[NDTensors] [ITensors] Implement QR/RQ/QL/LQ decompositions #1012

JanReimers · 2022-11-20T21:39:12Z

No description provided.

Try and reduce complexity prior to implementing qr with combiners.

Also demonstrate index collection that fails for block sparse QR.

...With help from Niklas Tausendpfundt

Heisenberg Hamiltonian

…ts.jl!

codecov-commenter · 2022-11-21T16:36:32Z

Codecov Report

Merging #1012 (0dd5238) into main (4606546) will decrease coverage by 31.22%.
The diff coverage is 90.90%.

❗ Current head 0dd5238 differs from pull request most recent head b22f8a3. Consider uploading reports for the commit b22f8a3 to get more accurate results

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@@             Coverage Diff             @@
##             main    #1012       +/-   ##
===========================================
- Coverage   85.11%   53.89%   -31.22%     
===========================================
  Files          86       85        -1     
  Lines        8277     8251       -26     
===========================================
- Hits         7045     4447     -2598     
- Misses       1232     3804     +2572

Impacted Files	Coverage Δ
src/tensor_operations/matrix_decomposition.jl	`90.00% <90.90%> (-3.26%)`	⬇️

... and 42 files with indirect coverage changes

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NDTensors/src/blocksparse/linearalgebra.jl

Locating the diagonal in a lower tri matrix requires a little extra work. Add unit tests accordingly

Have to remember run unit test in a fresh REPL.

JanReimers · 2023-03-10T17:11:23Z

Status upate:

Full support for dense and Blocksparse QR/RQ/QL/LQ under review in PR#1012
Rank reduction support for QR/RQ/QL/LQ Will forward PR once PR#1012 is finished.
Update factorize() to allow Blocksparse through (currently it errors out before calling qr()) and allow RQ/LQ/QL
Update all docs accordingly

NDTensors/src/linearalgebra.jl

Test for 32/64 bit float and complex types Test for positive/real diagonals on L/R Enhance unit tests for qr/ql decomp

Use a more general complex phase change, instead of the sign change.

NDTensors/test/linearalgebra.jl

src/tensor_operations/matrix_decomposition.jl

NDTensors/src/blocksparse/linearalgebra.jl

mtfishman · 2023-03-13T22:53:05Z

@JanReimers we did a reorganization of the NDTensors library in #1061 so you'll need to update this PR appropriately.

NDTensors/src/linearalgebra/linearalgebra.jl

mtfishman · 2023-03-17T17:58:45Z

Looks great, thanks for sticking with all of the comments @JanReimers. It's been a long time coming to have block sparse QR implemented in ITensor, it's been on the TODO list for many years so I'm very happy to see it finally happen! Is this ready to merge from your end?

JanReimers · 2023-03-17T18:06:11Z

Yes, I have tested everything I can think of in the MPO compression module. There are probably more unit tests than we need in NDTensors and ITensors, but they are all small/fast, so better too many the too few for now. Thanks for your patience with me. Cheers Jan

…

On Fri, Mar 17, 2023 at 11:58 AM Matt Fishman ***@***.***> wrote: Looks great, thanks for sticking with all of the comments @JanReimers <https://github.com/JanReimers>. It's been a long time coming to have block sparse QR implemented in ITensor, it's been on the TODO list for many years. Is this ready to merge from your end? — Reply to this email directly, view it on GitHub <#1012 (comment)>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/ARKEZ5BTOSDYMBHGQ2JI4SLW4SQ6BANCNFSM6AAAAAASGBJND4> . You are receiving this because you were mentioned.Message ID: ***@***.***>

JanReimers added 21 commits November 13, 2022 15:50

Refactor: Breakout index fixing in qr() for empty left/right indices

f10e2d3

Try and reduce complexity prior to implementing qr with combiners.

qr decomp, switch to using combiners for gathering indices.

cd88e80

Handle empty index collections on Q or R.

9de2ff6

Also demonstrate index collection that fails for block sparse QR.

Fix known block sparse failing use case

dfb66e0

...With help from Niklas Tausendpfundt

Add attribution for Niklas

9752128

Add qr test on autoMPO generated block sparse tensors

253b5ec

Heisenberg Hamiltonian

Move block sparse QR into NDTensors layer where it belongs.

c43814f

Run the formatter

24c2ff7

Fix qr overload disambiguation problem in julia 1.6

78c556f

Add flux checks for block sparse qr tests

401eef3

Implement RQ decomposition.

c6486eb

Add rq decomp for block sparse matrices

6e84eb6

Add test for positive=true and rq decomp

3424827

Implement QL/LQ decompositions

ecd8931

Add tests for ComplexF64 and upper /lower checks for R/L

b75f40d

Fix flakey fail of NDTensors unit tests

93c391f

Endless struggle to get julia to see symbols I *already* put in expor…

fd8546c

…ts.jl!

