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A quasi-Newton method with cubic regularization is designed for solving Riemannian unconstrained nonconvex optimization problems. The proposed algorithm is fully adaptive with at most ${\cal O} (\epsilon_g^{-3/2})$ iterations to achieve a…
The Coherent Ising Machine (CIM) is a quantum network of optical parametric oscillators (OPOs) intended to find ground states of the Ising model. This is an NP-hard problem, related to several important minimization problems, including the…
Quantum graphical models (QGMs) extend the classical framework for reasoning about uncertainty by incorporating the quantum mechanical view of probability. Prior work on QGMs has focused on hidden quantum Markov models (HQMMs), which can be…
Algebraic multigrid (AMG) is often an effective solver for symmetric positive definite (SPD) linear systems resulting from the discretization of general elliptic PDEs, or the spatial discretization of parabolic PDEs. However, convergence…
We present the Finite Element Method (FEM) for the numerical solution of the multidimensional coefficient inverse problem (MCIP) in two dimensions. This method is used for explicit reconstruction of the coefficient in the hyperbolic…
The geometric multigrid method (GMG) is one of the most efficient solving techniques for discrete algebraic systems arising from elliptic partial differential equations. GMG utilizes a hierarchy of grids or discretizations and reduces the…
This paper is to give an overview of AMG methods for solving large scale systems of equations such as those from the discretization of partial differential equations. AMG is often understood as the acronym of "Algebraic Multi-Grid", but it…
This article presents a new and efficient alternative to well established algorithms for molecular geometry optimization. The new approach exploits the approximate decoupling of molecular energetics in a curvilinear internal coordinate…
The natural gradient method is widely used in statistical optimization, but its standard formulation assumes a Euclidean parameter space. This paper proposes an inversion-free stochastic natural gradient method for probability distributions…
We study some graded geometric constructions appearing naturally in the context of gauge theories. Inspired by a known relation of gauging with equivariant cohomology we generalize the latter notion to the case of arbitrary Q-manifolds…
In this article we develop a numerical scheme to deal with interfaces between touching numerical grids when solving Schr\"o{}dinger equation. In order to pass the information among grids we use the values of the fields only at the contact…
Coarse-grained modeling and efficient computer simulations are critical to the study of complex molecular processes with many degrees of freedom and multiple spatiotemporal scales. Variational implicit-solvent model (VISM) for biomolecular…
We describe a new, generally applicable strategy for the systematic construction of basis invariants (BIs). Our method allows one to count the number of mutually independent BIs and gives controlled access to the interrelations (syzygies)…
Masking information into quantum correlations is a cornerstone of many quantum information applications. While there exist the no-hiding and no-masking theorems, approximate quantum information masking (AQIM) offers a promising means of…
A previously developed quantum reduced-order model is revised and applied, together with the domain decomposition, to develop the quantum element method (QEM), a methodology for fast and accurate simulation of quantum eigenvalue problems.…
Mixed atomistic and continuum methods offer the possibility of carrying out simulations of material properties at both larger length scales and longer times than direct atomistic calculations. The quasi-continuum method links atomistic and…
We consider direct policy optimization for the linear-quadratic Gaussian (LQG) setting. Over the past few years, it has been recognized that the landscape of dynamic output-feedback controllers of relevance to LQG has an intricate geometry,…
Trimming techniques are efficient ways to generate complex geometries in Computer-Aided Design(CAD). In this paper, an improved isogeometric analysis(IGA) method for trimmed geometries is proposed. We will show that the proposed method…
In this communication the advantages and drawbacks of the isogeometric analysis (IGA) are reviewed in the context of electromagnetic simulations. IGA extends the set of polynomial basis functions, commonly employed by the classical Finite…
Momentum-based acceleration of stochastic gradient descent (SGD) is widely used in deep learning. We propose the quasi-hyperbolic momentum algorithm (QHM) as an extremely simple alteration of momentum SGD, averaging a plain SGD step with a…