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The solution of linear inverse problems when the unknown parameters outnumber data requires addressing the problem of a nontrivial null space. After restating the problem within the Bayesian framework, a priori information about the unknown…

Numerical Analysis · Mathematics 2015-03-25 Daniela Calvetti , Francesca Pitolli , Erkki Somersalo , Barbara Vantaggi

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

One of the widespread solutions for non-rigid tracking has a nested-loop structure: with Gauss-Newton to minimize a tracking objective in the outer loop, and Preconditioned Conjugate Gradient (PCG) to solve a sparse linear system in the…

Computer Vision and Pattern Recognition · Computer Science 2020-03-30 Yang Li , Aljaž Božič , Tianwei Zhang , Yanli Ji , Tatsuya Harada , Matthias Nießner

The Bayesian conjugate gradient method offers probabilistic solutions to linear systems but suffers from poor calibration, limiting its utility in uncertainty quantification tasks. Recent approaches leveraging postiterations to construct…

Machine Learning · Statistics 2025-08-13 Niall Vyas , Disha Hegde , Jon Cockayne

We study preconditioned gradient-based optimization methods where the preconditioning matrix has block-diagonal form. Such a structural constraint comes with the advantage that the update computation is block-separable and can be…

Machine Learning · Computer Science 2020-12-08 Celestine Mendler-Dünner , Aurelien Lucchi

Stochastic Optimization is a cornerstone of operations research, providing a framework to solve optimization problems under uncertainty. Despite the development of numerous algorithms to tackle these problems, several persistent challenges…

Optimization and Control · Mathematics 2025-03-28 Di Zhang , Suvrajeet Sen

Prescribed-time convergence mechanism has become a prominent research focus in the current field of optimization and control due to its ability to precisely control the target completion time. The recently arisen prescribed-time algorithms…

Optimization and Control · Mathematics 2023-10-31 Shuaiyu Zhou , Yiheng Wei , Jinde Cao , Yang Liu

We develop a novel hybrid method for Bayesian network structure learning called partitioned hybrid greedy search (pHGS), composed of three distinct yet compatible new algorithms: Partitioned PC (pPC) accelerates skeleton learning via a…

Machine Learning · Statistics 2021-03-24 Jireh Huang , Qing Zhou

The Preconditioned Conjugate Gradient (PCG) method is widely used for solving linear systems of equations with sparse matrices. A recent version of PCG, Pipelined PCG, eliminates the dependencies in the computations of the PCG algorithm so…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-05-14 Manasi Tiwari , Sathish Vadhiyar

An implementation of GMRES with multiple preconditioners (MPGMRES) is proposed for solving shifted linear systems with shift-and-invert preconditioners. With this type of preconditioner, the Krylov subspace can be built without requiring…

Numerical Analysis · Mathematics 2016-03-31 Tania Bakhos , Peter Kitanidis , Scott Ladenheim , Arvind K. Saibaba , Daniel Szyld

We present a novel preconditioning technique for proximal optimization methods that relies on graph algorithms to construct effective preconditioners. Such combinatorial preconditioners arise from partitioning the graph into forests. We…

Optimization and Control · Mathematics 2018-02-22 Thomas Möllenhoff , Zhenzhang Ye , Tao Wu , Daniel Cremers

Our goal in this paper is to clarify the relationship between the block Lanczos and the block conjugate gradient (BCG) algorithms. Under the full rank assumption for the block vectors, we show the one-to-one correspondence between the…

Numerical Analysis · Mathematics 2025-02-25 Petr Tichý , Gérard Meurant , Dorota Šimonová

The Bayesian Conjugate Gradient method (BayesCG) is a probabilistic generalization of the Conjugate Gradient method (CG) for solving linear systems with real symmetric positive definite coefficient matrices. Our CG-based implementation of…

Numerical Analysis · Mathematics 2022-10-04 Tim W. Reid , Ilse C. F. Ipsen , Jon Cockayne , Chris J. Oates

Despite hundreds of papers on preconditioned linear systems of equations, there remains a significant lack of comprehensive performance benchmarks comparing various preconditioners for solving symmetric positive definite (SPD) systems. In…

Numerical Analysis · Mathematics 2025-05-28 Marc A. Tunnell , David F. Gleich

Stochastic gradient descent (SGD) exhibits strong algorithmic regularization effects in practice and plays an important role in the generalization of modern machine learning. However, prior research has revealed instances where the…

Machine Learning · Computer Science 2024-05-28 Junwei Su , Difan Zou , Chuan Wu

Gaussian process hyperparameter optimization requires linear solves with, and log-determinants of, large kernel matrices. Iterative numerical techniques are becoming popular to scale to larger datasets, relying on the conjugate gradient…

Machine Learning · Computer Science 2022-06-22 Jonathan Wenger , Geoff Pleiss , Philipp Hennig , John P. Cunningham , Jacob R. Gardner

We present two minimum residual methods for solving sequences of shifted linear systems, the right-preconditioned shifted GMRES and shifted recycled GMRES algorithms which use a seed projection strategy often employed to solve multiple…

Numerical Analysis · Mathematics 2016-02-04 Kirk M. Soodhalter

We analyze the convergence of the Conjugate Gradient (CG) method in exact arithmetic, when the coefficient matrix $A$ is symmetric positive semidefinite and the system is consistent. To do so, we diagonalize $A$ and decompose the algorithm…

Numerical Analysis · Mathematics 2020-05-12 Ken Hayami

In this paper we are concerned with the solution of Compressed Sensing (CS) problems where the signals to be recovered are sparse in coherent and redundant dictionaries. We extend a primal-dual Newton Conjugate Gradients (pdNCG) method for…

Optimization and Control · Mathematics 2015-07-03 Ioannis Dassios , Kimon Fountoulakis , Jacek Gondzio

In this paper, we propose a descent method for composite optimization problems with linear operators. Specifically, we first design a structure-exploiting preconditioner tailored to the linear operator so that the resulting preconditioned…

Optimization and Control · Mathematics 2026-03-20 Jian Chen , Xinmin Yang