ZGEJSV(3)
π ZGEJSV(3) β Library Functions Manual π
okay bestie, welcome to the Library Functions Manual glow-up for ZGEJSV(3). This is a whole lot of complex SVD energy, flags with opinions, and accuracy lore. No cap: every option, formula, warning, and weird little source quirk is staying right here. π
π NAME π
/home/abuild/rpmbuild/BUILD/lapack-static-3.12.0-build/lapack-3.12.0/SRC/zgejsv.fβ bestie, this is the source file this page is documenting. Like, the actual Fortran file. π
β¨ SYNOPSIS β¨
π§ Functions/Subroutines π§
subroutine ZGEJSV (joba, jobu, jobv, jobr, jobt, jobp, m, n, a, lda,
sva, u, ldu, v, ldv, cwork, lwork, rwork, lrwork, iwork, info)
π«Ά Function/Subroutine Documentation π«Ά
subroutine ZGEJSV (character*1 joba, character*1 jobu, character*1 jobv,
character*1 jobr, character*1 jobt, character*1 jobp, integer m, integer
n, complex*16, dimension( lda, * ) a, integer lda, double precision,
dimension( n ) sva, complex*16, dimension( ldu, * ) u, integer ldu,
complex*16, dimension( ldv, * ) v, integer ldv, complex*16, dimension(
lwork ) cwork, integer lwork, double precision, dimension( lrwork )
rwork, integer lrwork, integer, dimension( * ) iwork, integer info)
ZGEJSV β yes, the name again, because the source says it twice and we respect the source. π
πΈ Purpose πΈ
ZGEJSV computes the singular value decomposition (SVD) of a complex M-by-N matrix [A], where M >= N. The SVD of [A] is written as
[A] = [U] * [SIGMA] * [V]^*,
where [SIGMA] is an N-by-N (M-by-N) matrix which is zero except for its N diagonal elements, [U] is an M-by-N (or M-by-M) unitary matrix, and [V] is an N-by-N unitary matrix. The diagonal elements of [SIGMA] are the singular values of [A]. The columns of [U] and [V] are the left and the right singular vectors of [A], respectively. The matrices [U] and [V] are computed and stored in the arrays U and V, respectively. The diagonal of [SIGMA] is computed and stored in the array SVA. Iconic behavior, honestly. β¨
π Parameters π
okay, now the parameters. There are many. We love them. Every one gets its moment. π
JOBA π¦
JOBA β CHARACTER*1. Specifies the level of accuracy:
'C'β This option works well (high relative accuracy) ifA = B * D, with well-conditionedBand arbitrary diagonal matrixD. The accuracy cannot be spoiled by COLUMN scaling. The accuracy of the computed output depends on the condition ofB, and the procedure aims at the best theoretical accuracy. The relative errormax_{i=1:N}|d sigma_i| / sigma_iis bounded byf(M,N)*epsilon* cond(B), independent ofD. The input matrix is preprocessed with the QRF with column pivoting. This initial preprocessing and preconditioning by a rank revealing QR factorization is common for all values ofJOBA. Additional actions are specified as follows:'E'β Computation as with'C'with an additional estimate of the condition number ofB. It provides a realistic error bound.'F'β IfA = D1 * C * D2with ill-conditioned diagonal scalingsD1,D2, and well-conditioned matrixC, this option gives higher accuracy than the'C'option. If the structure of the input matrix is not known, and relative accuracy is desirable, then this option is advisable. The input matrixAis preprocessed with QR factorization with FULL (row and column) pivoting.'G'β Computation as with'F'with an additional estimate of the condition number ofB, whereA=B*D. IfAhas heavily weighted rows, then using this condition number gives too pessimistic error bound.'A'β Small singular values are not well determined by the data and are considered as noisy; the matrix is treated as numerically rank deficient. The error in the computed singular values is bounded byf(m,n)*epsilon*||A||. The computed SVDA = U * S * V^*restoresAup tof(m,n)*epsilon*||A||. This gives the procedure the licence to discard (set to zero) all singular values belowN*epsilon*||A||.'R'β Similar as in'A'. Rank revealing property of the initial QR factorization is used to reveal (using triangular factor) a gapsigma_{r+1} < epsilon * sigma_rin which case the numerical RANK is declared to ber. The SVD is computed with absolute error bounds, but more accurately than with'A'.
