An iterative algorithm for least squares problem in quaternionic quantum theory

Quaternionic least squares (QLS) problem is one method of solving overdetermined sets of quaternion linear equations AXB=E that is appropriate when there is error in the matrix E. In this paper, by means of real representation of a quaternion matrix, we introduce a concept of norm of quaternion matrices, which is different from that in [T. Jiang, L. Chen, Algebraic algorithms for least squares problem in quaternionic quantum theory, Comput. Phys. Comm. 176 (2007) 481-485; T. Jiang, M. Wei, Equality constrained least squares problem over quaternion field, Appl. Math. Lett. 16 (2003) 883-888], and derive an iterative method for finding the minimum-norm solution of the QLS problem in quaternionic quantum theory.     

An algebraic method for Schrödinger equations in quaternionic quantum mechanics

In the study of theory and numerical computations of quaternionic quantum mechanics and quantum chemistry, one of the most important tasks is to solve the Schrödinger equation with A an anti-self-adjoint real quaternion matrix, and |f〉 an eigenstate to A. The quaternionic Schrödinger equation plays an important role in quaternionic quantum mechanics, and it is known that the study of the quaternionic Schrödinger equation is reduced to the study of quaternionic eigen-equation Aα=αλ with A an anti-self-adjoint real quaternion matrix (time-independent). This paper, by means of complex representation of quaternion matrices, introduces concepts of norms of quaternion matrices, studies the problems of quaternionic Least Squares eigenproblem, and give a practical algebraic technique of computing approximate eigenvalues and eigenvectors of a quaternion matrix in quaternionic quantum mechanics.     

On the problem of general structural assignments of linear systems through sensor/actuator selection

A systematic method is developed for determining an output matrix C for a given matrix pair (A,B) such that the resulting linear system characterized by the matrix triple (A,B,C) has the pre-specified system structural properties, such as the finite and infinite zero structure and the invertibility structures. Since the matrix C describes the locations of the sensors, the procedure of choosing C is often referred to as sensor selection. The method developed in this paper for sensor selection can be applied to the dual problem of actuator selection, where, for a given matrix pair (A,C), a matrix B is to be determined such that the resulting matrix triple (A,B,C) has the pre-specified structural properties.     

Optimal control of markov chains admitting strong and weak interactions

This paper is devoted to the study of an optimal control problem for a Markov chain with generator B + εA, where ε is a small parameter. It is shown that an approximate solution can be calculated by a policy improvement algorithm involving computations relative to an ‘aggregated’ problem (the dimension of which is given by N, the number of ergodic sets for the B matrix) together with a family of ‘decentralized’ problems (the dimensions of which are given by the number of elements in each ergodic set for the B matrix).     

The range of the iterated matrix adjoint operator

The following inverse problem is considered: for a given n × n real matrix B, does there exist a real matrix A such that

where the classical adjoint operation is intended? The rank of B and the number of applications of the adjoint operator determine the character of this general inverse problem for the iterated adjoint operator. Thus, for given B, the question of interest is whether or not B lies in the range of the iterated matrix adjoint operator. Maple V R5 is used as an aid to obtain results indicated here.     

A B-spline Galerkin method for the Dirac equation

The B-spline Galerkin method is first investigated for the simple eigenvalue problem, y^″=−λ²y, that can also be written as a pair of first-order equations y^′=λz, z^′=−λy. Expanding both y(r) and z(r) in the Bk basis results in many spurious solutions such as those observed for the Dirac equation. However, when y(r) is expanded in the Bk basis and z(r) in the dBk/dr basis, solutions of the well-behaved second-order differential equation are obtained. From this analysis, we propose a stable method (Bk,Bk±1) basis for the Dirac equation and evaluate its accuracy by comparing the computed and exact R-matrix for a wide range of nuclear charges Z and angular quantum numbers κ. When splines of the same order are used, many spurious solutions are found whereas none are found for splines of different order. Excellent agreement is obtained for the R-matrix and energies for bound states for low values of Z. For high Z, accuracy requires the use of a grid with many points near the nucleus. We demonstrate the accuracy of the bound-state wavefunctions by comparing integrals arising in hyperfine interaction matrix elements with exact analytic expressions. We also show that the Thomas-Reiche-Kuhn sum rule is not a good measure of the quality of the solutions obtained by the B-spline Galerkin method whereas the R-matrix is very sensitive to the appearance of pseudo-states.     

