Reconstructing Kernel-Based Machine Learning Force Fields with Superlinear Convergence

S Blücher, KR Müller, S Chmiela - Journal of Chemical Theory …, 2023 - ACS Publications
Kernel machines have sustained continuous progress in the field of quantum chemistry. In
particular, they have proven to be successful in the low-data regime of force field …

A robust algebraic multilevel domain decomposition preconditioner for sparse symmetric positive definite matrices

H Al Daas, P Jolivet - SIAM Journal on Scientific Computing, 2022 - SIAM
Domain decomposition (DD) methods are widely used as preconditioner techniques. Their
effectiveness relies on the choice of a locally constructed coarse space. Thus far, this …

Physical human locomotion prediction using manifold regularization

M Javeed, M Shorfuzzaman, N Alsufyani… - PeerJ Computer …, 2022 - peerj.com
Human locomotion is an imperative topic to be conversed among researchers. Predicting
the human motion using multiple techniques and algorithms has always been a motivating …

Preconditioning strategies for stochastic elliptic partial differential equations

N Venkovic - 2023 - theses.hal.science
We are interested in the Monte Carlo (MC) sampling of discretized elliptic partial differential
equations (PDEs) with random variable coefficients. The dominant computational load of …

parGeMSLR: A parallel multilevel Schur complement low-rank preconditioning and solution package for general sparse matrices

T Xu, V Kalantzis, R Li, Y Xi, G Dillon, Y Saad - Parallel Computing, 2022 - Elsevier
This paper discusses parGeMSLR, a C++/MPI software library for the solution of sparse
systems of linear algebraic equations via preconditioned Krylov subspace methods in …

Single-pass Nyström approximation in mixed precision

E Carson, I Daužickaitė - SIAM Journal on Matrix Analysis and Applications, 2024 - SIAM
Low-rank matrix approximations appear in a number of scientific computing applications. We
consider the Nyström method for approximating a positive semidefinite matrix. In the case …

A low-rank update for relaxed Schur complement preconditioners in fluid flow problems

RS Beddig, J Behrens, S Le Borne - Numerical Algorithms, 2023 - Springer
The simulation of fluid dynamic problems often involves solving large-scale saddle-point
systems. Their numerical solution with iterative solvers requires efficient preconditioners …

Low-rank update of preconditioners for saddle-point systems in fluid flow problems

RS Beddig - 2024 - tore.tuhh.de
We develop and analyze low-rank updates for preconditioners that are based on a
(randomized) low-rank approximation of the error between the identity matrix and the …

Parallel Schur Complement Algorithms for the Solution of Sparse Linear Systems and Eigenvalue Problems

T Xu - 2023 - search.proquest.com
Large sparse matrices arise in many applications in science and engineering, where the
solution of a linear system or an eigenvalue problem is needed. While direct methods are …

[PDF][PDF] DE L'UNIVERSITE DE BORDEAUX

N VENKOVIC - 2023 - researchgate.net
We are interested in the Monte Carlo (MC) sampling of discretized elliptic partial differential
equations (PDEs) with random variable coefficients. The dominant computational load of …