Trotterization-based Quantum Real Time Evolution #7411

dlasecki · 2021-12-14T16:09:42Z

Summary

This PR introduces the Trotterization-based Quantum Real Time Evolution algorithm.

It is compliant with the new Quantum Time Evolution Framework.
It makes use of recent ProductFormula and PauliEvolutionGate implementations.
It is meant to replace current Trotterization implementation in Qiskit Terra. It provides the same functionalities.

It closes the following epic:

closes Implement Trotterization in new design of Quantum Time Evolution and using EvolutionGate, ProductFormula. #7043.
And includes the following issue:
closes Integrate migrated Trotterization with ProductFormula and EvolutionGate. #7044.
And also:
closes Efficient implementation of exp(iHt) for an arbitrary hermitian matrix H #5729

Details and comments

There are still some minor TODOs indicated in the code:

Add unit tests for some private helper functions.
Address a problem that causes probabilistic results in one unit test. (it seems to be originating from the custom observable and the order in which it is calculated).
Extend input validation to cover types: PauliOp and OperatorBase and their dependence on parameters.
Add docs for the package.
Add a release note.

The replacement of current Trotter algorithms (in places where they are used) by this algorithm will happen in a separate PR.

To allow time-dependent Hamiltonians supported in this PR, there will be a separate PR prepared. Currently, an error message is thrown in case of time-dependent Hamiltonians.

# Conflicts: # qiskit/opflow/primitive_ops/primitive_op.py

…re-trotter-qrte-2

qiskit/algorithms/evolvers/trotterization/trotter_qrte.py

qiskit/algorithms/evolvers/evolution_problem.py

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

qiskit/algorithms/evolvers/evolution_problem.py

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

Cryoris

In the initializer we can currently set the attributes to None but the getters and setters typehints indicate that a value is always returned. Could we make the getters and setters consistent and indicate that also None can be returned? Probably the getter typehints should then also support None 🙂

qiskit/algorithms/evolvers/trotterization/trotter_qrte.py

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

qiskit/algorithms/evolvers/trotterization/trotter_qrte.py

* Introduced time evolution classes and interfaces. * Migrated trotterization as trotterization builder. * Implemented enum for trotterization mode; fixed imports. * Implemented trotter_qrte.py with unit tests. * trotter_qrte.py repetitions added. * Code refactoring. * Code refactoring. * Gradient object introduced in a signature. * Draft of trotter_qrte.py gradient with unit tests. * trotter_qrte.py improvements; unit tests extended. * trotter_qrte.py improvements; unit tests extended. * Trotter test fix. * Fixed float and complex handling. * qrte with product formula * Removed irrelevant files. * Removed irrelevant files. * Extended docs. * Removed outdated unit tests. * Removed outdated files. * Code refactoring, docs extended. * Code refactoring. * Updated unit tests. * Code refactoring, extended docs and typehints. * Reno added. * Extended checks and unit tests. * Code refactoring. * Code refactoring. * fix problem with test * Docs extended. * Added support for PauliOp, code refactoring. * Implemented general Quantum Time Evolution Framework interfaces. * Updated docs. * Reno added. * Improved reno. * Code refactoring. * Update qiskit/algorithms/time_evolution/evolution_base.py Co-authored-by: Julien Gacon <gaconju@gmail.com> * Code refactoring. * Introduced evolution problem classes. * Code refactoring. * Apply suggestions from code review Co-authored-by: Julien Gacon <gaconju@gmail.com> * Added unit tests. * Lint fixed. * Code refactoring * Code refactoring * Code refactoring * Code refactoring * Code refactoring * Code refactoring * Code review changes. * Removed gradient code for now. * Code review refactoring. * Removed gradient code for now. * Evolving observable removed. Evaluating observables added. * Code refactoring. * Improved naming. * Improved folder structure; filled evolvers init file. * Added Evolvers to algorithms init file. * Fixed missing imports. * Code refactoring * Fixed cyclic imports. * Extracted ListOrDict. * Code refactoring. * Code refactoring. * Fixed release note. * Fixed inheritance order. * Updated code to the latest time evolution interface. * Code refactoring. * Code refactoring. * Code refactoring. * Fixed cyclic imports. * Fixed pylint. * Name fix. * Import fix. * Lint fix. * Lint fix. * Code refactoring. * Extracted and refactored aux_ops_evaluator.py * Code refactoring * Implemented unit test. * Extended unit test. * Date fixed. * Reno added. * Switched to bound ansatz. * Fix reno. * Added docs. * Refactored unit test. * Lint fixed. * Code review edits. * Added unit test cases for dicts. * Fixed reno reference. * Improved unit test. * Added quantum instance support. * Added support for aux_ops and unit test. * Fixed input object to eval_observables. * Fixed quantum_state types and conversion. * Fixed quantum_state types and conversion. * Fixed types and docs. * Code refactoring. * Lint fix. * Code refactoring. * Reno update. * Code refactoring. * Implemented some CR feedback. * evolution_problem.py fix * Removed trotter_ops_validator.py for now, extended unit tests, code refactoring. * Updated names of the algorithm. * Added support for QuantumCircuit input. Code refactoring. * Improved error handling in evolution_problem.py and unit tests added. * Code refactoring. * Cyclic import fix * Refactored evolution_problem.py * Refactored test_trotter_qrte.py * Removed global tolerance. * CI fix. * Code review fixes. * Code refactoring. * Prepared qasm unit test. * Removing state eval. * Refactored and updated tests. * Added qasm test for aux ops. * Added param binding test. * Added missing setters. * Updated unit tests. * Improved folder structure. * Updated interfaces. * Fix lint. * Removed legacy (soon) BaseBackend. * Updated copyright years. * Added example to reno. * Fixed reno. * Removed BaseOperator. * Code refactoring. * Imports fix. * Delayed parameters checks. * Update qiskit/algorithms/evolvers/evolution_problem.py Co-authored-by: Julien Gacon <gaconju@gmail.com> * Code refactoring. * Update qiskit/algorithms/evolvers/evolution_problem.py Co-authored-by: Julien Gacon <gaconju@gmail.com> * Update qiskit/algorithms/evolvers/trotterization/trotter_qrte.py Co-authored-by: Julien Gacon <gaconju@gmail.com> * Update qiskit/algorithms/evolvers/trotterization/trotter_qrte.py Co-authored-by: Julien Gacon <gaconju@gmail.com> * Update qiskit/algorithms/evolvers/trotterization/trotter_qrte.py Co-authored-by: Julien Gacon <gaconju@gmail.com> * Update qiskit/algorithms/evolvers/trotterization/trotter_qrte.py Co-authored-by: Julien Gacon <gaconju@gmail.com> * Update qiskit/algorithms/evolvers/trotterization/trotter_qrte.py Co-authored-by: Julien Gacon <gaconju@gmail.com> * Update qiskit/algorithms/evolvers/trotterization/trotter_qrte.py Co-authored-by: Julien Gacon <gaconju@gmail.com> * Update qiskit/algorithms/evolvers/trotterization/trotter_qrte.py Co-authored-by: Julien Gacon <gaconju@gmail.com> * Expectation might be None Co-authored-by: acv@zurich.ibm.com <acv@zurich.ibm.com> Co-authored-by: Julien Gacon <gaconju@gmail.com>