Structure-preserving numerical algorithm for solving discrete-time LMI and DARS

We present a numerical algorithm to solve a discrete-time linear matrix inequality (LMI) and discrete-time algebraic Riccati system (DARS). With a given system (A,B,C,D) we associate a para-hermitian matrix pencil. Then we transform it by an orthogonal transformation matrix into a block-triangular para-hermitian form. Under either of the two assumptions (1) matrix pair (A,B) is controllable or (2) matrix pair (A,B) is reachable and (A,B,C,D) is a left invertible system, we extract the solution of LMI and DARS by the entries of the orthogonal transformation matrix.     

Matrix iterative algorithms for least-squares problem in quaternionic quantum theory

Quaternionic least squares (QLS) is an efficient method for solving approximate problems in quaternionic quantum theory. Based on Paige's algorithms LSQR and residual-reducing version of LSQR proposed in Paige and Saunders [LSQR: An algorithm for sparse linear equations and sparse least squares, ACM Trans. Math. Softw. 8(1) (1982), pp. 43–71], we provide two matrix iterative algorithms for finding solution with the least norm to the QLS problem by making use of structure of real representation matrices. Numerical experiments are presented to illustrate the efficiency of our algorithms.     

A note on the Consecutive Ones Submatrix problem

A binary matrix has the Consecutive Ones Property (C1P) for columns if there exists a permutation of its rows that leaves the 1's consecutive in every column. The problem of Consecutive Ones Property for a matrix is a special variant of Consecutive Ones Submatrix problem in which a positive integer K is given and we want to know if there exists a submatrix B of A consisting of K columns of A with C1P property. This paper presents an error in the proof of NP-completeness for this problem in the reference cited in text by Garey and Johnson [Computers and Intractability, A Guide to the Theory of NP-Completeness, 1979].     

Solvability conditions of problem of synthesizing proportional-integral control of a linear MIMO system

The solvability conditions and just the solution of the problem of the regular and irregular proportional-integral (PI) control are found in accordance with the properties of invariant zeros of a multi-input multioutput (MIMO) system. It is proved that the problem of synthesizing the control of the MIMO system is solvable if and only if the pair of matrices (A, B) that describes a control plant is controllable and the matrix B_L^⊥AC_R^⊥ (where B_L^⊥ is the left zero divisor of the matrix B and C_R^⊥ is the right zero divisor of the output matrix C) has a complete row rank.     

Sturm sequences or law of inertia of quadratic forms?

In obtaining the number of eigenvalues greater than a given constant λ₀ of the eigenvalue problem [A]{x} = λ[B]{x} with [A] and [B] real, symmetric, and [B] positive definite, one usually refers to the Sturm sequence established by the leading principal minors of [A–λ₀B], the proof of which is given basically when the associated special eigenvalue problem is tridiagonal. In this work, using the law of inertia of quadratic forms, it is shown that the number of eigenvalues of [A]{x}] = λ[B]{x} greater than a given constant λ₀ (not an eigenvalue) is the number of positive entries of the diagonal matrix [d] in the identity [A–λ₀B] = [u]^T[d][u] where [u] is the upper triangular matrix associated with Crout-Banachievicz type decomposition of [A –λ₀B], without the help of the separation theorem and the Sturm sequence.     

