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The geometric high-order regularization methods such as mean curvature and Gaussian curvature, have been intensively studied during the last decades due to their abilities in preserving geometric properties including image edges, corners,…
In order to extend the density-matrix renormalization-group (DMRG) method to two-dimensional systems, we formulate two alternative methods to prepare the initial states. We find that the number of states that is needed for accurate energy…
Algebraic multigrid (AMG) methods are among the most efficient solvers for linear systems of equations and they are widely used for the solution of problems stemming from the discretization of Partial Differential Equations (PDEs). The most…
A new density matrix renormalisation group (DMRG) approach is presented for quantum systems of two spatial dimensions. In particular, it is shown that it is possible to create a multi-chain-type 2D DMRG approach which utilises previously…
We implement an Augmented Lagrangian method to minimize a constrained least-squares cost function designed to find polyadic decompositions of the matrix multiplication tensor. We use this method to obtain new discrete decompositions and…
We generalize the spectral sum rule preserving density matrix numerical renormalization group (DM-NRG) method in such a way that it can make use of an arbitrary number of not necessarily Abelian, local symmetries present in the quantum…
Recovering a low rank matrix from a subset of its entries, some of which may be corrupted, is known as the robust matrix completion (RMC) problem. Existing RMC methods have several limitations: they require a relatively large number of…
We study local generalized additive decompositions (GADs) of homogeneous polynomials and their associated point schemes through their local inverse systems. We prove that their construction and algebraic properties are independent of the…
The estimation of high dimensional precision matrices has been a central topic in statistical learning. However, as the number of parameters scales quadratically with the dimension $p$, many state-of-the-art methods do not scale well to…
Variational minimization of the ground-state energy as a function of the two-electron reduced density matrix (2-RDM), constrained by necessary $N$-representability conditions, provides a polynomial-scaling approach to studying strongly…
In the approaches based on matrix-product states (MPSs), such as the density-matrix renormalization group (DMRG) method, the ordering of the sites crucially affects the computational accuracy. We investigate the performance of an algorithm…
We present several algorithms aimed at constructing sparse and structured sparse (row-sparse) generalized inverses, with application to the efficient computation of least-squares solutions, for inconsistent systems of linear equations, in…
We propose a hyperpower iteration for numerical computation of the outer generalized inverse of a matrix which achieves the 18th order of convergence by using only seven matrix multiplication per iteration loop. This is the record high…
The Density Matrix Renormalization Group (DMRG) has become a powerful numerical method that can be applied to low-dimensional strongly correlated fermionic and bosonic systems. It allows for a very precise calculation of static, dynamic and…
Anisotropic Tensor Renormalization Group (ATRG) is a powerful algorithm for four-dimensional tensor network calculations. However, the larger bond dimensions are known to be difficult to achieve in practice due to the higher computational…
This paper aims to present a fairly accessible generalization of several symmetric Gauss-Seidel decomposition based multi-block proximal alternating direction methods of multipliers (ADMMs) for convex composite optimization problems. The…
Polynomial optimization problems (POPs) can be reformulated as geometric convex conic programs, as shown by Kim, Kojima, and Toh (SIOPT 30:1251-1273, 2020), though such formulations remain NP-hard. In this work, we prove that several…
In some cases the state of a quantum system with a large number of subsystems can be approximated efficiently by the density matrix renormalization group, which makes use of redundancies in the description of the state. Here we show that…
Shared-memory parallelization (SMP) strategies for density matrix renormalization group (DMRG) algorithms enable the treatment of complex systems in solid state physics. We present two different approaches by which parallelization of the…
Kernel methods such as kernel ridge regression and Gaussian process regressions with Matern type kernels have been increasingly used, in particular, to fit potential energy surfaces (PES) and density functionals, and for materials…