Support for time-dependent Hamiltonians and observable evaluation in `TrotterQRTE` #9565

Durd3nT · 2023-02-10T10:56:27Z

Summary

This PR adds two features to the TrotterQRTE class.

it adds support for time-dependent Hamiltonians (i.e., singly parametrized operators)
it extends the evaluation of aux_operators to every timestep.

Details and comments

The above is achieved by constructing the full circuit of a Trotterized time evolution within TrotterQRTE instead of (as was previously the case) in PauliEvolutionGate.
Previously, the number of timesteps was passed to the ProductFormula through the reps argument. PauliEvolutionGate was then called from TrotterQRTE to construct the full circuit corresponding to the full time evolution.
Instead, now TrotterQRTE accepts the argument num_timesteps (analogous to VarQTE). The PauliEvolutionGate is only used to construct a single repetition of a product formula circuit and these single-step evolution gates are chained together in TrotterQRTE.evolve.
This has two benefits:

parameter values (the time at the current timestep) can be bound to the Hamiltonian at every time step, allowing to the construction of evolution gates of time-dependent Hamiltonians.
aux_operators can be evaluated at every timestep, which is the natural application for any time evolution algorithm.

Since SparsePauliOp does not yet support parameter-assignments, parameter values are assigned to the Hamiltonian at each time step through the helper function _assign_parameters. For this purpose, this helper function was moved to a higher level in the hierarchy of the Algorithms module and the import in VarQTE was adapted.
In the future, a method SparsePauliOp.assign_parameters should be added.

…erization.TrotterQRTE with synthesis LieTrotter

…ormula-classes unchanged wrt main. Also added evaluation of auxiliary_operators at every time-step of TrotterQRTE

CLAassistant · 2023-02-10T10:56:33Z

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qiskit-bot · 2023-02-10T10:56:36Z

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Cryoris

Overall looks good, I left some comments below. The main suggestions are

keeping aux_ops_evaluated as is and instead introduce observables
don't change the product formula but apply it as the user supplied it

Could also add a releasenote for this new feature? 🙂

qiskit/algorithms/time_evolvers/trotterization/trotter_qrte.py

qiskit/synthesis/evolution/lie_trotter.py

test/python/algorithms/time_evolvers/test_trotter_qrte.py

Cryoris · 2023-02-10T12:04:58Z

test/python/algorithms/time_evolvers/test_trotter_qrte.py

+        )
+        estimator = Estimator()
+
+        expected_evolved_state = Statevector([0.90201212+0.12857871j, 0.05815816+0.40799421j])


Where are these numbers coming from? 🙂 Would it be possible to have a manual calculation as reference? 😄

qiskit/circuit/library/pauli_evolution.py

qiskit/algorithms/time_evolvers/trotterization/trotter_qrte.py

woodsp-ibm · 2023-02-10T15:09:40Z

One more of a procedural comment is that ideally the copyright dates on these changed files should be updated for 2023,

Eg (C) Copyright IBM 2021, 2022. would become (C) Copyright IBM 2021, 2023. where the last date of copyright is changed to the current year - the format is first date, last date but is they are the same its just put once. So if its a single date now, and not 2023, eg (C) Copyright IBM 2021. it would become (C) Copyright IBM 2021, 2023.

…l calculation of reference values

qiskit/algorithms/time_evolvers/trotterization/trotter_qrte.py

test/python/algorithms/time_evolvers/test_trotter_qrte.py

Co-authored-by: Julien Gacon <gaconju@gmail.com>

…lse, copies parameter array and returns new bound array leaving the passed array untouched

Cryoris

LGTM, thanks for adding these features!

coveralls · 2023-02-13T18:36:52Z

Pull Request Test Coverage Report for Build 4164041180

47 of 50 (94.0%) changed or added relevant lines in 4 files are covered.
3 unchanged lines in 2 files lost coverage.
Overall coverage decreased (-0.002%) to 85.272%

Changes Missing Coverage	Covered Lines	Changed/Added Lines	%
qiskit/algorithms/utils/assign_params.py	8	9	88.89%
qiskit/algorithms/time_evolvers/trotterization/trotter_qrte.py	34	36	94.44%

Files with Coverage Reduction	New Missed Lines	%
src/vf2_layout.rs	1	86.44%
qiskit/transpiler/passes/synthesis/unitary_synthesis.py	2	93.97%

Totals
Change from base Build 4162466886:	-0.002%
Covered Lines:	67267
Relevant Lines:	78885