Explicit solutions to the quaternion matrix equations X−AXF=C and X−A[Xtilde] F=C

In the present paper, we investigate the quaternion matrix equation X?AXF=C and X?A[Xtilde] F=C. For convenience, we named the quaternion matrix equations X?AXF=C and X?A[Xtilde] F=C as quaternion Stein matrix equation and quaternion Stein-conjugate matrix equation. Based on the Kronecker map and complex representation of a quaternion matrix, we give the solution expressions of the quaternion Stein matrix equation and quaternion Stein-conjugate matrix equation. Through these expressions, we can easily obtain the solution of the above two equations. In order to compare the direct algorithm with the indirect algorithm, we propose an example to illustrate the effectiveness of the proposed method.     

POTHMF: A program for computing potential curves and matrix elements of the coupled adiabatic radial equations for a hydrogen-like atom in a homogeneous magnetic field

A FORTRAN 77 program is presented which calculates with the relative machine precision potential curves and matrix elements of the coupled adiabatic radial equations for a hydrogen-like atom in a homogeneous magnetic field. The potential curves are eigenvalues corresponding to the angular oblate spheroidal functions that compose adiabatic basis which depends on the radial variable as a parameter. The matrix elements of radial coupling are integrals in angular variables of the following two types: product of angular functions and the first derivative of angular functions in parameter, and product of the first derivatives of angular functions in parameter, respectively. The program calculates also the angular part of the dipole transition matrix elements (in the length form) expressed as integrals in angular variables involving product of a dipole operator and angular functions. Moreover, the program calculates asymptotic regular and irregular matrix solutions of the coupled adiabatic radial equations at the end of interval in radial variable needed for solving a multi-channel scattering problem by the generalized R-matrix method. Potential curves and radial matrix elements computed by the POTHMF program can be used for solving the bound state and multi-channel scattering problems. As a test desk, the program is applied to the calculation of the energy values, a short-range reaction matrix and corresponding wave functions with the help of the KANTBP program. Benchmark calculations for the known photoionization cross-sections are presented.

Program summary

Program title:POTHMFCatalogue identifier:AEAA_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEAA_v1_0.htmlProgram obtainable from:CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions:Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.:8123No. of bytes in distributed program, including test data, etc.:131 396Distribution format:tar.gzProgramming language:FORTRAN 77Computer:Intel Xeon EM64T, Alpha 21264A, AMD Athlon MP, Pentium IV Xeon, Opteron 248, Intel Pentium IVOperating system:OC Linux, Unix AIX 5.3, SunOS 5.8, Solaris, Windows XPRAM:Depends on

1.

the number of radial differential equations;

2.

the number and order of finite elements;

3.

the number of radial points.

Test run requires 4 MBClassification:2.5External routines:POTHMF uses some Lapack routines, copies of which are included in the distribution (see README file for details).Nature of problem:In the multi-channel adiabatic approach the Schrödinger equation for a hydrogen-like atom in a homogeneous magnetic field of strength γ (γ=B/B₀, B₀≅2.35×¹⁰⁵ T is a dimensionless parameter which determines the field strength B) is reduced by separating the radial coordinate, r, from the angular variables, (θ,φ), and using a basis of the angular oblate spheroidal functions [3] to a system of second-order ordinary differential equations which contain first-derivative coupling terms [4]. The purpose of this program is to calculate potential curves and matrix elements of radial coupling needed for calculating the low-lying bound and scattering states of hydrogen-like atoms in a homogeneous magnetic field of strength 0<γ?1000 within the adiabatic approach [5]. The program evaluates also asymptotic regular and irregular matrix radial solutions of the multi-channel scattering problem needed to extract from the R-matrix a required symmetric shortrange open-channel reaction matrix K [6] independent from matching point [7]. In addition, the program computes the dipole transition matrix elements in the length form between the basis functions that are needed for calculating the dipole transitions between the low-lying bound and scattering states and photoionization cross sections [8].Solution method:The angular oblate spheroidal eigenvalue problem depending on the radial variable is solved using a series expansion in the Legendre polynomials [3]. The resulting tridiagonal symmetric algebraic eigenvalue problem for the evaluation of selected eigenvalues, i.e. the potential curves, is solved by the LDL^T factorization using the DSTEVR program [2]. Derivatives of the eigenfunctions with respect to the radial variable which are contained in matrix elements of the coupled radial equations are obtained by solving the inhomogeneous algebraic equations. The corresponding algebraic problem is solved by using the LDL^T factorization with the help of the DPTTRS program [2]. Asymptotics of the matrix elements at large values of radial variable are computed using a series expansion in the associated Laguerre polynomials [9]. The corresponding matching points between the numeric and asymptotic solutions are found automatically. These asymptotics are used for the evaluation of the asymptotic regular and irregular matrix radial solutions of the multi-channel scattering problem [7]. As a test desk, the program is applied to the calculation of the energy values of the ground and excited bound states and reaction matrix of multi-channel scattering problem for a hydrogen atom in a homogeneous magnetic field using the KANTBP program [10].Restrictions:The computer memory requirements depend on:

1.

the number of radial differential equations;

2.

the number and order of finite elements;

3.

the total number of radial points.

Restrictions due to dimension sizes can be changed by resetting a small number of PARAMETER statements before recompiling (see Introduction and listing for details).Running time:The running time depends critically upon:

1.

the number of radial differential equations;

2.

the number and order of finite elements;

3.

the total number of radial points on interval [rmin,rmax].

The test run which accompanies this paper took 7 s required for calculating of potential curves, radial matrix elements, and dipole transition matrix elements on a finite-element grid on interval [rmin=0, rmax=100] used for solving discrete and continuous spectrum problems and obtaining asymptotic regular and irregular matrix radial solutions at rmax=100 for continuous spectrum problem on the Intel Pentium IV 2.4 GHz. The number of radial differential equations was equal to 6. The accompanying test run using the KANTBP program took 2 s for solving discrete and continuous spectrum problems using the above calculated potential curves, matrix elements and asymptotic regular and irregular matrix radial solutions. Note, that in the accompanied benchmark calculations of the photoionization cross-sections from the bound states of a hydrogen atom in a homogeneous magnetic field to continuum we have used interval [rmin=0, rmax=1000] for continuous spectrum problem. The total number of radial differential equations was varied from 10 to 18.References:

[1]

W.H. Press, S.A. Teukolsky, W.T. Vetterling, B.P. Flannery, Numerical Recipes: The Art of Scientific Computing, Cambridge University Press, Cambridge, 1986.

[2]

http://www.netlib.org/lapack/.

[3]

M. Abramovits, I.A. Stegun, Handbook of Mathematical Functions, Dover, New York, 1965.

[4]

U. Fano, Colloq. Int. C.N.R.S. 273 (1977) 127; A.F. Starace, G.L. Webster, Phys. Rev. A 19 (1979) 1629-1640; C.V. Clark, K.T. Lu, A.F. Starace, in: H.G. Beyer, H. Kleinpoppen (Eds.), Progress in Atomic Spectroscopy, Part C, Plenum, New York, 1984, pp. 247-320; U. Fano, A.R.P. Rau, Atomic Collisions and Spectra, Academic Press, Florida, 1986.

[5]

M.G. Dimova, M.S. Kaschiev, S.I. Vinitsky, J. Phys. B 38 (2005) 2337-2352; O. Chuluunbaatar, A.A. Gusev, V.L. Derbov, M.S. Kaschiev, V.V. Serov, T.V. Tupikova, S.I. Vinitsky, Proc. SPIE 6537 (2007) 653706-1-18.

[6]

M.J. Seaton, Rep. Prog. Phys. 46 (1983) 167-257.

[7]

M. Gailitis, J. Phys. B 9 (1976) 843-854; J. Macek, Phys. Rev. A 30 (1984) 1277-1278; S.I. Vinitsky, V.P. Gerdt, A.A. Gusev, M.S. Kaschiev, V.A. Rostovtsev, V.N. Samoylov, T.V. Tupikova, O. Chuluunbaatar, Programming and Computer Software 33 (2007) 105-116.

