for Collider Events

We introduce an efficient framework for computing the distance between collider events using the tools of Linearized Optimal Transport (LOT). This preserves many of the advantages of the recently-introduced Energy Mover's Distance, which quantifies the "work" required to rearrange one event into another, while significantly reducing the computational cost. It also furnishes a Euclidean embedding amenable to simple machine learning algorithms and visualization techniques, which we demonstrate in a variety of jet tagging examples. The LOT approximation lowers the threshold for diverse applications of the theory of optimal transport to collider physics.

hep-ph↗

arXiv2020

A Proximal-Gradient Algorithm for Crystal Surface Evolution

As a counterpoint to recent numerical methods for crystal surface evolution, which agree well with microscopic dynamics but suffer from significant stiffness that prevents simulation on fine spatial grids, we develop a new numerical method based on the macroscopic partial differential equation, leveraging its formal structure as the gradient flow of the total variation energy, with respect to a weighted $H^{-1}$ norm. This gradient flow structure relates to several metric space gradient flows of recent interest, including 2-Wasserstein flows and their generalizations to nonlinear mobilities. We develop a novel semi-implicit time discretization of the gradient flow, inspired by the classical minimizing movements scheme (known as the JKO scheme in the 2-Wasserstein case). We then use a primal dual hybrid gradient (PDHG) method to compute each element of the semi-implicit scheme. In one dimension, we prove convergence of the PDHG method to the semi-implicit scheme, under general integrability assumptions on the mobility and its reciprocal. Finally, by taking finite difference approximations of our PDHG method, we arrive at a fully discrete numerical algorithm, with iterations that converge at a rate independent of the spatial discretization: in particular, the convergence properties do not deteriorate as we refine our spatial grid. We close with several numerical examples illustrating the properties of our method, including facet formation at local maxima, pinning at local minima, and convergence as the spatial and temporal discretizations are refined.

math.NA↗

arXiv2019

Primal dual methods for Wasserstein gradient flows

Combining the classical theory of optimal transport with modern operator splitting techniques, we develop a new numerical method for nonlinear, nonlocal partial differential equations, arising in models of porous media, materials science, and biological swarming. Our method proceeds as follows: First, we discretize in time, either via the classical JKO scheme or via a novel Crank-Nicolson type method we introduce. Next, we use the Benamou-Brenier dynamical characterization of the Wasserstein distance to reduce computing the solution of the discrete time equations to solving fully discrete minimization problems, with strictly convex objective functions and linear constraints. Third, we compute the minimizers by applying a recently introduced, provably convergent primal dual splitting scheme for three operators [Yan 2018]. By leveraging the PDEs' underlying variational structure, our method overcomes stability issues present in previous numerical work built on explicit time discretizations, which suffer due to the equations' strong nonlinearities and degeneracies. Our method is also naturally positivity and mass preserving and, in the case of the JKO scheme, energy decreasing. We prove that minimizers of the fully discrete problem converge to minimizers of the spatially continuous, discrete time problem as the spatial discretization is refined. We conclude with simulations of nonlinear PDEs and Wasserstein geodesics in one and two dimensions that illustrate the key properties of our approach, including higher order convergence our novel Crank-Nicolson type method, when compared to the classical JKO method.

math.NA↗

arXiv2018

Aggregation-diffusion equations: dynamics, asymptotics, and singular limits

Given a large ensemble of interacting particles, driven by nonlocal interactions and localized repulsion, the mean-field limit leads to a class of nonlocal, nonlinear partial differential equations known as aggregation-diffusion equations. Over the past fifteen years, aggregation-diffusion equations have become widespread in biological applications and have also attracted significant mathematical interest, due to their competing forces at different length scales. These competing forces lead to rich dynamics, including symmetrization, stabilization, and metastability, as well as sharp dichotomies separating well-posedness from finite time blowup. In the present work, we review known analytical results for aggregation-diffusion equations and consider singular limits of these equations, including the slow diffusion limit, which leads to the constrained aggregation equation, as well as localized aggregation and vanishing diffusion limits, which lead to metastability behavior. We also review the range of numerical methods available for simulating solutions, with special attention devoted to recent advances in deterministic particle methods. We close by applying such a method -- the blob method for diffusion -- to showcase key properties of the dynamics of aggregation-diffusion equations and related singular limits.

