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In recent times, a plethora of hardware accelerators have been put forth for graph learning applications such as vertex classification and graph classification. However, previous works have paid little attention to Knowledge Graph…

This work studies a composite minimization problem involving a differentiable function q and a nonsmooth function h, both of which may be nonconvex. This problem is ubiquitous in signal processing and machine learning yet remains…

The determination of a patient's DNA sequence can, in principle, reveal an increased risk to fall ill with particular diseases [1,2] and help to design "personalized medicine" [3]. Moreover, statistical studies and comparison of genomes [4]…

The atomically-precise controlled synthesis of graphene stripes embedded in hexagonal boron nitride opens up new possibilities for the construction of nanodevices with applications in sensing. Here, we explore properties related to…

This paper presents a novel distributed approach for solving AC power flow (PF) problems. The optimization problem is reformulated into a distributed form using a communication structure corresponding to a hypergraph, by which complex…

In this work we present RESCU, a powerful MATLAB-based Kohn-Sham density functional theory (KS-DFT) solver. We demonstrate that RESCU can compute the electronic structure properties of systems comprising many thousands of atoms using modest…

The Green's function method which has been originally proposed for linear systems has several extensions to the case of nonlinear equations. A recent extension has been proposed to deal with certain applications in quantum field theory. The…

During the past three decades, the advantageous concept of the Green's function has been extended from linear systems to nonlinear ones. At that, there exist a rigorous and an approximate extensions. The rigorous extension introduces the…

We investigate the electronic structure of graphene on a series of 2D hexagonal nitride insulators hXN, X = B, Al, and Ga, with DFT calculations. A symmetry-based model Hamiltonian is employed to extract orbital parameters and spin-orbit…

This article presents an $O(N\log N)$ method for numerical solution of Maxwell's equations for dielectric scatterers using a 3D boundary integral equation (BIE) method. The underlying BIE method used is based on a hybrid…

Single-particle resonances are crucial for exotic nuclei near and beyond the drip lines. Since the majority of nuclei are deformed, the interplay between deformation and orbital structure near threshold becomes very important and can lead…

A hybrid Schwarz/multigrid method for spectral element solvers to the Poisson equation in $\mathbb R^2$ is presented. It extends the additive Schwarz method studied by J. Lottes and P. Fischer (J. Sci. Comput. 24:45--78, 2005) by…

We examine fundamental properties of Green's functions of Nambu-Goldstone and Higgs modes in superconductors with multiple order parameters. Nambu-Goldstone and Higgs modes are determined once the symmetry of the system and that of the…

We present an implementation of range separated functionals utilizing the Slater-function on grids in real space in the projector augmented waves method. The screened Poisson equation is solved to evaluate the necessary screened exchange…

We present an enhanced version of the parametric nonlinear reduced order model for shape imperfections in structural dynamics we studied in a previous work [1]. The model is computed intrusively and with no training using information about…

This paper introduces a new Windowed Green Function (WGF) method for the numerical integral-equation solution of problems of electromagnetic scattering by obstacles in presence of dielectric or conducting half-planes. The WGF method, which…

The scaling behaviors of graphene nanoribbon (GNR) Schottky barrier field-effect transistors (SBFETs) are studied by solving the non-equilibrium Green's function (NEGF) transport equation in an atomistic basis set self-consistently with a…

A novel and effective formulation that combines the eXtended IsoGeometric Approach (XIGA) and Higher-order Shear Deformation Theory (HSDT) is proposed to study the free vibration of cracked Functionally Graded Material (FGM) plates. Herein,…

Skeleton-based Graph Convolutional Networks (GCNs) models for action recognition have achieved excellent prediction accuracy in the field. However, limited by large model and computation complexity, GCNs for action recognition like 2s-AGCN…

Building on an insight due to Avramidi, we provide a system of transport equations for determining key fundamental bi-tensors, including derivatives of the world-function, \sigma(x,x'), the square root of the Van Vleck determinant,…