We consider perturbation bounds and condition numbers for a complex indefinite linear algebraic system, which is of interest in science and engineering. Some existing results are improved, and illustrative numerical examples are provided.

A generalized preconditioned modified Hermitian and skew-Hermitian splitting (GPMHSS) real-valued iteration method is proposed for a class of complex symmetric indefinite linear systems. Convergence theory is established and the spectral properties of an associated preconditioned matrix are analyzed. We also give several variants of the GPMHSS preconditioner and consider the spectral properties of the preconditioned matrices. Numerical examples illustrate the effectiveness of our proposed method.

High-dimensional two-sided space fractional diffusion equations with variable diffusion coefficients are discussed. The problems can be solved by an implicit finite difference scheme that is proven to be uniquely solvable, unconditionally stable and first-order convergent in the infinity norm. A nonsingular multilevel circulant pre-conditoner is proposed to accelerate the convergence rate of the Krylov subspace linear system solver efficiently. The preconditoned matrix for fast convergence is a sum of the identity matrix, a matrix with small norm, and a matrix with low rank under certain conditions. Moreover, the preconditioner is practical, with an O(N logN) operation cost and O(N) memory requirement. Illustrative numerical examples are also presented.

In order to solve the partial differential equations that arise in the Hartree- Fock theory for diatomicmolecules and inmolecular theories that include electron correlation, one needs efficient methods for solving partial differential equations. In this article, we present numerical results for a two-variablemodel problem of the kind that arises when one solves the Hartree-Fock equations for a diatomic molecule. We compare results obtained using the spline collocation and domain decomposition methods with third-order Hermite splines to results obtained using the more-established finite difference approximation and the successive over-relaxation method. The theory of domain decomposition presented earlier is extended to treat regions that are divided into an arbitrary number of subregions by families of lines parallel to the two coordinate axes. While the domain decomposition method and the finite difference approach both yield results at the micro-Hartree level, the finite difference approach with a 9- point difference formula produces the same level of accuracy with fewer points. The domain decompositionmethod has the strength that it can be applied to problemswith a large number of grid points. The time required to solve a partial differential equation for a fine grid with a large number of points goes down as the number of partitions increases. The reason for this is that the length of time necessary for solving a set of linear equations in each subregion is very much dependent upon the number of equations. Even though a finer partition of the region has more subregions, the time for solving the set of linear equations in each subregion is very much smaller. This feature of the theory may well prove to be a decisive factor for solving the two-electron pair equation, which – for a diatomic molecule – involves solving partial differential equations with five independent variables. The domain decomposition theory also makes it possible to study complex molecules by dividing them into smaller fragments that are calculated independently. Since the domain decomposition approachmakes it possible to decompose the variable space into separate regions in which the equations are solved independently, this approach is well-suited to parallel computing.

Generalised centrohermitian and skew-centrohermitian matrices arise in a variety of applications in different fields. Based on the vibrating structure equation where M, D, G, K are given matrices with appropriate sizes and x is a column vector, we design a new vibrating structure mode. This mode can be discretised as the left and right inverse eigenvalue problem of a certain structured matrix. When the structured matrix is generalised centrohermitian, we discuss its left and right inverse eigenvalue problem with a submatrix constraint, and then get necessary and sufficient conditions such that the problem is solvable. A general representation of the solutions is presented, and an analytical expression for the solution of the optimal approximation problem in the Frobenius norm is obtained. Finally, the corresponding algorithm to compute the unique optimal approximate solution is presented, and we provide an illustrative numerical example.

A novel generalised successive overrelaxation (GSOR) method for solving generalised saddle point problems is proposed, based on splitting the coefficient matrix. The proposed method is shown to converge under suitable restrictions on the iteration parameters, and we present some illustrative numerical results.

