Related papers: Efficient Krylov methods for linear response in pl…
We propose a geometry-aware strategy for training neural preconditioners tailored to parametrized linear systems arising from the discretization of mixed-dimensional partial differential equations (PDEs). These systems are typically…
This paper introduces new solvers for efficiently computing solutions to large-scale inverse problems with group sparsity regularization, including both non-overlapping and overlapping groups. Group sparsity regularization refers to a type…
We consider numerical schemes for computing the linear response of steady-state averages of stochastic dynamics with respect to a perturbation of the drift part of the stochastic differential equation. The schemes are based on Girsanov's…
We discuss our new implementation of the Real-space Electronic Structure method for studying the atomic and electronic structure of infinite periodic as well as finite systems, based on density functional theory. This improved version which…
In this paper we develop flexible Krylov methods for efficiently computing regularized solutions to large-scale linear inverse problems with an $\ell_2$ fit-to-data term and an $\ell_p$ penalization term, for $p\geq 1$. First we approximate…
We consider the approximation of $B^T (A+sI)^{-1} B$ for large s.p.d. $A\in\mathbb{R}^{n\times n}$ with dense spectrum and $B\in\mathbb{R}^{n\times p}$, $p\ll n$. We target the computations of Multiple-Input Multiple-Output (MIMO) transfer…
Nonlinearities in piezoelectric systems can arise from internal factors such as nonlinear constitutive laws or external factors like realizations of boundary conditions. It can be difficult or even impossible to derive detailed models from…
To integrate large systems of nonlinear differential equations in time, we consider a variant of nonlinear waveform relaxation (also known as dynamic iteration or Picard-Lindel\"of iteration), where at each iteration a linear inhomogeneous…
Finite element simulations have been used to solve various partial differential equations (PDEs) that model physical, chemical, and biological phenomena. The resulting discretized solutions to PDEs often do not satisfy requisite physical…
Nesterov's well-known scheme for accelerating gradient descent in convex optimization problems is adapted to accelerating stationary iterative solvers for linear systems. Compared with classical Krylov subspace acceleration methods, the…
We present iDARR, a scalable iterative Data-Adaptive RKHS Regularization method, for solving ill-posed linear inverse problems. The method searches for solutions in subspaces where the true solution can be identified, with the data-adaptive…
In this paper, we consider effective discretization strategies and iterative solvers for nonlinear PDE-constrained optimization models for pattern evolution within biological processes. Upon a Sequential Quadratic Programming linearization…
Starting from the observation that one of the most successful methods for solving the Kohn-Sham equations for periodic systems -- the plane-wave method -- is a spectral method based on eigenfunction expansion, we formulate a spectral method…
In this paper we present a novel extended Krylov subspace reduced-order modeling technique to efficiently simulate time- and frequency-domain wavefields in open complex structures. To simulate the extension to infinity, we use an optimal…
We review our recently developed methods for large-scale electronic structure calculations, both in one-electron theory and many-electron theory. The method are based on the density matrix representation, together with the Wannier state…
In this work we present a rational Krylov subspace method for solving real large-scale polynomial eigenvalue problems with T-even (that is, symmetric/skew-symmetric) structure. Our method is based on the Even-IRA algorithm. To preserve the…
Sparse linear system solvers ($Ax=b$) are critical computational kernels in Electronic Design Automation (EDA), underpinning vital simulations for modern IC and system design. Applications like power integrity verification and…
This work derives exact solutions to the problem of interacting particle density evolution in relativistic and quasi-relativistic approximations for electromagnetic and gravitational interactions. Two types of radial symmetry for the…
We proposed a novel dense line spectrum super-resolution algorithm, the DMRA, that leverages dynamical multi-resolution of atoms technique to address the limitation of traditional compressed sensing methods when handling dense point-source…
This paper presents two new augmented flexible (AF)-Krylov subspace methods, AF-GMRES and AF-LSQR, to compute solutions of large-scale linear discrete ill-posed problems that can be modeled as the sum of two independent random variables,…