JOBU π
JOBU β CHARACTER*1. Specifies whether to compute the columns of U:
'U'β N columns ofUare returned in the arrayU.'F'β full set of M left sing. vectors is returned in the arrayU.'W'βUmay be used as workspace of lengthM*N. See the description ofU.'N'βUis not computed.
JOBV π
JOBV β CHARACTER*1. Specifies whether to compute the matrix V:
'V'β N columns ofVare returned in the arrayV; Jacobi rotations are not explicitly accumulated.'J'β N columns ofVare returned in the arrayV, but they are computed as the product of Jacobi rotations, ifJOBT = 'N'.'W'βVmay be used as workspace of lengthN*N. See the description ofV.'N'βVis not computed.
JOBR π₯
JOBR β CHARACTER*1. Specifies the RANGE for the singular values. Issues the licence to set to zero small positive singular values if they are outside specified range. If A .NE. 0 is scaled so that the largest singular value of c*A is around SQRT(BIG), BIG=DLAMCH('O'), then JOBR issues the licence to kill columns of A whose norm in c*A is less than SQRT(SFMIN) (for JOBR = 'R'), or less than SMALL=SFMIN/EPSLN, where SFMIN=DLAMCH('S'), EPSLN=DLAMCH('E').
'N'β Do not kill small columns ofc*A. This option assumes that BLAS and QR factorizations and triangular solvers are implemented to work in that range. If the condition ofAis greater thanBIG, useZGESVJ.'R'β RESTRICTED range forsigma(c*A)is[SQRT(SFMIN), SQRT(BIG)](roughly, as described above). This option is recommended.
The source even drops this little divider:===========================For computing the singular values in the FULL range[SFMIN,BIG]useZGESVJ.
JOBT π§
JOBT β CHARACTER*1. If the matrix is square then the procedure may determine to use transposed A if A^* seems to be better with respect to convergence. If the matrix is not square, JOBT is ignored. The decision is based on two values of entropy over the adjoint orbit of A^* * A. See the descriptions of RWORK(6) and RWORK(7).
'T'β transpose if entropy test indicates possibly faster convergence of Jacobi process ifA^*is taken as input. IfAis replaced withA^*, then the row pivoting is included automatically.'N'β do not speculate.
The option 'T' can be used to compute only the singular values, or the full SVD (U, SIGMA and V). For only one set of singular vectors (U or V), the caller should provide both U and V, as one of the matrices is used as workspace if the matrix A is transposed. The implementer can easily remove this constraint and make the code more complicated. See the descriptions of U and V. In general, this option is considered experimental, and 'N' should be preferred. This is subject to changes in the future.
Experimental alert, bestie β 'T' is giving βfun but maybe not the defaultβ energy. π
JOBP π«Ά
JOBP β CHARACTER*1. Issues the licence to introduce structured perturbations to drown denormalized numbers. This licence should be active if the denormals are poorly implemented, causing slow computation, especially in cases of fast convergence (!). For details see [1,2]. For the sake of simplicity, these perturbations are included only when the full SVD or only the singular values are requested. The implementer/user can easily add the perturbation for the cases of computing one set of singular vectors.
'P'β introduce perturbation'N'β do not perturb
M π
M β INTEGER. The number of rows of the input matrix A. M >= 0.
N π¦
N β INTEGER. The number of columns of the input matrix A. M >= N >= 0.
A π
A β COMPLEX*16 array, dimension (LDA,N). On entry, the M-by-N matrix A.
LDA β
LDA β INTEGER. The leading dimension of the array A. LDA >= max(1,M).
SVA πΈ
SVA β DOUBLE PRECISION array, dimension (N). On exit:
- For
RWORK(1)/RWORK(2) = ONE: The singular values ofA. During the computationSVAcontains Euclidean column norms of the iterated matrices in the arrayA. - For
RWORK(1) .NE. RWORK(2): The singular values ofAare(RWORK(1)/RWORK(2)) * SVA(1:N). This factored form is used ifsigma_max(A)overflows or if small singular values have been saved from underflow by scaling the input matrixA. - If
JOBR='R'then some of the singular values may be returned as exact zeros obtained by because they are below the numerical rank threshold or are denormalized numbers.
