Related papers: Modifying AMG coarse spaces with weak approximatio…
Background: Extensions of single-reference (SR) energy-density-functionals (EDFs) to multi-reference (MR) applications involve using the generalized Wick theorem (GWT), which leads to singular energy kernels that cannot be properly…
We introduce a data-driven framework for approximating the convex set of $N$-representable two-electron reduced density matrices (2-RDMs). Traditional approaches characterize this set through linear matrix inequalities that define its…
This paper considers stochastic optimization problems with weakly convex objective and constraint functions. We propose Prox-PEP, a proximal method equipped with quadratic subproblems. To handle nonlinear equality constraints, we employ an…
Physics-informed neural networks (PINNs), owing to their mesh-free nature, offer a powerful approach for solving high-dimensional partial differential equations (PDEs) in complex geometries, including irregular domains. This capability…
Weighted low rank approximation is a fundamental problem in numerical linear algebra, and it has many applications in machine learning. Given a matrix $M \in \mathbb{R}^{n \times n}$, a non-negative weight matrix $W \in \mathbb{R}_{\geq…
The advent of robust, reliable and accurate higher order Godunov schemes for many of the systems of equations of interest in computational astrophysics has made it important to understand how to solve them in multi-scale fashion. This is so…
Multivariate global polynomial approximations - such as polynomial chaos or stochastic collocation methods - are now in widespread use for sensitivity analysis and uncertainty quantification. The pseudospectral variety of these methods uses…
Sparse superposition codes, also called sparse regression codes (SPARCs), are a class of codes for efficient communication over the AWGN channel at rates approaching the channel capacity. In a standard SPARC, codewords are sparse linear…
In co-annihilation scenarios, the weakly interacting dark matter particle (WIMP) is close in mass to another particle that can decay into the WIMP. As a result, both particles freeze out at roughly the same time in the early universe, and…
Focusing on the well motivated aperture mass statistics $\Map$, we study the possibility of constraining cosmological parameters using future space based SNAP class weak lensing missions. Using completely analytical results we construct the…
We investigate the proximal map for the weighted mean absolute error function. An algorithm for its efficient and vectorized evaluation is presented. As a demonstration, this algorithm is applied as part of a checkerboard algorithm to solve…
We present a method for electronic structure calculations that retains all of the advantages of real space and addresses the inherent inefficiency of a regular grid, which has equal precision everywhere. The computations are carried out on…
In this paper, we develop a new parallel auxiliary grid algebraic multigrid (AMG) method to leverage the power of graphic processing units (GPUs). In the construction of the hierarchical coarse grid, we use a simple and fixed coarsening…
The reduced basis method is used to construct a "universal" basis of Dirac orbitals that may be applicable throughout the nuclear chart to calibrate covariant energy density functionals. Relative to our earlier work using the…
Discrete energy minimization is widely-used in computer vision and machine learning for problems such as MAP inference in graphical models. The problem, in general, is notoriously intractable, and finding the global optimal solution is…
In an effort to study the applicability of adaptive mesh refinement (AMR) techniques to atmospheric models an interpolation-based spectral element shallow water model on a cubed-sphere grid is compared to a block-structured finite volume…
Recently, asynchronous coarse-space correction has been achieved within both the overlapping Schwarz and the primal Schur frameworks. Both additive and multiplicative corrections have been discussed. In this paper, we address some…
We study a class of almost diagonal matrices compatible with the mixed-norm $\alpha$-modulation spaces $M_{\vec{p},q}^{s,\alpha}(\mathbb{R}^n)$, $\alpha\in [0,1]$, introduced recently by Cleanthous and Georgiadis [Trans.\ Amer.\ Math.\…
Certain energy-conservative Galerkin discretizations for nonlinear dispersive wave equations have revealed an unusual convergence behavior: optimal convergence is attained when continuous Lagrange finite element spaces of odd polynomial…
The global many-electron wave function overlap matrix accounts for all effects beyond the Born-Oppenheimer approximation in the discrete variable local diabatic representation, a numerically exact framework for modeling nonadiabatic conical…