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This paper focuses on developing a framework for constructing quasi-interpolation with the highest achievable approximation order from generalized Gaussian kernels with the help of kernel restriction trick and periodization technique. We…

This paper presents GeNI-ADMM, a framework for large-scale composite convex optimization that facilitates theoretical analysis of both existing and new approximate ADMM schemes. GeNI-ADMM encompasses any ADMM algorithm that solves a first-…

Proposing an effective and flexible matrix to represent a graph is a fundamental challenge that has been explored from multiple perspectives, e.g., filtering in Graph Fourier Transforms. In this work, we develop a novel and general…

Coarse-graining (CG) of molecular simulations simplifies the particle representation by grouping selected atoms into pseudo-beads and drastically accelerates simulation. However, such CG procedure induces information losses, which makes…

The maximum common subtree isomorphism problem asks for the largest possible isomorphism between subtrees of two given input trees. This problem is a natural restriction of the maximum common subgraph problem, which is ${\sf NP}$-hard in…

Branchwidth determines how graphs, and more generally, arbitrary connectivity (basically symmetric and submodular) functions could be decomposed into a tree-like structure by specific cuts. We develop a general framework for designing…

We propose a simple and easy-to-implement scheme for a renormalon-free gluon condensate (GC) matrix element, which is analogous to implementations of short-distance heavy-quark mass renormalization schemes existing in the literature already…

In this work, the fast-convolving reproducing kernel particle method (FC-RKPM) is introduced. This method is hundreds to millions of times faster than the traditional RKPM for 3D meshfree simulations. In this approach, the meshfree…

Generalized Polynomial Chaos (gPC) expansions are well established for forward uncertainty propagation in many application areas. Although the associated computational effort may be reduced in comparison to Monte Carlo techniques, for…

We propose a conditional gradient framework for a composite convex minimization template with broad applications. Our approach combines smoothing and homotopy techniques under the CGM framework, and provably achieves the optimal…

In this paper, we consider an approximation method, and a novel general analysis, for second-order elliptic differential equations with heterogeneous multiscale coefficients. We obtain convergence of the Generalized Multi-scale Finite…

This paper expands the Cyclic Block Proximal Gradient method for block separable composite minimization by allowing for inexactly computed gradients and proximal maps. The resultant algorithm, the Inexact Cyclic Block Proximal Gradient…

Recently, a new polynomial basis over binary extension fields was proposed such that the fast Fourier transform (FFT) over such fields can be computed in the complexity of order $\mathcal{O}(n\lg(n))$, where $n$ is the number of points…

Gaussian process (GP) regression is a fundamental tool in Bayesian statistics. It is also known as kriging and is the Bayesian counterpart to the frequentist kernel ridge regression. Most of the theoretical work on GP regression has focused…

Spectral Graph Neural Networks (GNNs), also referred to as graph filters have gained increasing prevalence for heterophily graphs. Optimal graph filters rely on Laplacian eigendecomposition for Fourier transform. In an attempt to avert the…

In this article we develop a convergence theory for goal-oriented adaptive finite element algorithms designed for a class of second-order semilinear elliptic equations. We briefly discuss the target problem class, and introduce several…

We present a novel approximate graph matching algorithm that incorporates seeded data into the graph matching paradigm. Our Joint Optimization of Fidelity and Commensurability (JOFC) algorithm embeds two graphs into a common Euclidean space…

In this article, we propose two numerical methods, the Gaussian Process (GP) method and the Fourier Features (FF) algorithm, to solve mean field games (MFGs). The GP algorithm approximates the solution of a MFG with maximum a posteriori…

Generalized gradient approximated (GGA) density functional theory (DFT) typically overestimates polarizability and bond-lengths, and underestimates force constants of covalent bonds. To overcome this problem we show that one can use…

We study the performance of adaptive Fourier-Galerkin methods in a periodic box in $\mathbb{R}^d$ with dimension $d\ge 1$. These methods offer unlimited approximation power only restricted by solution and data regularity. They are of…