In this paper, we introduce and study a new method for solving inverse source problems, through a working model that arises in bioluminescence tomography (BLT). In the BLT problem, one constructs quantitatively the bioluminescence source distribution inside a small animal from optical signals detected on the animal's body surface. The BLT problem possesses strong ill-posedness and often the Tikhonov regularization is used to obtain stable approximate solutions. In conventional Tikhonov regularization, it is crucial to choose a proper regularization parameter for trade off between the accuracy and stability of approximate solutions. The new method is based on a combination of the boundary condition and the boundary measurement in a parameter-dependent single complex Robin boundary condition, followed by the Tikhonov regularization. By properly adjusting the parameter in the Robin boundary condition, we achieve two important properties for our new method: first, the regularized solutions are uniformly stable with respect to the regularization parameter so that the regularization parameter can be chosen based solely on the consideration of the solution accuracy; second, the convergence order of the regularized solutions reaches one with respect to the noise level. Then, the finite element method is used to compute numerical solutions and a new finite element error estimate is derived for discrete solutions. These results improve related results found in the existing literature. Several numerical examples are provided to illustrate the theoretical results.

In this paper we consider PDE-constrained optimization problems which incorporate an H1 regularization control term. We focus on a time-dependent PDE, and consider both distributed and boundary control. The problems we consider include bound constraints on the state, and we use a Moreau-Yosida penalty function to handle this. We propose Krylov solvers and Schur complement preconditioning strategies for the different problems and illustrate their performance with numerical examples.

The paper aims to develop an effective preconditioner and conduct the convergence analysis of the corresponding preconditioned GMRES for the solution of discrete problems originating from multi-group radiation diffusion equations. We firstly investigate the performances of the most widely used preconditioners (ILU(k) and AMG) and their combinations (Bco and Bco), and provide drawbacks on their feasibilities. Secondly, we reveal the underlying complementarity of ILU(k) and AMG by analyzing the features suitable for AMG using more detailed measurements on multiscale nature of matrices and the effect of ILU(k) on multiscale nature. Moreover, we present an adaptive combined preconditioner Bcoα involving an improved ILU(0) along with its convergence constraints. Numerical results demonstrate that Bcoα-GMRES holds the best robustness and efficiency. At last, we analyze the convergence of GMRES with combined preconditioning which not only provides a persuasive support for our proposed algorithms, but also updates the existing estimation theory on condition numbers of combined preconditioned systems.

For any given matrix A ∈ℂnxn, a preconditioner tU(A) called thesuperoptimal preconditioner was proposed in 1992 by Tyrtyshnikov. It has beenshown that tU(A) is an efficient preconditioner forsolving various structured systems, for instance, Toeplitz-like systems. In thispaper, we construct the superoptimal preconditioners for different functions ofmatrices. Let f be a function of matrices from ℂnxn to ℂnxn. For any A ∈ ℂ nxn, one may construct two superoptimal preconditioners for f(A):tU(f(A)) and f(tU(A)).We establish basic properties of tU(f(A)) andf(tU(A)) for different functions ofmatrices. Some numerical tests demonstrate that the proposed preconditioners arevery efficient for solving the system f(A)x = b.

Many physical processes are described by elliptic or parabolic partial differential equations. For linear stability problems associated with such equations, the inverse Laplacian provides a very effective preconditioner. In addition, it is also readily available in most scientific calculations in the form of a Poisson solver or an implicit diffusive timestep. We incorporate Laplacian preconditioning into the inverse Arnoldi method, using BiCGSTAB to solve the large linear systems. Two successful implementations are described: spherical Couette flow described by the Navier-Stokes equations and Bose-Einstein condensation described by the nonlinear Schrödinger equation.

Conjugate symplectic eigenvalue problems arise in solving discrete linear-quadratic optimal control problems and discrete algebraic Riccati equations. In this article, backward errors of approximate pairs of conjugate symplectic matrices are obtained from their properties. Several numerical examples are given to illustrate the results.

Modelling fluid turbulence is perhaps one of the hardest problems in Applied Mathematics. In a recent paper, the author argued that the classical Navier–Stokes equation is not sufficient to describe the transition to turbulence, but that a Reiner–Rivlin type equation is needed instead. This is explored here for the simplest of all viscous fluid flows, the Couette flow, which is a simple shear between two moving plates. It is found that at high wavenumbers, the transition to unstable flow at the critical Reynolds number is characterized by a large number of eigenvalues of the Orr–Sommerfeld equation moving into the unstable zone essentially simultaneously. This would generate high-dimensional chaos almost immediately, and is a suggested mechanism for the transition to turbulence. Stability zones are illustrated for the flow, and a simple asymptotic solution confirms some of the features of these numerical results.