💛 - Coveralls

…``TrotterQRTE`` (Qiskit#9565) * added support for t-dep Hamiltonian to algorithms.time_evolvers.trotterization.TrotterQRTE with synthesis LieTrotter * added support for t-dep Hamiltonians to TrotterQRTE, leaving ProductFormula-classes unchanged wrt main. Also added evaluation of auxiliary_operators at every time-step of TrotterQRTE * added support for t-dep Hamiltonians to TrotterQRTE, leaving ProductFormula-classes unchanged wrt main. Also added evaluation of auxiliary_operators at every time-step of TrotterQRTE * removed note that t-dep Hamiltonians are not supported * modified and added tests for t-dependent Hamiltonians in TrotterQRTE * added documentation * adapted code according to PR comments, refined tests to include manual calculation of reference values * rename new test * Update qiskit/algorithms/time_evolvers/trotterization/trotter_qrte.py Co-authored-by: Julien Gacon <gaconju@gmail.com> * Update qiskit/algorithms/time_evolvers/trotterization/trotter_qrte.py Co-authored-by: Julien Gacon <gaconju@gmail.com> * Update qiskit/algorithms/time_evolvers/trotterization/trotter_qrte.py Co-authored-by: Julien Gacon <gaconju@gmail.com> * Update qiskit/algorithms/time_evolvers/trotterization/trotter_qrte.py Co-authored-by: Julien Gacon <gaconju@gmail.com> * added inplace argument to assign_parameters._assign_parameters. If False, copies parameter array and returns new bound array leaving the passed array untouched * fixing ValueErrors in TimeEvolutionProblme and formatting * added release note * fix lint suggestions --------- Co-authored-by: Julien Gacon <gaconju@gmail.com>

noure-beep · 2023-06-10T13:16:58Z

i need i code about trotterization

…``TrotterQRTE`` (Qiskit#9565) * added support for t-dep Hamiltonian to algorithms.time_evolvers.trotterization.TrotterQRTE with synthesis LieTrotter * added support for t-dep Hamiltonians to TrotterQRTE, leaving ProductFormula-classes unchanged wrt main. Also added evaluation of auxiliary_operators at every time-step of TrotterQRTE * added support for t-dep Hamiltonians to TrotterQRTE, leaving ProductFormula-classes unchanged wrt main. Also added evaluation of auxiliary_operators at every time-step of TrotterQRTE * removed note that t-dep Hamiltonians are not supported * modified and added tests for t-dependent Hamiltonians in TrotterQRTE * added documentation * adapted code according to PR comments, refined tests to include manual calculation of reference values * rename new test * Update qiskit/algorithms/time_evolvers/trotterization/trotter_qrte.py Co-authored-by: Julien Gacon <gaconju@gmail.com> * Update qiskit/algorithms/time_evolvers/trotterization/trotter_qrte.py Co-authored-by: Julien Gacon <gaconju@gmail.com> * Update qiskit/algorithms/time_evolvers/trotterization/trotter_qrte.py Co-authored-by: Julien Gacon <gaconju@gmail.com> * Update qiskit/algorithms/time_evolvers/trotterization/trotter_qrte.py Co-authored-by: Julien Gacon <gaconju@gmail.com> * added inplace argument to assign_parameters._assign_parameters. If False, copies parameter array and returns new bound array leaving the passed array untouched * fixing ValueErrors in TimeEvolutionProblme and formatting * added release note * fix lint suggestions --------- Co-authored-by: Julien Gacon <gaconju@gmail.com>

…``TrotterQRTE`` (Qiskit/qiskit#9565) * added support for t-dep Hamiltonian to algorithms.time_evolvers.trotterization.TrotterQRTE with synthesis LieTrotter * added support for t-dep Hamiltonians to TrotterQRTE, leaving ProductFormula-classes unchanged wrt main. Also added evaluation of auxiliary_operators at every time-step of TrotterQRTE * added support for t-dep Hamiltonians to TrotterQRTE, leaving ProductFormula-classes unchanged wrt main. Also added evaluation of auxiliary_operators at every time-step of TrotterQRTE * removed note that t-dep Hamiltonians are not supported * modified and added tests for t-dependent Hamiltonians in TrotterQRTE * added documentation * adapted code according to PR comments, refined tests to include manual calculation of reference values * rename new test * Update qiskit/algorithms/time_evolvers/trotterization/trotter_qrte.py Co-authored-by: Julien Gacon <gaconju@gmail.com> * Update qiskit/algorithms/time_evolvers/trotterization/trotter_qrte.py Co-authored-by: Julien Gacon <gaconju@gmail.com> * Update qiskit/algorithms/time_evolvers/trotterization/trotter_qrte.py Co-authored-by: Julien Gacon <gaconju@gmail.com> * Update qiskit/algorithms/time_evolvers/trotterization/trotter_qrte.py Co-authored-by: Julien Gacon <gaconju@gmail.com> * added inplace argument to assign_parameters._assign_parameters. If False, copies parameter array and returns new bound array leaving the passed array untouched * fixing ValueErrors in TimeEvolutionProblme and formatting * added release note * fix lint suggestions --------- Co-authored-by: Julien Gacon <gaconju@gmail.com>

