Efficient numerical algorithm for solving the gravimetry problem of finding a lateral density in a layer: Parallel implementation

The paper is devoted to developing the new time- and memory-efficient algorithm BiCGSTABmem for solving the inverse gravimetry problem of determination of a variable density in a layer using the gravitational data. The problem is in solving the linear Fredholm integral equation of the first kind. After discretization of the domain and approximation of the integral operator, this problem is reduced to solving a large system of linear algebraic equations. It is shown that the matrix of coefficients is the Toeplitz-block-Toeplitz one in the case of the horizontal layer. For calculating and storing the elements of this matrix, we construct an efficient method, which significantly reduces the required memory and time. For the case of the curvilinear layer, we construct a method for approximating the parts of the matrix by a Toeplitz-block-Toeplitz one. This allows us to exploit the same efficient method for storing and processing the coefficient matrix in the case of a curvilinear layer. To solve the system of linear equations, we constructed the parallel algorithm on the basis of the stabilized biconjugated gradient method with using the Toeplitz-block-Toeplitz structure of the matrix. We implemented the BiCGSTAB and BiCGSTABmem algorithms for the Uran cluster supercomputer using the hybrid MPI + OpenMP technology. A model problem with synthetic data was solved for a large grid. It was shown that the new BiCGSTABmem algorithm reduces the computation time in comparison with the BiCGSTAB. Scalability of the parallel algorithm was studied.     

Solving semi-infinite programs by smoothing projected gradient method

In this paper, we study a semi-infinite programming (SIP) problem with a convex set constraint. Using the value function of the lower level problem, we reformulate SIP problem as a nonsmooth optimization problem. Using the theory of nonsmooth Lagrange multiplier rules and Danskin’s theorem, we present constraint qualifications and necessary optimality conditions. We propose a new numerical method for solving the problem. The novelty of our numerical method is to use the integral entropy function to approximate the value function and then solve SIP by the smoothing projected gradient method. Moreover we study the relationships between the approximating problems and the original SIP problem. We derive error bounds between the integral entropy function and the value function, and between locally optimal solutions of the smoothing problem and those for the original problem. Using certain second order sufficient conditions, we derive some estimates for locally optimal solutions of problem. Numerical experiments show that the algorithm is efficient for solving SIP.     

广义特征值极小扰动问题的一类黎曼共轭梯度法

研究含参数$l$非方矩阵对广义特征值极小扰动问题所导出的一类复乘积流形约束矩阵最小二乘问题.与已有工作不同,本文直接针对复问题模型,结合复乘积流形的几何性质和欧式空间上的改进Fletcher-Reeves共轭梯度法,设计一类适用于问题模型的黎曼非线性共轭梯度求解算法,并给出全局收敛性分析.数值实验和数值比较表明该算法比参数$l=1$的已有算法收敛速度更快,与参数$l=n$的已有算法能得到相同精度的解.与部分其它流形优化相比与已有的黎曼Dai非线性共轭梯度法具有相当的迭代效率,与黎曼二阶算法相比单步迭代成本较低、总体迭代时间较少,与部分非流形优化算法相比在迭代效率上有明显优势.     

A fast BIE iteration method for an arbitrary body in a flow of incompressible inviscid fluid

The paper is concerned with the new iteration algorithm to solve boundary integral equations arising in boundary value problems of mathematical physics. The stability of the algorithm is demonstrated on the problem of a flow around bodies placed in the incompressible inviscid fluid. With a discrete numerical treatment, we approximate the exact matrix by a certain Töeplitz one and then apply a fast algorithm for this matrix, on each iteration step. We illustrate the convergence of this iteration scheme by a number of numerical examples, both for hard and soft boundary conditions. It appears that the method is highly efficient for hard boundaries, being much less efficient for soft boundaries.     

Weighted and deflated global GMRES algorithms for solving large Sylvester matrix equations

The solution of a large-scale Sylvester matrix equation plays an important role in control and large scientific computations. In this paper, we are interested in the large Sylvester matrix equation with large dimensionA and small dimension B, and a popular approach is to use the global Krylov subspace method. In this paper, we propose three new algorithms for this problem. We first consider the global GMRES algorithm with weighting strategy, which can be viewed as a precondition method. We present three new schemes to update the weighting matrix during iterations. Due to the growth of memory requirements and computational cost, it is necessary to restart the algorithm effectively. The deflation strategy is efficient for the solution of large linear systems and large eigenvalue problems; to the best of our knowledge, little work is done on applying deflation to the (weighted) global GMRES algorithm for large Sylvester matrix equations. We then consider how to combine the weighting strategy with deflated restarting, and propose a weighted global GMRES algorithm with deflation for solving large Sylvester matrix equations. In particular, we are interested in the global GMRES algorithm with deflation, which can be viewed as a special case when the weighted matrix is chosen as the identity. Theoretical analysis is given to show rationality of the new algorithms. Numerical experiments illustrate the numerical behavior of the proposed algorithms.