[8]

H. Friedrich, Theoretical Atomic Physics, Springer, New York, 1991.

[9]

R.J. Damburg, R.Kh. Propin, J. Phys. B 1 (1968) 681-691; J.D. Power, Phil. Trans. Roy. Soc. London A 274 (1973) 663-702.

[10]

O. Chuluunbaatar, A.A. Gusev, A.G. Abrashkevich, A. Amaya-Tapia, M.S. Kaschiev, S.Y. Larsen, S.I. Vinitsky, Comput. Phys. Comm. 177 (2007) 649-675.

     

Quaternion rational surfaces: Rational surfaces generated from the quaternion product of two rational space curves

A quaternion rational surface is a surface generated from two rational space curves by quaternion multiplication. The goal of this paper is to demonstrate how to apply syzygies to analyze quaternion rational surfaces. We show that we can easily construct three special syzygies for a quaternion rational surface from a μ-basis for one of the generating rational space curves. The implicit equation of any quaternion rational surface can be computed from these three special syzygies and inversion formulas for the non-singular points on quaternion rational surfaces can be constructed. Quaternion rational ruled surfaces are generated from the quaternion product of a straight line and a rational space curve. We investigate special μ-bases for quaternion rational ruled surfaces and use these special μ-bases to provide implicitization and inversion formulas for quaternion rational ruled surfaces. Finally, we show how to determine if a real rational surface is also a quaternion rational surface.     

Observability analysis of rotation estimation by fusing inertial and line-based visual information: A revisit

This note presents a simple approach to the observability analysis of the rotation estimation using line-based dynamic vision and inertial sensors. The problem was originally raised and formulated in Rehbinder, and Ghosh [2003. Pose estimation using line-based dynamic vision and inertial sensors. IEEE Transactions on Automatic Control, 48(2), 186-199.] where the unobservable subgroup was derived using complex matrix manipulations. By solving linear quaternion equations and using set operations, we not only successfully obtain the same result but also naturally extend it for the case with linearly dependent lines. The development in this note is more straightforward and gives rise to a clearer picture of the problem.     

CPsuperH2.0: An improved computational tool for Higgs phenomenology in the MSSM with explicit CP violation

We describe the Fortran code CPsuperH2.0, which contains several improvements and extensions of its predecessor CPsuperH. It implements improved calculations of the Higgs-boson pole masses, notably a full treatment of the 4×4 neutral Higgs propagator matrix including the Goldstone boson and a more complete treatment of threshold effects in self-energies and Yukawa couplings, improved treatments of two-body Higgs decays, some important three-body decays, and two-loop Higgs-mediated contributions to electric dipole moments. CPsuperH2.0 also implements an integrated treatment of several B-meson observables, including the branching ratios of Bs→μ⁺μ⁻, Bd→τ⁺τ⁻, Bu→τν, B→Xsγ and the latter's CP-violating asymmetry ACP, and the supersymmetric contributions to the mass differences. These additions make CPsuperH2.0 an attractive integrated tool for analyzing supersymmetric CP and flavour physics as well as searches for new physics at high-energy colliders such as the Tevatron, LHC and linear colliders.¹