U π
U πΈ
U is a COMPLEX*16 array, dimension ( LDU, N ). Hereβs the vibe check, bestie:
- If
JOBU = 'U', then on exitUcontains theM-by-Nmatrix of the left singular vectors. π - If
JOBU = 'F', then on exitUcontains theM-by-Mmatrix of the left singular vectors, including anONBof the orthogonal complement of theRange(A). β¨ - If
JOBU = 'W'.AND. (JOBV = 'V'.AND.JOBT = 'T'.AND.M = N), thenUis used as workspace if the procedure replacesAwithA^*. In that case,[V]is computed inUas left singular vectors ofA^*and then copied back to theVarray. This'W'option is just a reminder to the caller that in this caseUis reserved as workspace of lengthN*N. π«Ά - If
JOBU = 'N',Uis not referenced, unlessJOBT='T'. π
LDU π
LDU is INTEGER β itβs the leading dimension of the array U, and LDU >= 1. IF JOBU = 'U' or 'F' or 'W', then LDU >= M. No cap.
V π¦
V is a COMPLEX*16 array, dimension ( LDV, N ). The tea:
- If
JOBV = 'V','J'thenVcontains on exit theN-by-Nmatrix of the right singular vectors; π - If
JOBV = 'W', AND (JOBU = 'U'ANDJOBT = 'T'ANDM = N), thenVis used as workspace if the procedure replacesAwithA^*. In that case,[U]is computed inVas right singular vectors ofA^*and then copied back to theUarray. This'W'option is just a reminder to the caller that in this caseVis reserved as workspace of lengthN*N. π - If
JOBV = 'N',Vis not referenced, unlessJOBT='T'. π
LDV β
LDV is INTEGER β the leading dimension of the array V, LDV >= 1. If JOBV = 'V' or 'J' or 'W', then LDV >= N. Slay.
CWORK π§
CWORK is a COMPLEX*16 array, dimension (MAX(2,LWORK)). If the call to ZGEJSV is a workspace query (indicated by LWORK=-1 or LRWORK=-1), then on exit CWORK(1) contains the required length of CWORK for the job parameters used in the call. π
LWORK π₯
LWORK is INTEGER. Itβs the length of CWORK to confirm proper allocation of workspace. LWORK depends on the job, bestie:
- If only
SIGMAis needed (JOBU = 'N',JOBV = 'N') and 1.1. .. no scaled condition estimate required (JOBA.NE.'E'.AND.JOBA.NE.'G'):LWORK >= 2*N+1. This is the minimal requirement.- For optimal performance (blocked code) the optimal value is
LWORK >= N + (N+1)*NB. HereNBis the optimal block size forZGEQP3andZGEQRF. - In general, optimal
LWORKis computed asLWORK >= max(N+LWORK(ZGEQP3),N+LWORK(ZGEQRF), LWORK(ZGESVJ)). 1.2. .. an estimate of the scaled condition number ofAis required (JOBA='E', or'G'). In this case, the minimal requirement isLWORK >= N*N + 2*N. - For optimal performance (blocked code) the optimal value is
LWORK >= max(N+(N+1)*NB, N*N+2*N)=N**2+2*N. - In general, the optimal length
LWORKis computed asLWORK >= max(N+LWORK(ZGEQP3),N+LWORK(ZGEQRF), LWORK(ZGESVJ), N*N+LWORK(ZPOCON)).
- For optimal performance (blocked code) the optimal value is
- If
SIGMAand the right singular vectors are needed (JOBV = 'V'), (JOBU = 'N') 2.1. .. no scaled condition estimate requested (JOBE = 'N'):- the minimal requirement is
LWORK >= 3*N. - For optimal performance,
LWORK >= max(N+(N+1)*NB, 2*N+N*NB)=2*N+N*NB, whereNBis the optimal block size forZGEQP3,ZGEQRF,ZGELQF,ZUNMLQ. In general, the optimal lengthLWORKis computed asLWORK >= max(N+LWORK(ZGEQP3), N+LWORK(ZGESVJ), N+LWORK(ZGELQF), 2*N+LWORK(ZGEQRF), N+LWORK(ZUNMLQ)). 2.2. .. an estimate of the scaled condition number ofAis required (JOBA='E', or'G'). - the minimal requirement is
LWORK >= 3*N. - For optimal performance,
LWORK >= max(N+(N+1)*NB, 2*N,2*N+N*NB)=2*N+N*NB, whereNBis the optimal block size forZGEQP3,ZGEQRF,ZGELQF,ZUNMLQ. In general, the optimal lengthLWORKis computed asLWORK >= max(N+LWORK(ZGEQP3), LWORK(ZPOCON), N+LWORK(ZGESVJ), N+LWORK(ZGELQF), 2*N+LWORK(ZGEQRF), N+LWORK(ZUNMLQ)).
