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We propose a novel algorithm based on inexact GMRES methods for linear response calculations in density functional theory. Such calculations require iteratively solving a nested linear problem $\mathcal{E} \delta\rho = b$ to obtain the…

Numerical Analysis · Mathematics 2025-10-30 Michael F. Herbst , Bonan Sun

Pipelined Krylov subspace methods (also referred to as communication-hiding methods) have been proposed in the literature as a scalable alternative to classic Krylov subspace algorithms for iteratively computing the solution to a large…

Numerical Analysis · Computer Science 2019-05-16 Siegfried Cools , Jeffrey Cornelis , Wim Vanroose

Communication, i.e., data movement, is a critical bottleneck for the performance of classical Krylov subspace method solvers on modern computer architectures. Variants of these methods which avoid communication have been introduced, which,…

Numerical Analysis · Mathematics 2025-06-17 Erin Carson , Yuxin Ma

This paper gives an analysis and an evaluation of linear algebra operations on Graphics Processing Unit (GPU) with complex number arithmetics with double precision. Knowing the performance of these operations, iterative Krylov methods are…

Numerical Analysis · Mathematics 2021-12-14 Abal-Kassim Cheik Ahamed , Frederic Magoules

Designing efficient and scalable sparse linear algebra kernels on modern multi-GPU based HPC systems is a daunting task due to significant irregular memory references and workload imbalance across the GPUs. This is particularly the case for…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-12-15 Chenhao Xie , Jieyang Chen , Jesun S Firoz , Jiajia Li , Shuaiwen Leon Song , Kevin Barker , Mark Raugas , Ang Li

In recent years, GPU-accelerated optimization solvers based on second-order methods (e.g., interior-point methods) have gained momentum with the advent of mature and efficient GPU-accelerated direct sparse linear solvers, such as cuDSS.…

Optimization and Control · Mathematics 2025-11-25 Alexis Montoison , François Pacaud , Sungho Shin , Mihai Anitescu

Communication-avoiding Krylov methods require solving small dense Gram systems at each outer iteration. We present a low-synchronization approach based on Forward Gauss--Seidel (FGS), which exploits the structure of Gram matrices arising…

Numerical Analysis · Mathematics 2025-12-11 Stephen Thomas , Pasqua D'Ambra

Gradient compression is a recent and increasingly popular technique for reducing the communication cost in distributed training of large-scale machine learning models. In this work we focus on developing efficient distributed methods that…

Optimization and Control · Mathematics 2020-10-02 Xun Qian , Peter Richtárik , Tong Zhang

We develop a randomized extension of tensor Krylov subspace methods based on the Einstein product for solving large-scale multilinear systems arising in image and video restoration. The classical tensor global GMRES method relies on…

Numerical Analysis · Mathematics 2026-03-03 Achraf Badahmane

A key consideration in the development of numerical schemes for time-dependent partial differential equations (PDEs) is the ability to preserve certain properties of the continuum solution, such as associated conservation laws or other…

Numerical Analysis · Mathematics 2023-06-21 James Jackaman , Scott MacLachlan

In this paper, we consider an efficient iterative approach to the solution of the discrete Helmholtz equation with Dirichlet, Neumann and Sommerfeld-like boundary conditions based on a compact sixth order approximation scheme and…

Numerical Analysis · Mathematics 2012-12-07 Yury Gryazin

Sparse General Matrix Multiply (SpGEMM) is key for various High-Performance Computing (HPC) applications such as genomics and graph analytics. Using the semiring abstraction, many algorithms can be formulated as SpGEMM, allowing…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-12-23 Thomas McFarland , Julian Bellavita , Giulia Guidi

Krylov subspace methods are widely known as efficient algebraic methods for solving large scale linear systems. However, on massively parallel hardware the performance of these methods is typically limited by communication latency rather…

Numerical Analysis · Computer Science 2018-08-22 Siegfried Cools

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,…

Numerical Analysis · Mathematics 2023-10-10 Malena Sabate Landman , Jiahua Jiang , Jianru Zhang , Wuwei Ren

We present cuRAMSES, a suite of advanced domain decomposition strategies and algorithmic optimizations for the ramses adaptive mesh refinement (AMR) code, designed to overcome the communication, memory, and solver bottlenecks inherent in…

Astrophysics of Galaxies · Physics 2026-04-08 Juhan Kim

Most existing 3D Gaussian Splatting (3DGS) compression schemes focus on producing compact 3DGS representation via implicit data embedding. They have long coding times and highly customized data format, making it difficult for widespread…

Computer Vision and Pattern Recognition · Computer Science 2025-05-06 Qi Yang , Le Yang , Geert Van Der Auwera , Zhu Li

Linear solvers are major computational bottlenecks in a wide range of decision support and optimization computations. The challenges become even more pronounced on heterogeneous hardware, where traditional sparse numerical linear algebra…

Computational Engineering, Finance, and Science · Computer Science 2024-01-26 Kasia Świrydowicz , Nicholson Koukpaizan , Maksudul Alam , Shaked Regev , Michael Saunders , Slaven Peleš

We present a new Krylov subspace recycling method for solving a linear system of equations, or a sequence of slowly changing linear systems. Our approach is to reduce the computational overhead of recycling techniques while still benefiting…

Numerical Analysis · Mathematics 2024-09-30 Liam Burke , Stefan Güttel , Kirk M. Soodhalter

Subspace recycling iterative methods and other subspace augmentation schemes are a successful extension to Krylov subspace methods in which a Krylov subspace is augmented with a fixed subspace spanned by vectors deemed to be helpful in…

Numerical Analysis · Mathematics 2022-02-11 Kirk M. Soodhalter

This article introduces randomized block Gram-Schmidt process (RBGS) for QR decomposition. RBGS extends the single-vector randomized Gram-Schmidt (RGS) algorithm and inherits its key characteristics such as being more efficient and having…

Numerical Analysis · Mathematics 2025-02-25 Oleg Balabanov , Laura Grigori