math.AP↗

arXiv2018

Aggregation-Diffusion to Constrained Interaction: Minimizers & Gradient Flows in the Slow Diffusion Limit

Inspired by recent work on minimizers and gradient flows of constrained interaction energies, we prove that these energies arise as the slow diffusion limit of well-known aggregation-diffusion energies. We show that minimizers of aggregation-diffusion energies converge to a minimizer of the constrained interaction energy and gradient flows converge to a gradient flow. Our results apply to a range of interaction potentials, including singular attractive and repulsive-attractive power-law potentials. In the process of obtaining the slow diffusion limit, we also extend the well-posedness theory for aggregation-diffusion equations and Wasserstein gradient flows to admit a wide range of nonconvex interaction potentials. We conclude by applying our results to develop a numerical method for constrained interaction energies, which we use to investigate open questions on set valued minimizers.

math.AP↗

arXiv2017

A blob method for diffusion

As a counterpoint to classical stochastic particle methods for diffusion, we develop a deterministic particle method for linear and nonlinear diffusion. At first glance, deterministic particle methods are incompatible with diffusive partial differential equations since initial data given by sums of Dirac masses would be smoothed instantaneously: particles do not remain particles. Inspired by classical vortex blob methods, we introduce a nonlocal regularization of our velocity field that ensures particles do remain particles, and we apply this to develop a numerical blob method for a range of diffusive partial differential equations of Wasserstein gradient flow type, including the heat equation, the porous medium equation, the Fokker-Planck equation, the Keller-Segel equation, and its variants. Our choice of regularization is guided by the Wasserstein gradient flow structure, and the corresponding energy has a novel form, combining aspects of the well-known interaction and potential energies. In the presence of a confining drift or interaction potential, we prove that minimizers of the regularized energy exist and, as the regularization is removed, converge to the minimizers of the unregularized energy. We then restrict our attention to nonlinear diffusion of porous medium type with at least quadratic exponent. Under sufficient regularity assumptions, we prove that gradient flows of the regularized energies converge to solutions of the porous medium equation. As a corollary, we obtain convergence of our numerical blob method, again under sufficient regularity assumptions. We conclude by considering a range of numerical examples to demonstrate our method's rate of convergence to exact solutions and to illustrate key qualitative properties preserved by the method, including asymptotic behavior of the Fokker-Planck equation and critical mass of the two-dimensional Keller-Segel equation.

math.AP↗

arXiv2016

Congested aggregation via Newtonian interaction

We consider a congested aggregation model that describes the evolution of a density through the competing effects of nonlocal Newtonian attraction and a hard height constraint. This provides a counterpoint to existing literature on repulsive-attractive nonlocal interaction models, where the repulsive effects instead arise from an interaction kernel or the addition of diffusion. We formulate our model as the Wasserstein gradient flow of an interaction energy, with a penalization to enforce the constraint on the height of the density. From this perspective, the problem can be seen as a singular limit of the Keller-Segel equation with degenerate diffusion. Two key properties distinguish our problem from previous work on height constrained equations: nonconvexity of the interaction kernel (which places the model outside the scope of classical gradient flow theory) and nonlocal dependence of the velocity field on the density (which causes the problem to lack a comparison principle). To overcome these obstacles, we combine recent results on gradient flows of nonconvex energies with viscosity solution theory. We characterize the dynamics of patch solutions in terms of a Hele-Shaw type free boundary problem and, using this characterization, show that in two dimensions patch solutions converge to a characteristic function of a disk in the long-time limit, with explicit rate of convergence. We believe that a key contribution of the present work is our blended approach, combining energy methods with viscosity solution theory.

math.AP↗