- the minimal requirement is
- If
SIGMAand the left singular vectors are needed 3.1. .. no scaled condition estimate requested (JOBE = 'N'):- the minimal requirement is
LWORK >= 3*N. - For optimal performance: if
JOBU = 'U'::LWORK >= max(3*N, N+(N+1)*NB, 2*N+N*NB)=2*N+N*NB, whereNBis the optimal block size forZGEQP3,ZGEQRF,ZUNMQR. In general, the optimal lengthLWORKis computed asLWORK >= max(N+LWORK(ZGEQP3), 2*N+LWORK(ZGEQRF), N+LWORK(ZUNMQR)). 3.2. .. an estimate of the scaled condition number ofAis required (JOBA='E', or'G'). - the minimal requirement is
LWORK >= 3*N. - For optimal performance: if
JOBU = 'U'::LWORK >= max(3*N, N+(N+1)*NB, 2*N+N*NB)=2*N+N*NB, whereNBis the optimal block size forZGEQP3,ZGEQRF,ZUNMQR. In general, the optimal lengthLWORKis computed asLWORK >= max(N+LWORK(ZGEQP3),N+LWORK(ZPOCON), 2*N+LWORK(ZGEQRF), N+LWORK(ZUNMQR)).
- the minimal requirement is
- If the full SVD is needed: (
JOBU = 'U'orJOBU = 'F') and 4.1. ifJOBV = 'V'the minimal requirement isLWORK >= 5*N+2*N*N. 4.2. ifJOBV = 'J'the minimal requirement isLWORK >= 4*N+N*N. In both cases, the allocatedCWORKcan accommodate blocked runs ofZGEQP3,ZGEQRF,ZGELQF,SUNMQR,ZUNMLQ.
If the call to ZGEJSV is a workspace query (indicated by LWORK=-1 or LRWORK=-1), then on exit CWORK(1) contains the optimal and CWORK(2) contains the minimal length of CWORK for the job parameters used in the call. π«
RWORK π
RWORK is a DOUBLE PRECISION array, dimension (MAX(7,LRWORK)). On exit, hereβs what each slot is giving:
RWORK(1) = Determines the scaling factor SCALE = RWORK(2) / RWORK(1)such thatSCALE*SVA(1:N)are the computed singular values ofA. (See the description ofSVA().) πΈRWORK(2) = See the description of RWORK(1).RWORK(3) = SCONDAis an estimate for the condition number of column equilibratedA. (IfJOBA = 'E'or'G')SCONDAis an estimate ofSQRT(||(R^* * R)^(-1)||_1). It is computed usingZPOCON. It holdsN^(-1/4) * SCONDA <= ||R^(-1)||_2 <= N^(1/4) * SCONDAwhereRis the triangular factor from theQRFofA. However, ifRis truncated and the numerical rank is determined to be strictly smaller thanN,SCONDAis returned as-1, thus indicating that the smallest singular values might be lost. π
If full SVD is needed, the following two condition numbers are useful for the analysis of the algorithm. They are provided for a developer/implementer who is familiar with the details of the method.
RWORK(4) = an estimate of the scaled condition number of the triangular factor in the first QR factorization.RWORK(5) = an estimate of the scaled condition number of the triangular factor in the second QR factorization.
The following two parameters are computed if JOBT = 'T'. They are provided for a developer/implementer who is familiar with the details of the method.
RWORK(6) = the entropy of A^* * A :: this is the Shannon entropy of diag(A^* * A) / Trace(A^* * A) taken as point in the probability simplex.RWORK(7) = the entropy of A * A^*. (See the description of RWORK(6).)
