f01kff computes the Fréchet derivative $L(A,E)$ of the $p$th power (where $p$ is real) of the complex $n\times n$ matrix $A$ applied to the complex $n\times n$ matrix $E$. The principal matrix power ${A}^{p}$ is also returned.
where $\mathrm{log}\left(A\right)$ is the principal logarithm of $A$ (the unique logarithm whose spectrum lies in the strip $\{z:-\pi <\mathrm{Im}\left(z\right)<\pi \}$). If $A$ is nonsingular but has negative real eigenvalues, the principal logarithm is not defined, but a non-principal $p$th power can be defined by using a non-principal logarithm.
The Fréchet derivative of the matrix $p$th power of $A$ is the unique linear mapping $E\u27fcL(A,E)$ such that for any matrix $E$
The derivative describes the first-order effect of perturbations in $A$ on the matrix power ${A}^{p}$.
f01kff uses the algorithms of Higham and Lin (2011) and Higham and Lin (2013) to compute ${A}^{p}$ and $L(A,E)$. The real number $p$ is expressed as $p=q+r$ where $q\in (\mathrm{-1},1)$ and $r\in \mathbb{Z}$. Then ${A}^{p}={A}^{q}{A}^{r}$. The integer power ${A}^{r}$ is found using a combination of binary powering and, if necessary, matrix inversion. The fractional power ${A}^{q}$ is computed using a Schur decomposition, a Padé approximant and the scaling and squaring method. The Padé approximant is differentiated in order to obtain the Fréchet derivative of ${A}^{q}$ and $L(A,E)$ is then computed using a combination of the chain rule and the product rule for Fréchet derivatives.
4References
Higham N J (2008) Functions of Matrices: Theory and Computation SIAM, Philadelphia, PA, USA
Higham N J and Lin L (2011) A Schur–Padé algorithm for fractional powers of a matrix SIAM J. Matrix Anal. Appl.32(3) 1056–1078
Higham N J and Lin L (2013) An improved Schur–Padé algorithm for fractional powers of a matrix and their Fréchet derivatives SIAM J. Matrix Anal. Appl.34(3) 1341–1360
Note: the second dimension of the array a
must be at least
${\mathbf{n}}$.
On entry: the $n\times n$ matrix $A$.
On exit: the $n\times n$ principal matrix $p$th power, ${A}^{p}$. Alternatively if ${\mathbf{ifail}}={\mathbf{1}}$, a non-principal $p$th power is returned.
3: $\mathbf{lda}$ – IntegerInput
On entry: the first dimension of the array a as declared in the (sub)program from which f01kff is called.
Note: the second dimension of the array e
must be at least
${\mathbf{n}}$.
On entry: the $n\times n$ matrix $E$.
On exit: the Fréchet derivative $L(A,E)$.
5: $\mathbf{lde}$ – IntegerInput
On entry: the first dimension of the array e as declared in the (sub)program from which f01kff is called.
Constraint:
${\mathbf{lde}}\ge {\mathbf{n}}$.
6: $\mathbf{p}$ – Real (Kind=nag_wp)Input
On entry: the required power of $A$.
7: $\mathbf{ifail}$ – IntegerInput/Output
On entry: ifail must be set to $0$, $\mathrm{-1}$ or $1$ to set behaviour on detection of an error; these values have no effect when no error is detected.
A value of $0$ causes the printing of an error message and program execution will be halted; otherwise program execution continues. A value of $\mathrm{-1}$ means that an error message is printed while a value of $1$ means that it is not.
If halting is not appropriate, the value $\mathrm{-1}$ or $1$ is recommended. If message printing is undesirable, then the value $1$ is recommended. Otherwise, the value $0$ is recommended. When the value $-\mathbf{1}$ or $\mathbf{1}$ is used it is essential to test the value of ifail on exit.
On exit: ${\mathbf{ifail}}={\mathbf{0}}$ unless the routine detects an error or a warning has been flagged (see Section 6).
6Error Indicators and Warnings
If on entry ${\mathbf{ifail}}=0$ or $\mathrm{-1}$, explanatory error messages are output on the current error message unit (as defined by x04aaf).
Errors or warnings detected by the routine:
${\mathbf{ifail}}=1$
$A$ has eigenvalues on the negative real line. The principal $p$th power is not defined in this case, so a non-principal power was returned.
${\mathbf{ifail}}=2$
$A$ is singular so the $p$th power cannot be computed.
${\mathbf{ifail}}=3$
${A}^{p}$ has been computed using an IEEE double precision Padé approximant, although the arithmetic precision is higher than IEEE double precision.
${\mathbf{ifail}}=4$
An unexpected internal error occurred. This failure should not occur and suggests that the routine has been called incorrectly.
${\mathbf{ifail}}=-1$
On entry, ${\mathbf{n}}=\u27e8\mathit{\text{value}}\u27e9$. Constraint: ${\mathbf{n}}\ge 0$.
${\mathbf{ifail}}=-3$
On entry, ${\mathbf{lda}}=\u27e8\mathit{\text{value}}\u27e9$ and ${\mathbf{n}}=\u27e8\mathit{\text{value}}\u27e9$. Constraint: ${\mathbf{lda}}\ge {\mathbf{n}}$.
${\mathbf{ifail}}=-5$
On entry, ${\mathbf{lde}}=\u27e8\mathit{\text{value}}\u27e9$ and ${\mathbf{n}}=\u27e8\mathit{\text{value}}\u27e9$. Constraint: ${\mathbf{lde}}\ge {\mathbf{n}}$.
${\mathbf{ifail}}=-99$
An unexpected error has been triggered by this routine. Please
contact NAG.
See Section 7 in the Introduction to the NAG Library FL Interface for further information.
${\mathbf{ifail}}=-399$
Your licence key may have expired or may not have been installed correctly.
See Section 8 in the Introduction to the NAG Library FL Interface for further information.
${\mathbf{ifail}}=-999$
Dynamic memory allocation failed.
See Section 9 in the Introduction to the NAG Library FL Interface for further information.
7Accuracy
For a normal matrix $A$ (for which ${A}^{\mathrm{H}}A=A{A}^{\mathrm{H}}$), the Schur decomposition is diagonal and the computation of the fractional part of the matrix power reduces to evaluating powers of the eigenvalues of $A$ and then constructing ${A}^{p}$ using the Schur vectors. This should give a very accurate result. In general, however, no error bounds are available for the algorithm. See Higham and Lin (2011) and Higham and Lin (2013) for details and further discussion.
If the condition number of the matrix power is required then f01kef should be used.
8Parallelism and Performance
Background information to multithreading can be found in the Multithreading documentation.
f01kff is threaded by NAG for parallel execution in multithreaded implementations of the NAG Library.
f01kff makes calls to BLAS and/or LAPACK routines, which may be threaded within the vendor library used by this implementation. Consult the documentation for the vendor library for further information.
Please consult the X06 Chapter Introduction for information on how to control and interrogate the OpenMP environment used within this routine. Please also consult the Users' Note for your implementation for any additional implementation-specific information.
9Further Comments
The complex allocatable memory required by the algorithm is approximately $6\times {n}^{2}$.
If the matrix $p$th power alone is required, without the Fréchet derivative, then f01fqf should be used. If the condition number of the matrix power is required then f01kef should be used. The real analogue of this routine is f01jff.
10Example
This example finds ${A}^{p}$ and the Fréchet derivative of the matrix power $L(A,E)$, where $p=0.2$,