     

Hierarchical-matrix method for a class of diffusion-dominated partial integro-differential equations

A hierarchical matrix approach for solving diffusion-dominated partial integro-differential problems is presented. The corresponding diffusion-dominated differential operator is discretized by a second-order accurate finite-volume scheme, while the Fredholm integral term is approximated by the trapezoidal rule. The hierarchical matrix approach is used to approximate the resulting algebraic problem and includes the implementation of an efficient preconditioned generalized minimum residue (GMRes) solver. This approach extends previous work on integral forms of boundary element methods by taking into account inherent characteristics of the diffusion-dominated differential operator in the resultant algebraic problem. Numerical analysis estimates of the accuracy and stability of the finite-volume and the trapezoidal rule approximation are presented and combined with estimates of the hierarchical-matrix approximation and with the accuracy of the GMRes iterates. Results of numerical experiments are reported that successfully validate the theoretical accuracy and convergence estimates, and demonstrate the almost optimal computational complexity of the proposed solution procedure.     

On the numerical solution of loaded systems of ordinary differential equations with nonseparated multipoint and integral conditions

We propose a numerical method of solving systems of loaded linear nonautonomous ordinary differential equations with nonseparated multipoint and integral conditions. This method is based on the convolution of integral conditions to obtain local conditions. This approach allows one to reduce solving the original problem to solving a Cauchy problem for a system of ordinary differential equations and linear algebraic equations. Numerous computational experiments on several test problems with the formulas and schemes proposed for the numerical solution have been carried out. The results of the experiments show that the approach is reasonably efficient.     

Fast Fourier-Galerkin methods for first-kind logarithmic-kernel integral equations on open arcs

We propose a fully discrete fast Fourier-Galerkin method for solving an integral equation of the first kind with a logarithmic kernel on a smooth open arc,which is a reformulation of the Dirichlet problem of the Laplace equation in the plane.The optimal convergence order and quasi-linear complexity order of the proposed method are established.A precondition is introduced.Combining this method with an efficient numerical integration algorithm for computing the single-layer potential defined on an open arc,we...     

A unitary Hessenberg QR-based algorithm via semiseparable matrices

In this paper, we present a novel method for solving the unitary Hessenberg eigenvalue problem. In the first phase, an algorithm is designed to transform the unitary matrix into a diagonal-plus-semiseparable form. Then we rely on our earlier adaptation of the QR algorithm to solve the dpss eigenvalue problem in a fast and robust way. Exploiting the structure of the problem enables us to yield a quadratic time using a linear memory space. Nonetheless the algorithm remains robust and converges as fast as the customary QR algorithm. Numerical experiments confirm the effectiveness and the robustness of our approach.     

A partial proximal point algorithm for nuclear norm regularized matrix least squares problems

We introduce a partial proximal point algorithm for solving nuclear norm regularized matrix least squares problems with equality and inequality constraints. The inner subproblems, reformulated as a system of semismooth equations, are solved by an inexact smoothing Newton method, which is proved to be quadratically convergent under a constraint non-degeneracy condition, together with the strong semi-smoothness property of the singular value thresholding operator. Numerical experiments on a variety of problems including those arising from low-rank approximations of transition matrices show that our algorithm is efficient and robust.     

双变量矩阵方程组对称最小二乘解的迭代算法

本文研究了求双变量线性矩阵方程组的对称最小二乘解的问题.利用求解线性代数方程组的共轭梯度法的基本思想,通过对有关矩阵和系数的变形与近似处理,建立了一种迭代算法.拓宽了共轭梯度法的适用范围.算例表明,迭代算法是有效的.     

On inverse eigenvalue problems for block Toeplitz matrices with Toeplitz blocks

We propose an algorithm for solving the inverse eigenvalue problem for real symmetric block Toeplitz matrices with symmetric Toeplitz blocks. It is based upon an algorithm which has been used before by others to solve the inverse eigenvalue problem for general real symmetric matrices and also for Toeplitz matrices. First we expose the structure of the eigenvectors of the so-called generalized centrosymmetric matrices. Then we explore the properties of the eigenvectors to derive an efficient algorithm that is able to deliver a matrix with the required structure and spectrum. We have implemented our ideas in a Matlab code. Numerical results produced with this code are included.     

Error Bounds for Low-Rank Approximations of the First Exponential Integral Kernel

A hierarchical matrix is an efficient data-sparse representation of a matrix, especially useful for large dimensional problems. It consists of low-rank subblocks leading to low memory requirements as well as inexpensive computational costs. In this work, we discuss the use of the hierarchical matrix technique in the numerical solution of a large scale eigenvalue problem arising from a finite rank discretization of an integral operator. The operator is of convolution type, it is defined through the first exponential-integral function and, hence, it is weakly singular. We develop analytical expressions for the approximate degenerate kernels and deduce error upper bounds for these approximations. Some computational results illustrating the efficiency and robustness of the approach are presented.     

