An algorithm for least squares analysis of spectroscopic data

This paper describes a variant of the Gauss-Newton-Hartley algorithm for nonlinear least squares, in which aQR implementation is used to solve the linear least squares problem. We follow Grey's idea of updating variables at intermediate stages of the orthogonalization. This technique, applied in partitions identified with known or suspected spectral lines, appears to be especially suited to the analysis of spectroscopic data. We suggest that this algorithm is an attractive candidate for the optimization role in Ekenberg's interactive computer graphics curve fitting program.     

一种基于矩阵初等变换的Schmidt正交化方法

对向量组的Schmidt正交化法和合同变换法的关系进行了分析,指出Schmidt正交化法就是合同变换法中利用规范化初等变换后的一种特殊情况,由此给出一种基于矩阵初等变换的Schmidt正交化方法——Schmidt初等变换正交化法,以及这一方法在软件Matlab上实现的程序.     

基于Schmidt正交化的快速求逆法

基于Schmidt正交化过程获得了一种计算逆矩阵的新方法.对于可逆矩阵A,有Q=MA,其中Q是酉矩阵,M是下三角矩阵.本文直接从Schmidt规范正交化出发,获得下三角矩阵M的计算公式,从而求得逆矩阵A-1=QHM=AHMTM.     

Roundoff Error Estimates of the Modified Gram–Schmidt Algorithm with Column Pivoting

In this paper we provide backward and forward roundoff error estimates of the modified Gram–Schmidt algorithm with column pivoting. It turns out that the row-wise growth factors of this algorithm are bounded. Furthermore, if the coefficient matrix is well conditioned, then with properly chosen tolerance , this algorithm can also correctly determine the numerical rank of the coefficient matrix. We also derive a forward roundoff error estimate of this algorithm for the solution of the least squares problem.     

On the modified Gram-Schmidt algorithm for weighted and constrained linear least squares problems

A framework and an algorithm for using modified Gram-Schmidt for constrained and weighted linear least squares problems is presented. It is shown that a direct implementation of a weighted modified Gram-Schmidt algorithm is unstable for heavily weighted problems. It is shown that, in most cases it is possible to get a stable algorithm by a simple modification free from any extra computational costs. In particular, it is not necessary to perform reorthogonalization.Solving the weighted and constrained linear least squares problem with the presented weighted modified Gram-Schmidt algorithm is seen to be numerically equivalent to an algorithm based on a weighted Householder-likeQR factorization applied to a slightly larger problem. This equivalence is used to explain the instability of the weighted modified Gram-Schmidt algorithm. If orthogonality, with respect to a weighted inner product, of the columns inQ is important then reorthogonalization can be used. One way of performing such reorthogonalization is described.Computational tests are given to show the main features of the algorithm.     

Analysis of a class of superconvergence patch recovery techniques for linear and bilinear finite elements

Mathematical proofs are presented for the derivative superconvergence obtained by a class of patch recovery techniques for both linear and bilinear finite elements in the approximation of second‐order elliptic problems. © 1999 John Wiley & Sons, Inc. Numer Methods Partial Differential Eq 15: 151–167, 1999     

A Class of Incomplete Orthogonal Factorization Methods. I: Methods and Theories

We present a class of incomplete orthogonal factorization methods based on Givens rotations for large sparse unsymmetric matrices. These methods include: Incomplete Givens Orthogonalization (IGO-method) and its generalisation (GIGO-method), which drop entries from the incomplete orthogonal and upper triangular factors by position; Threshold Incomplete Givens Orthogonalization (TIGO()-method), which drops entries dynamically by their magnitudes; and its generalisation (GTIGO(,p)-method), which drops entries dynamically by both their magnitudes and positions. Theoretical analyses show that these methods can produce a nonsingular sparse incomplete upper triangular factor and either a complete orthogonal factor or a sparse nonsingular incomplete orthogonal factor for a general nonsingular matrix. Therefore, these methods can potentially generate efficient preconditioners for Krylov subspace methods for solving large sparse systems of linear equations. Moreover, the upper triangular factor is an incomplete Cholesky factorization preconditioner for the normal equations matrix from least-squares problems.     

剔除相关性的最小二乘研究

本文提出了一种新的回归模型,剔除相关性的最小二乘,它有效的克服了变量间的相关性,兼顾到变量的筛选。并与最小二乘、向后删除变量法、偏最小二乘比较分析。发现剔除相关性的最小二乘能很好的处理自变量间多重相关性,对变量进行有效的筛选,克服了回归系数反常的现象。     

Experiments on orthogonalization by biorthogonal representations of orthogonal projectors

A number of experiments are performed with the aim of enhancing a particular feature arising when biorthogonal sequences are used for the purpose of orthogonalization. It is shown that an orthogonalization process executed by biorthogonal sequences and followed by a re-orthogonalization step admits four numerically different realizations. The four possibilities are originated by the fact that, although an orthogonal projector is by definition a self-adjoint operator, due to numerical errors in finite precision arithmetic the biorthogonal representation does not fulfil such a property. In the experiments presented here one of the realizations is shown clearly numerically superior to the remaining three.     

When modified Gram-Schmidt generates a well-conditioned set of vectors

In this paper, we show why the modified Gram–Schmidt algorithmgenerates a well-conditioned set of vectors. This result holdsunder the assumption that the initial matrix is not ‘tooill-conditioned’ in a way that is quantified. As a consequencewe show that if two iterations of the algorithm are performed,the resulting algorithm produces a matrix whose columns areorthogonal up to machine precision. Finally, we illustrate througha numerical experiment the sharpness of our result.     

A flexible block classical Gram–Schmidt skeleton with reorthogonalization

We investigate a variant of the reorthogonalized block classical Gram–Schmidt method for computing the QR factorization of a full column rank matrix. Our aim is to bound the loss of orthogonality even when the first local QR algorithm is only conditionally stable. In particular, this allows the use of modified Gram–Schmidt instead of Householder transformations as the first local QR algorithm. Numerical experiments confirm the stable behavior of the new variant. We also examine the use of non-QR local factorization and show by example that the resulting variants, although less stable, may also be applied to ill-conditioned problems.     

A modified Gram–Schmidt algorithm with iterative orthogonalization and column pivoting

Iterative orthogonalization is aimed to ensure small deviation from orthogonality in the Gram–Schmidt process. Former applications of this technique are restricted to classical Gram–Schmidt (CGS) and column-oriented modified Gram–Schmidt (MGS). The major aim of this paper is to explain how iterative orthogonalization is incorporated into row-oriented MGS. The interest that we have in a row-oriented iterative MGS comes from the observation that this method is capable of performing column pivoting. The use of column pivoting delays the deteriorating effects of rounding errors and helps to handle rank-deficient least-squares problems.

A second modification proposed in this paper considers the use of Gram–Schmidt QR factorization for solving linear least-squares problems. The standard solution method is based on one orthogonalization of the r.h.s. vector b against the columns of Q. The outcome of this process is the residual vector, r^*, and the solution vector, x^*. The modified scheme is a natural extension of the standard solution method that allows it to apply iterative orthogonalization. This feature ensures accurate computation of small residuals and helps in cases when Q has some deviation from orthogonality.