If the call to ZGEJSV is a workspace query (indicated by LWORK=-1 or LRWORK=-1), then on exit RWORK(1) contains the required length of RWORK for the job parameters used in the call. π
LRWORK
πΎ LRWORK
LRWORK is INTEGER β it's the length of RWORK, bestie, and it's literally there so the routine can double-check that you actually gave it enough workspace π«Ά. And ofc it depends on the job:
- only the singular values, i.e.
LSAME(JOBU,'N') .AND. LSAME(JOBV,'N'):LSAME(JOBT,'T') .OR. LSAME(JOBA,'F') .OR. LSAME(JOBA,'G')β thenLRWORK = max( 7, 2 * M ).- otherwise β
LRWORK = max( 7, N ).
- singular values with the right singular vectors, i.e.
(LSAME(JOBV,'V').OR.LSAME(JOBV,'J')) .AND. .NOT.(LSAME(JOBU,'U').OR.LSAME(JOBU,'F')):LSAME(JOBT,'T') .OR. LSAME(JOBA,'F') .OR. LSAME(JOBA,'G')β thenLRWORK = max( 7, 2 * M ).- otherwise β
LRWORK = max( 7, N ).
- singular values with the left singular vectors, i.e.
(LSAME(JOBU,'U').OR.LSAME(JOBU,'F')) .AND. .NOT.(LSAME(JOBV,'V').OR.LSAME(JOBV,'J')):LSAME(JOBT,'T') .OR. LSAME(JOBA,'F') .OR. LSAME(JOBA,'G')β thenLRWORK = max( 7, 2 * M ).- otherwise β
LRWORK = max( 7, N ).
- singular values with both the left and the right singular vectors, i.e.
(LSAME(JOBU,'U').OR.LSAME(JOBU,'F')) .AND. (LSAME(JOBV,'V').OR.LSAME(JOBV,'J')):LSAME(JOBT,'T') .OR. LSAME(JOBA,'F') .OR. LSAME(JOBA,'G')β thenLRWORK = max( 7, 2 * M ).- otherwise β
LRWORK = max( 7, N ).
If, on entry,LRWORK = -1orLWORK=-1, a workspace query is assumed and the length ofRWORKis returned inRWORK(1)β¨.
ποΈ IWORK
IWORK is an INTEGER array, dimension at least 4, and yeahβ¦ it further depends on the job π:
- only the singular values β if
( LSAME(JOBT,'T') .OR. LSAME(JOBA,'F') .OR. LSAME(JOBA,'G') )then the length ofIWORKisN+M; otherwise the length ofIWORKisN. - singular values + the right singular vectors β if
( LSAME(JOBT,'T') .OR. LSAME(JOBA,'F') .OR. LSAME(JOBA,'G') )then the length ofIWORKisN+M; otherwise the length ofIWORKisN. - singular values + the left singular vectors β if
( LSAME(JOBT,'T') .OR. LSAME(JOBA,'F') .OR. LSAME(JOBA,'G') )then the length ofIWORKisN+M; otherwise the length ofIWORKisN. - singular values with both the left and the right singular vectors:
- if
LSAME(JOBV,'J')the length ofIWORKis determined as follows: if( LSAME(JOBT,'T') .OR. LSAME(JOBA,'F') .OR. LSAME(JOBA,'G') )then the length ofIWORKisN+M; otherwise the length ofIWORKisN. - if
LSAME(JOBV,'V')the length ofIWORKis determined as follows: if( LSAME(JOBT,'T') .OR. LSAME(JOBA,'F') .OR. LSAME(JOBA,'G') )then the length ofIWORKis2*N+M; otherwise the length ofIWORKis2*N.
- if
On exit, the receipts are π:
IWORK(1)= the numerical rank determined after the initial QR factorization with pivoting. See the descriptions ofJOBAandJOBR.IWORK(2)= the number of the computed nonzero singular values.IWORK(3)= if nonzero, a warning message: ifIWORK(3) = 1then some of the column norms ofAwere denormalized floats. The requested high accuracy is not warranted by the data. πIWORK(4)=1or-1. IfIWORK(4) = 1, then the procedure usedA^*to do the job as specified by theJOBparameters.