Nonlinear eigenvalue problem for a system of ordinary differential equations subject to a nonlocal condition

For a system of linear ordinary differential equations supplemented with a nonlocal condition specified by the Stieltjes integral, the problem of calculating the eigenvalues belonging to a given bounded domain in the complex plane is examined. It is assumed that the coefficient matrix of the system and the matrix function in the Stieltjes integral are analytic functions of the spectral parameter. A numerically stable method for solving this problem is proposed and justified. It is based on the use of an auxiliary boundary value problem and formulas of the argument principle type. The problem of calculating the corresponding eigenfunctions is also treated.     

A Galerkin boundary element method based on interpolatory Hermite trigonometric wavelets

A Galerkin boundary element method based on interpolatory Hermite trigonometric wavelets is presented for solving 2-D potential problems defined inside or outside of a circular boundary in this paper. In this approach, an equivalent variational form of the corresponding boundary integral equation for the potential problem is used; the trigonometric wavelets are employed as trial and test functions of the variational formulation. The analytical formulae of the matrix entries indicate that most of the matrix entries are naturally zero without any truncation technique and the system matrix is a block diagonal matrix. Each block consists of four circular submatrices. Hence the memory spaces and computational complexity of the system matrix are linear scale. This approach could be easily coupled into domain decomposition method based on variational formulation. Finally, the error estimates of the approximation solutions are given and some test examples are presented.     

A new Euler matrix method for solving systems of linear Volterra integral equations with variable coefficients

This article develops an efficient solver based on collocation points for solving numerically a system of linear Volterra integral equations (VIEs) with variable coefficients. By using the Euler polynomials and the collocation points, this method transforms the system of linear VIEs into the matrix equation. The matrix equation corresponds to a system of linear equations with the unknown Euler coefficients. A small number of Euler polynomials is needed to obtain a satisfactory result. Numerical results with comparisons are given to confirm the reliability of the proposed method for solving VIEs with variable coefficients.     

A linear-time algorithm for solving the molecular distance geometry problem with exact inter-atomic distances

We describe a linear-time algorithm for solving the molecular distance geometry problem with exact distances between all pairs of atoms. This problem needs to be solved in every iteration of general distance geometry algorithms for protein modeling such as the EMBED algorithm by Crippen and Havel (Distance Geometry and Molecular Conformation, Wiley, 1988). However, previous approaches to the problem rely on decomposing an distance matrix or minimizing an error function and require O(n²) to O(³) floating point operations. The linear-time algorithm will provide a much more efficient approach to the problem, especially in large-scale applications. It exploits the problem structure and hence is able to identify infeasible data more easily as well.     

A novel approach to solve linear systems arising from BEM using fast wavelet transforms

This paper uses Daubechies orthogonal wavelets to change dense and fully populated matrices of boundary element method (BEM) systems into sparse and semi‐banded matrices. Then a novel algorithm based on hierarchical nature of multiresolution analysis is introduced to solving resultant sparse linear systems. This algorithm decomposes NS‐form of transformed parent matrix into descendant systems with reduced sizes and solves them iteratively using GMRES algorithm. Both parts, changing dense matrices to sparse systems and the novel solver, can be added as a black box to the existing BEM codes. Transforming matrices into wavelet space needs less time than saved by solving sparse large systems. Numerical results with a precise study on sensitivity of solution for physical variables to the thresholding parameter, and savings in computer time and memory are presented. Also, the suitable value for thresholding parameter is recommended for elasticity problems. The results indicate that the proposed method is efficient for large problems. Copyright © 2009 John Wiley & Sons, Ltd.     

Memory‐efficient Arnoldi algorithms for linearizations of matrix polynomials in Chebyshev basis

Novel memory‐efficient Arnoldi algorithms for solving matrix polynomial eigenvalue problems are presented. More specifically, we consider the case of matrix polynomials expressed in the Chebyshev basis, which is often numerically more appropriate than the standard monomial basis for a larger degree d. The standard way of solving polynomial eigenvalue problems proceeds by linearization, which increases the problem size by a factor d. Consequently, the memory requirements of Krylov subspace methods applied to the linearization grow by this factor. In this paper, we develop two variants of the Arnoldi method that build the Krylov subspace basis implicitly, in a way that only vectors of length equal to the size of the original problem need to be stored. The proposed variants are generalizations of the so‐called quadratic Arnoldi method and two‐level orthogonal Arnoldi procedure methods, which have been developed for the monomial case. We also show how the typical ingredients of a full implementation of the Arnoldi method, including shift‐and‐invert and restarting, can be incorporated. Numerical experiments are presented for matrix polynomials up to degree 30 arising from the interpolation of nonlinear eigenvalue problems, which stem from boundary element discretizations of PDE eigenvalue problems. Copyright © 2013 John Wiley & Sons, Ltd.     

Discrete singular convolution method with perfectly matched absorbing layers for the wave scattering by periodic structures

A new computational algorithm is introduced for solving scattering problem in periodic structure. The PML technique is used to deal with the difficulty on truncating the unbounded domain while the DSC algorithm is utilized for the spatial discretization. The present study reveals that the method is efficient for solving the problem.