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A class of preconditioners is introduced to enhance geometry optimisation and transition state search of molecular systems. We start from the Hessian of molecular mechanical terms, decompose it and retain only its positive definite part to…

Chemical Physics · Physics 2018-04-06 Letif Mones , Gabor Csanyi , Christoph Ortner

We present a high-order, sharp-interface method for simulation of two-phase flow of real gases using implicit shock tracking. The method is based on a phase-field formulation of two-phase, compressible, inviscid flow with a trivial mixture…

Fluid Dynamics · Physics 2025-03-10 Charles Naudet , Brian Taylor , Matthew J. Zahr

Reduced-order modeling techniques, including balanced truncation and $\mathcal{H}_2$-optimal model reduction, exploit the structure of linear dynamical systems to produce models that accurately capture the dynamics. For nonlinear systems…

Optimization and Control · Mathematics 2022-01-17 Samuel E. Otto , Alberto Padovan , Clarence W. Rowley

Preconditioning techniques are crucial for enhancing the efficiency of solving large-scale linear equation systems that arise from partial differential equation (PDE) discretization. These techniques, such as Incomplete Cholesky…

Machine Learning · Computer Science 2024-12-11 Rui Li , Song Wang , Chen Wang

Pre-conditioning is a well-known concept that can significantly improve the convergence of optimization algorithms. For noise-free problems, where good pre-conditioners are not known a priori, iterative linear algebra methods offer one way…

Machine Learning · Computer Science 2019-02-21 Filip de Roos , Philipp Hennig

In this paper, we develop a new tensor-product based preconditioner for discontinuous Galerkin methods with polynomial degrees higher than those typically employed. This preconditioner uses an automatic, purely algebraic method to…

Numerical Analysis · Mathematics 2018-01-15 Will Pazner , Per-Olof Persson

The preconditioned iterative solution of large-scale saddle-point systems is of great importance in numerous application areas, many of them involving partial differential equations. Robustness with respect to certain problem parameters is…

Numerical Analysis · Mathematics 2021-04-22 Roland Herzog

Stochastic Galerkin finite element discretizations of partial differential equations with coefficients characterized by arbitrary distributions lead, in general, to fully block dense linear systems. We propose two novel strategies for…

Numerical Analysis · Mathematics 2014-07-31 Bedřich Sousedík , Roger G. Ghanem

The goal of this work is to present a fast and viable approach for the numerical solution of the high-contrast state problems arising in topology optimization. The optimization process is iterative, and the gradients are obtained by an…

Numerical Analysis · Mathematics 2020-06-25 Miguel Zambrano , Sintya Serrano , Boyan S. Lazarov , Juan Galvis

Many interesting physical problems described by systems of hyperbolic conservation laws are stiff, and thus impose a very small time-step because of the restrictive CFL stability condition. In this case, one can exploit the superior…

Numerical Analysis · Mathematics 2025-02-17 Gabriella Puppo , Matteo Semplice , Giuseppe Visconti

We have presented a fast method for solving a specific type of block four-by-four saddlepoint problem arising from the finite element discretization of the generalized 3D Stokes problem. We analyze the eigenvalue distribution and the…

Numerical Analysis · Mathematics 2024-02-22 Achraf Badahmane , Ahmed Ratnani , Hassane Sadok

We present a family of discretizations for the Variable Eddington Factor (VEF) equations that have high-order accuracy on curved meshes and efficient preconditioned iterative solvers. The VEF discretizations are combined with a high-order…

Numerical Analysis · Mathematics 2023-01-13 Samuel Olivier , Will Pazner , Terry S. Haut , Ben C. Yee

In this work we propose a novel block preconditioner, labelled Explicit Decoupling Factor Approximation (EDFA), to accelerate the convergence of Krylov subspace solvers used to address the sequence of non-symmetric systems of linear…

Numerical Analysis · Mathematics 2021-07-07 Stefano Nardean , Massimiliano Ferronato , Ahmad S. Abushaikha

This work is concerned with the convergence of the iterative solution for the Stokes flow, discretized with the weak Galerkin finite element method and preconditioned using inexact block Schur complement preconditioning. The resulting…

Numerical Analysis · Mathematics 2024-09-26 Weizhang Huang , Zhuoran Wang

Context. Numerical solutions to transfer problems of polarized radiation in solar and stellar atmospheres commonly rely on stationary iterative methods, which often perform poorly when applied to large problems. In recent times, stationary…

Numerical Analysis · Mathematics 2021-12-08 Pietro Benedusi , Gioele Janett , Luca Belluzzi , Rolf Krause

The solution of a sparse system of linear equations is ubiquitous in scientific applications. Iterative methods, such as the Preconditioned Conjugate Gradient method (PCG), are normally chosen over direct methods due to memory and…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-03-04 Joshua Dennis Booth , Hongyang Sun , Trevor Garnett

Poroelasticity problems play an important role in various engineering, geophysical, and biological applications. Their full discretization results in a large-scale saddle-point system at each time step that is becoming singular for locking…

Numerical Analysis · Mathematics 2025-06-27 Weizhang Huang , Zhuoran Wang

We present optimal preconditioners for a recently introduced hybridized discontinuous Galerkin finite element discretization of the Stokes equations. Typical of hybridized discontinuous Galerkin methods, the method has degrees-of-freedom…

Numerical Analysis · Mathematics 2023-07-06 Sander Rhebergen , Garth N. Wells

This paper studies and analyzes a preconditioned Krylov solver for Helmholtz problems that are formulated with absorbing boundary layers based on complex coordinate stretching. The preconditioner problem is a Helmholtz problem where not…

Numerical Analysis · Computer Science 2010-08-19 Bram Reps , Wim Vanroose , Hisham bin Zubair

In this paper, we design preconditioners for the matrix-free solution of high-order continuous and discontinuous Galerkin discretizations of elliptic problems based on FEM-SEM equivalence and additive Schwarz methods. The high-order…

Numerical Analysis · Mathematics 2021-03-11 Will Pazner