Program summary

Program title: CPsuperH2.0Catalogue identifier: ADSR_v2_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADSR_v2_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 13 290No. of bytes in distributed program, including test data, etc.: 89 540Distribution format: tar.gzProgramming language: Fortran 77Computer: PC running under Linux and computers in Unix environmentOperating system: LinuxRAM: 32 MbytesClassification: 11.1Catalogue identifier of the previous version: ADSR_v1_0Journal reference of the previous version: CPC 156 (2004) 283Does the new version supersede the previous version?: YesNature of problem: The calculations of mass spectrum, decay widths and branching ratios of the neutral and charged Higgs bosons in the Minimal Supersymmetric Standard Model with explicit CP violation have been improved. The program is based on recent renormalization-group-improved diagrammatic calculations that include dominant higher-order logarithmic and threshold corrections, b-quark Yukawa-coupling resummation effects and improved treatment of Higgs-boson pole-mass shifts. The couplings of the Higgs bosons to the Standard Model gauge bosons and fermions, to their supersymmetric partners and all the trilinear and quartic Higgs-boson self-couplings are also calculated. The new implementations include a full treatment of the 4×4(2×2) neutral (charged) Higgs propagator matrix together with the center-of-mass dependent Higgs-boson couplings to gluons and photons, two-loop Higgs-mediated contributions to electric dipole moments, and an integrated treatment of several B-meson observables.Solution method: One-dimensional numerical integration for several Higgs-decay modes, iterative treatment of the threshold corrections and Higgs-boson pole masses, and the numerical diagonalization of the neutralino mass matrix.Reasons for new version: Mainly to provide a coherent numerical framework which calculates consistently observables for both low- and high-energy experiments.Summary of revisions: Improved treatment of Higgs-boson masses and propagators. Improved treatment of Higgs-boson couplings and decays. Higgs-mediated two-loop electric dipole moments. B-meson observables.Running time: Less than 0.1 seconds.     

On the RAS-algorithm

Given a nonnegative real (m, n) matrixA and positive vectorsu, v, then the biproportional constrained matrix problem is to find a nonnegative (m, n) matrixB such thatB=diag (x) A diag (y) holds for some vectorsx ∈ ? ^m andy ∈ ? ⁿ and the row (column) sums ofB equalu _i (v _j )i=1,...,m(j=1,..., n). A solution procedure (called the RAS-method) was proposed by Bacharach [1] to solve this problem. The main disadvantage of this algorithm is, that round-off errors slow down the convergence. Here we present a modified RAS-method which together with several other improvements overcomes this disadvantage.     

A note on compressed sensing and the complexity of matrix multiplication

We consider the conjectured O(N2+?) time complexity of multiplying any two N×N matrices A and B. Our main result is a deterministic Compressed Sensing (CS) algorithm that both rapidly and accurately computes A⋅B provided that the resulting matrix product is sparse/compressible. As a consequence of our main result we increase the class of matrices A, for any given N×N matrix B, which allows the exact computation of A⋅B to be carried out using the conjectured O(N2+?) operations. Additionally, in the process of developing our matrix multiplication procedure, we present a modified version of Indyk's recently proposed extractor-based CS algorithm [P. Indyk, Explicit constructions for compressed sensing of sparse signals, in: SODA, 2008] which is resilient to noise.     

Strictly positive definite kernels on subsets of the complex plane

Let (z, w) ∈ ℂ × ℂ (zw) be a positive definite kernel and B a subset of ℂ. In this paper, we seek conditions in order that the restriction (z, w) ∈ B × B(zw) be strictly positive definite. Since this problem has been solved recently in the cases in which B is either ℂ or the unit circle in ℂ, our purpose here is twofold: to present some results we obtained when attempting to solve the problem for the above and other choices of B and to acquaint the audience with some other questions that remain. For two different classes of subsets, we completely characterize the strict positive definiteness of the kernel. We include a complete discussion of the case in which B is the unit circle of ℂ, making a comparison with the classical problem of strict positive definiteness on the real circle.     

A fully parallel method for the singular eigenvalue problem

In this paper, a fully parallel method for finding some or all finite eigenvalues of a real symmetric matrix pencil (A, B) is presented, where A is a symmetric tridiagonal matrix and B is a diagonal matrix with b₁ > 0 and b_i ≥ 0, i = 2,3,…,n. The method is based on the homotopy continuation with rank 2 perturbation. It is shown that there are exactly m disjoint, smooth homotopy paths connecting the trivial eigenvalues to the desired eigenvalues, where m is the number of finite eigenvalues of (A, B). It is also shown that the homotopy curves are monotonic and easy to follow.