The hyperbolic quadratic eigenvalue problem (HQEP) was shown to admit Courant–Fischer type min–max principles in 1955 by Duffin and Cauchy type interlacing inequalities in 2010 by Veselić. It can be regarded as the closest analog (among all kinds of quadratic eigenvalue problem) to the standard Hermitian eigenvalue problem (among all kinds of standard eigenvalue problem). In this paper, we conduct a systematic study on the HQEP both theoretically and numerically. On the theoretical front, we generalize Wielandt–Lidskii type min–max principles and, as a special case, Fan type trace min/max principles and establish Weyl type and Wielandt–Lidskii–Mirsky type perturbation results when an HQEP is perturbed to another HQEP. On the numerical front, we justify the natural generalization of the Rayleigh–Ritz procedure with existing principles and our new optimization principles, and, as consequences of these principles, we extend various current optimization approaches—steepest descent/ascent and nonlinear conjugate gradient type methods for the Hermitian eigenvalue problem—to calculate a few extreme eigenvalues (of both positive and negative type). A detailed convergence analysis is given for the steepest descent/ascent methods. The analysis reveals the intrinsic quantities that control convergence rates and consequently yields ways of constructing effective preconditioners. Numerical examples are presented to demonstrate the proposed theory and algorithms.

In this paper, a local multilevel algorithm is investigated for solving linear systems arising from adaptive finite element approximations of second order elliptic problems with smooth complex coefficients. It is shown that the abstract theory for local multilevel algorithm can also be applied to elliptic problems whose dominant coefficient is complex valued. Assuming that the coarsest mesh size is sufficiently small, we prove that this algorithm with Gauss-Seidel smoother is convergent and optimal on the adaptively refined meshes generated by the newest vertex bisection algorithm. Numerical experiments are reported to confirm the theoretical analysis.

A new algorithm for the removal of additive uncorrelated Gaussian noise from a digital image is presented. The algorithm is based on a data driven methodology for the adaptive thresholding of wavelet coefficients. This methodology is derived from higher order statistics of the residual image, and requires no a priori estimate of the level of noise contamination of an image.

This paper presents a parallel algorithm for finding the smallest eigenvalue of a family of Hankel matrices that are ill-conditioned. Such matrices arise in random matrix theory and require the use of extremely high precision arithmetic. Surprisingly, we find that a group of commonly-used approaches that are designed for high efficiency are actually less efficient than a direct approach for this class of matrices. We then develop a parallel implementation of the algorithm that takes into account the unusually high cost of individual arithmetic operations. Our approach combines message passing and shared memory, achieving near-perfect scalability and high tolerance for network latency. We are thus able to find solutions for much larger matrices than previously possible, with the potential for extending this work to systems with greater levels of parallelism. The contributions of this work are in three areas: determination that a direct algorithm based on the secant method is more effective when extreme fixed-point precision is required than are the algorithms more typically used in parallel floating-point computations; the particular mix of optimizations required for extreme precision large matrix operations on a modern multi-core cluster, and the numerical results themselves.

The Teter, Payne, and Allan “preconditioning” function plays a significant role in planewave DFT calculations. This function is often called the TPA preconditioner. We present a detailed study of this “preconditioning” function. We develop a general formula that can readily generate a class of “preconditioning” functions. These functions have higher order approximation accuracy and fulfill the two essential “preconditioning” purposes as required in planewave DFT calculations. Our general class of functions are expected to have applications in other areas.

In earlier work we have studied a method for discretization in time of a parabolic problem, which consists of representing the exact solution as an integral in the complex plane and then applying a quadrature formula to this integral. In application to a spatially semidiscrete finite-element version of the parabolic problem, at each quadrature point one then needs to solve a linear algebraic system having a positive-definite matrix with a complex shift. We study iterative methods for such systems, considering the basic and preconditioned versions of first the Richardson algorithm and then a conjugate gradient method.

A preconditioned iterative method for the two-dimensional Helmholtz equation with Robbins boundary conditions is discussed. Using a finite-difference method to discretize the Helmholtz equation leads to a sparse system of equations which is too large to solve directly. The approach taken in this paper is to precondition this linear system with a sine transform based preconditioner and then solve it using the generalized minimum residual method (GMRES). An analytical formula for the eigenvalues of the preconditioned matrix is derived and it is shown that the eigenvalues are clustered around 1 except for some outliers. Numerical results are reported to demonstrate the effectiveness of the proposed method.