If the call toZGEJSVis a workspace query (indicated byLWORK = -1orLRWORK = -1), then on exitIWORK(1)contains the required length ofIWORKfor the job parameters used in the call β¨.
π¦ INFO
INFO is INTEGER
< 0:ifINFO = -i, then the i-th argument had an illegal value. yeah that one's on you bestie π= 0:successful exit! slay π> 0:ZGEJSVdid not converge in the maximal allowed number of sweeps. The computed values may be inaccurate. π«
π Author
Univ. of Tennessee
Univ. of California Berkeley
Univ. of Colorado Denver
NAG Ltd.
π¬ Further Details:
ZGEJSV implements a preconditioned Jacobi SVD algorithm. It uses ZGEQP3, ZGEQRF, and ZGELQF as preprocessors and preconditioners. Optionally, an additional row pivoting can be used as a preprocessor, which in some cases results in much higher accuracy. An example is matrix A with the structure A = D1 * C * D2, where D1, D2 are arbitrarily ill-conditioned diagonal matrices and C is well-conditioned matrix. In that case, complete pivoting in the first QR factorizations provides accuracy dependent on the condition number of C, and independent of D1, D2. Such higher accuracy is not completely understood theoretically, but it works well in practice. Further, if A can be written as A = B*D, with well-conditioned B and some diagonal D, then the high accuracy is guaranteed, both theoretically and in software, independent of D. For more details see [1], [2].
The computational range for the singular values can be the full range ( UNDERFLOW,OVERFLOW ), provided that the machine arithmetic and the BLAS & LAPACK routines called by ZGEJSV are implemented to work in that range. If that is not the case, then the restriction for safe computation with the singular values in the range of normalized IEEE numbers is that the spectral condition number kappa(A)=sigma_max(A)/sigma_min(A) does not overflow. This code (ZGEJSV) is best used in this restricted range, meaning that singular values of magnitude below ||A||_2 / DLAMCH('O') are returned as zeros. See JOBR for details on this.
Further, this implementation is somewhat slower than the one described in [1,2] due to replacement of some non-LAPACK components, and because the choice of some tuning parameters in the iterative part (ZGESVJ) is left to the implementer on a particular machine π΄ (ngl, implementer's problem).
The rank revealing QR factorization (in this code: ZGEQP3) should be implemented as in [3]. We have a new version of ZGEQP3 under development that is more robust than the current one in LAPACK, with a cleaner cut in rank deficient cases. It will be available in the SIGMA library [4].
If M is much larger than N, it is obvious that the initial QRF with column pivoting can be preprocessed by the QRF without pivoting. That well known trick is not used in ZGEJSV because in some cases heavy row weighting can be treated with complete pivoting. The overhead in cases M much larger than N is then only due to pivoting, but the benefits in terms of accuracy have prevailed. The implementer/user can incorporate this extra QRF step easily. The implementer can also improve data movement (matrix transpose, matrix copy, matrix transposed copy) β this implementation of ZGEJSV uses only the simplest, naive data movement π§β¨.
π«Ά Contributor:
Zlatko Drmac, Department of Mathematics, Faculty of Science, University of Zagreb (Zagreb, Croatia); drmac@math.hr
π References:
- [1] Z. Drmac and K. Veselic: New fast and accurate Jacobi SVD algorithm I. SIAM J. Matrix Anal. Appl. Vol. 35, No. 2 (2008), pp. 1322-1342. LAPACK Working note 169.
- [2] Z. Drmac and K. Veselic: New fast and accurate Jacobi SVD algorithm II. SIAM J. Matrix Anal. Appl. Vol. 35, No. 2 (2008), pp. 1343-1362. LAPACK Working note 170.
- [3] Z. Drmac and Z. Bujanovic: On the failure of rank-revealing QR factorization software - a case study. ACM Trans. Math. Softw. Vol. 35, No 2 (2008), pp. 1-28. LAPACK Working note 176.
- [4] Z. Drmac: SIGMA - mathematical software library for accurate SVD, PSV, QSVD, (H,K)-SVD computations. Department of Mathematics, University of Zagreb, 2008, 2016.
π Bugs, examples and comments:
Please report all bugs and send interesting examples and/or comments to drmac@math.hr. Thank you π (he's literally so sweet about it).
Definition at line 566 of file zgejsv.f.
π Author
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