Removed unused version qr()

3b4962e

Pass through kwargs for LQ/QL functions

2a2391e

Run the formatter

b9dbda7

Try and fix lq symbol clash exposed in julia 1.8

0f8c092

JanReimers and others added 6 commits November 26, 2022 08:26

Merge branch 'ITensor:main' into main

4b6ed1a

Fix QN direction of qx link for rq decomp.

ba0bfdd

Merge branch 'ITensor:main' into main

ac1e53c

Fix flux tests to reflect new QN dir fix for rq decomp

ce7512c

Remove direction tests

ad726dc

Merge branch 'main' into RQQLLQ

35690ec

mtfishman reviewed Dec 7, 2022

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mtfishman reviewed Dec 7, 2022

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JanReimers added 5 commits March 8, 2023 10:15

Merge remote-tracking branch 'origin/main' into RQQLLQ

ca39f9c

Fix bug in ql_positive routine

858e070

Locating the diagonal in a lower tri matrix requires a little extra work. Add unit tests accordingly

Remove some debug code.

885dfe9

Fix: UndefVarError: tensor not defined

5ee47bf

Have to remember run unit test in a fresh REPL.

Qualify tensor()

420241d

mtfishman reviewed Mar 10, 2023

View reviewed changes

NDTensors/src/linearalgebra.jl Outdated Show resolved Hide resolved

JanReimers added 3 commits March 11, 2023 13:33

Enhance unit tests for qr/ql decomp

2b10908

Test for 32/64 bit float and complex types Test for positive/real diagonals on L/R Enhance unit tests for qr/ql decomp

Format

3b5072d

Don't assume lapack qr/ql returns reals on the R/L diagonals

59542df

Use a more general complex phase change, instead of the sign change.

mtfishman reviewed Mar 13, 2023

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NDTensors/test/linearalgebra.jl Outdated Show resolved Hide resolved

mtfishman reviewed Mar 13, 2023

View reviewed changes

src/tensor_operations/matrix_decomposition.jl Outdated Show resolved Hide resolved

mtfishman reviewed Mar 13, 2023

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NDTensors/src/blocksparse/linearalgebra.jl Outdated Show resolved Hide resolved

JanReimers added 6 commits March 15, 2023 10:24

Avoid type piracy in unit test code

042578b

Remove unnessecary usage of where {ElT}

e6ff0e6

Pass tags as a keyward argument. And format.

af73844

Merge remote-tracking branch 'origin/main' into RQQLLQ

e191c1d

Use new randomTensor(ElT,tuple) interface

6d3f6b3

Eliminate where{IndsT} for dense qr/ql

4a16f3d

mtfishman reviewed Mar 16, 2023

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mtfishman reviewed Mar 16, 2023

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mtfishman reviewed Mar 16, 2023

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mtfishman reviewed Mar 16, 2023

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JanReimers added 3 commits March 16, 2023 12:25

Handle zero pivots gracefully with the new sign(diag) code.

e53c85b

Remove where {T} for low level ql routine.

04cccd7

Format

b22f8a3

mtfishman merged commit faa8b94 into ITensor:main Mar 17, 2023
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[NDTensors] [ITensors] Implement QR/RQ/QL/LQ decompositions #1012

[NDTensors] [ITensors] Implement QR/RQ/QL/LQ decompositions #1012

JanReimers commented Nov 20, 2022

codecov-commenter commented Nov 21, 2022 •

edited

JanReimers commented Mar 10, 2023

mtfishman commented Mar 13, 2023

mtfishman commented Mar 17, 2023 •

edited

JanReimers commented Mar 17, 2023 via email

[NDTensors] [ITensors] Implement QR/RQ/QL/LQ decompositions #1012

[NDTensors] [ITensors] Implement QR/RQ/QL/LQ decompositions #1012

Conversation

JanReimers commented Nov 20, 2022

codecov-commenter commented Nov 21, 2022 • edited

Codecov Report

JanReimers commented Mar 10, 2023

mtfishman commented Mar 13, 2023

mtfishman commented Mar 17, 2023 • edited

JanReimers commented Mar 17, 2023 via email

codecov-commenter commented Nov 21, 2022 •

edited

mtfishman commented Mar 17, 2023 •

edited