Durd3nT added 7 commits February 8, 2023 15:39

added support for t-dep Hamiltonian to algorithms.time_evolvers.trott…

c0d4e4e

…erization.TrotterQRTE with synthesis LieTrotter

added support for t-dep Hamiltonians to TrotterQRTE, leaving ProductF…

92fd85f

…ormula-classes unchanged wrt main. Also added evaluation of auxiliary_operators at every time-step of TrotterQRTE

added support for t-dep Hamiltonians to TrotterQRTE, leaving ProductF…

2fad74e

…ormula-classes unchanged wrt main. Also added evaluation of auxiliary_operators at every time-step of TrotterQRTE

removed note that t-dep Hamiltonians are not supported

b876269

modified and added tests for t-dependent Hamiltonians in TrotterQRTE

cbe938d

Merge branch 'main' into pf-t-dep

4f86c8f

added documentation

13f524a

Durd3nT requested review from a team, alexanderivrii, ShellyGarion, manoelmarques, woodsp-ibm and ElePT as code owners February 10, 2023 10:56

qiskit-bot added the Community PR PRs from contributors that are not 'members' of the Qiskit repo label Feb 10, 2023

Cryoris reviewed Feb 10, 2023

View reviewed changes

Cryoris added Changelog: New Feature Include in the "Added" section of the changelog mod: algorithms Related to the Algorithms module labels Feb 10, 2023

woodsp-ibm reviewed Feb 10, 2023

View reviewed changes

qiskit/algorithms/time_evolvers/trotterization/trotter_qrte.py Outdated Show resolved Hide resolved

Durd3nT added 2 commits February 10, 2023 17:43

adapted code according to PR comments, refined tests to include manua…

c7ca401

…l calculation of reference values

rename new test

64a4dc2

Cryoris reviewed Feb 10, 2023

View reviewed changes

Durd3nT and others added 6 commits February 10, 2023 21:44

Update qiskit/algorithms/time_evolvers/trotterization/trotter_qrte.py

c5ff9c6

Co-authored-by: Julien Gacon <gaconju@gmail.com>

Update qiskit/algorithms/time_evolvers/trotterization/trotter_qrte.py

dfe7769

Co-authored-by: Julien Gacon <gaconju@gmail.com>

Update qiskit/algorithms/time_evolvers/trotterization/trotter_qrte.py

ba6c4df

Co-authored-by: Julien Gacon <gaconju@gmail.com>

Update qiskit/algorithms/time_evolvers/trotterization/trotter_qrte.py

108dd70

Co-authored-by: Julien Gacon <gaconju@gmail.com>

added inplace argument to assign_parameters._assign_parameters. If Fa…

d72a868

…lse, copies parameter array and returns new bound array leaving the passed array untouched

fixing ValueErrors in TimeEvolutionProblme and formatting

77b6a77

Cryoris changed the title ~~TrotterQRTE: support for time-dependent Hamiltonians and evaluate aux_ops at every time step~~ Support for time-dependent Hamiltonians and observable evaluation in TrotterQRTE Feb 13, 2023

Durd3nT added 3 commits February 13, 2023 13:58

Merge branch 'main' into pf-t-dep

2bf90ab

added release note

14ffe6c

fix lint suggestions

372cf28

Cryoris approved these changes Feb 13, 2023

View reviewed changes

Cryoris added the automerge label Feb 13, 2023

mergify bot merged commit 41e0c3a into Qiskit:main Feb 13, 2023

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Support for time-dependent Hamiltonians and observable evaluation in `TrotterQRTE` #9565

Support for time-dependent Hamiltonians and observable evaluation in `TrotterQRTE` #9565

Durd3nT commented Feb 10, 2023

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noure-beep commented Jun 10, 2023

Support for time-dependent Hamiltonians and observable evaluation in TrotterQRTE #9565

Support for time-dependent Hamiltonians and observable evaluation in TrotterQRTE #9565

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Durd3nT commented Feb 10, 2023

Summary

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coveralls commented Feb 13, 2023

Pull Request Test Coverage Report for Build 4164041180

💛 - Coveralls

noure-beep commented Jun 10, 2023

Support for time-dependent Hamiltonians and observable evaluation in `TrotterQRTE` #9565

Support for time-dependent Hamiltonians and observable evaluation in `TrotterQRTE` #9565

CLAassistant commented Feb 10, 2023 •

edited

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