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We develop a systematic framework for the spin adaptation of the cumulants of p-particle reduced density matrices (RDMs), with explicit constructions for p = 1 to 3. These spin-adapted cumulants enable rigorous treatment of both S_z and S^2…

Chemical Physics · Physics 2025-10-31 Julia Liebert , Christian Schilling , David A. Mazziotti

We propose a fast algorithm for computing the entire ridge regression regularization path in nearly linear time. Our method constructs a basis on which the solution of ridge regression can be computed instantly for any value of the…

Optimization and Control · Mathematics 2022-10-25 Yifei Wang , Mert Pilanci

We propose an efficient algorithmic framework for time domain circuit simulation using exponential integrator. This work addresses several critical issues exposed by previous matrix exponential based circuit simulation research, and makes…

Computational Engineering, Finance, and Science · Computer Science 2016-11-17 Hao Zhuang , Wenjian Yu , Ilgweon Kang , Xinan Wang , Chung-Kuan Cheng

We study the connection between block Krylov subspaces and matrix orthogonal functions. Under a no-deflation assumption, we show that polynomial block Krylov subspaces are isometrically isomorphic to spaces of matrix polynomials of bounded…

Numerical Analysis · Mathematics 2026-05-19 Michele Rinelli , Raf Vandebril

This paper presents a study of the inherent structural properties of Krylov subspaces, in particular for the self-adjoint class of operators, and how they relate with the important phenomenon of `Krylov solvability' of linear inverse…

Functional Analysis · Mathematics 2024-10-31 Noè Angelo Caruso

We compare exponential-type integrators for the numerical time-propagation of the equations of motion arising in the multi-configuration time-dependent Hartree-Fock method for the approximation of the high-dimensional multi-particle…

Numerical Analysis · Mathematics 2019-05-15 Winfried Auzinger , Alexander Grosz , Harald Hofstätter , Othmar Koch

Flexible Krylov methods are a common standpoint for inverse problems. In particular, they are used to address the challenges associated with explicit variational regularization when it goes beyond the two-norm, for example involving an…

Numerical Analysis · Mathematics 2025-10-22 Malena Sabaté Landman

Rational approximation recently emerged as an efficient numerical tool for the solution of exterior wave propagation problems. Currently, this technique is limited to wave media which are invariant along the main propagation direction. We…

Numerical Analysis · Mathematics 2022-04-01 Vladimir Druskin , Stefan Güttel , Leonid Knizhnerman

This paper investigates an efficient exponential integrator generalized multiscale finite element method for solving a class of time-evolving partial differential equations in bounded domains. The proposed method first performs the spatial…

Numerical Analysis · Mathematics 2024-07-08 Leonardo A. Poveda , Juan Galvis , Eric Chung

Fully implicit Runge-Kutta (IRK) methods have many desirable accuracy and stability properties as time integration schemes, but high-order IRK methods are not commonly used in practice with large-scale numerical PDEs because of the…

Numerical Analysis · Mathematics 2021-10-07 Ben S. Southworth , Oliver Krzysik , Will Pazner

This paper investigates the performance of a subclass of exponential integrators, specifically explicit exponential Runge--Kutta methods. It is well known that third-order methods can suffer from order reduction when applied to linearized…

Numerical Analysis · Mathematics 2024-12-30 Thi Tam Dang , Trung Hau Hoang

The paper presents two variants of a Krylov-Simplex iterative method that combines Krylov and simplex iterations to minimize the residual $r = b-Ax$. The first method minimizes $\|r\|_\infty$, i.e. maximum of the absolute residuals. The…

Numerical Analysis · Mathematics 2021-01-28 Wim Vanroose , Jeffrey Cornelis

This paper deals with linear algebra operations on Graphics Processing Unit (GPU) with complex number arithmetic using double precision. An analysis of their uses within iterative Krylov methods is presented to solve acoustic problems.…

Numerical Analysis · Mathematics 2021-12-23 Abal-Kassim Cheik Ahamed , Frederic Magoules

One well adopted power grid simulation methodology is to factorize matrix once and perform only backward forward substitution with a deliberately chosen step size along the simulation. Since the required simulation time is usually long for…

Computational Engineering, Finance, and Science · Computer Science 2013-10-16 Hao Zhuang , Shih-Hung Weng , Chung-Kuan Cheng

We propose a novel Krylov subspace method for estimating the finite impulse response (FIR) of a one-dimensional linear time-invariant systems. The method approximates the system's FIR using a kernel-based formulation combined with…

Numerical Analysis · Mathematics 2026-05-12 Fabio Matti , Martin Skovgaard Andersen , Tianshi Chen , Daniel Kressner

Two approaches for approximating the solution of large-scale Lyapunov equations are considered: the alternating direction implicit (ADI) iteration and projective methods by Krylov subspaces. A link between them is presented by showing that…

Numerical Analysis · Mathematics 2014-02-13 Thomas Wolf , Heiko K. F. Panzer

Isospectral Runge-Kutta methods are well-suited for the numerical solution of isospectral systems such as the rigid body and the Toda lattice. More recently, these integrators have been applied to geophysical fluid models, where their…

Numerical Analysis · Mathematics 2025-06-10 Clauson Carvalho da Silva , Christian Lessig , Carlos Tomei

The $\mathcal{H}_2$-optimal Model Order Reduction (MOR) is one of the most significant frameworks for reduction methodologies for linear dynamical systems. In this context, the Iterative Rational Krylov Algorithm (\IRKA) is a well…

Numerical Analysis · Mathematics 2025-08-04 Yiding Lin , Valeria Simoncini

Exponential integrators are explicit methods for solving ordinary differential equations that treat linear behaviour exactly. The stiff-order conditions for exponential integrators derived in a Banach space framework by Hochbruck and…

Computational Physics · Physics 2023-03-28 Thoma Zoto , John C. Bowman

We provide convergence rates for Krylov subspace solutions to the trust-region and cubic-regularized (nonconvex) quadratic problems. Such solutions may be efficiently computed by the Lanczos method and have long been used in practice. We…

Optimization and Control · Mathematics 2019-01-03 Yair Carmon , John C. Duchi
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