Dariusz Lasecki and others added 29 commits July 12, 2021 15:57

Introduced time evolution classes and interfaces.

3003178

Migrated trotterization as trotterization builder.

6d36cd0

Implemented enum for trotterization mode; fixed imports.

9f08963

Implemented trotter_qrte.py with unit tests.

a6aee58

trotter_qrte.py repetitions added.

162730d

Code refactoring.

81aa4f5

Code refactoring.

7ad3bdc

Gradient object introduced in a signature.

d92d49f

Draft of trotter_qrte.py gradient with unit tests.

ba9726c

trotter_qrte.py improvements; unit tests extended.

eb6935c

trotter_qrte.py improvements; unit tests extended.

6ae7d56

Merge branch 'main' into quantum-time-evo

1dc5742

Trotter test fix.

93fe39d

Fixed float and complex handling.

4a16874

Merge branch 'main' into quantum-time-evo

3868bcb

# Conflicts: # qiskit/opflow/primitive_ops/primitive_op.py

Merge branch 'main' into quantum-time-evo

5831cad

Merge branch 'main' into quantum-time-evo

405cdc4

qrte with product formula

5e1536e

Merge pull request #5 from anedumla/time_evolution

90bc1d0

Removed irrelevant files.

0312a4d

Removed irrelevant files.

e1a3b1b

Extended docs.

3f7bb8c

Removed outdated unit tests.

3534d61

Removed outdated files.

59a8f9a

Code refactoring, docs extended.

77d541e

Code refactoring.

655eb76

Merge branch 'main' into quantum-time-evo

850156f

Updated unit tests.

809d829

Code refactoring, extended docs and typehints.

7e71eae

dlasecki requested a review from Cryoris December 14, 2021 16:09

Dariusz Lasecki added 5 commits April 26, 2022 13:39

Merge remote-tracking branch 'origin/feature-trotter-qrte' into featu…

9e61bd9

…re-trotter-qrte-2

Imports fix.

5eba3e5

Merge branch 'main' into feature-trotter-qrte

cc2dfcb

Delayed parameters checks.

1f459bb

Merge remote-tracking branch 'origin/feature-trotter-qrte' into featu…

1bfa910

…re-trotter-qrte-2

Cryoris reviewed Apr 26, 2022

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dlasecki and others added 2 commits April 26, 2022 17:13

Update qiskit/algorithms/evolvers/evolution_problem.py

68a436e

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

Code refactoring.

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Update qiskit/algorithms/evolvers/evolution_problem.py

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

Cryoris added the Changelog: New Feature Include in the "Added" section of the changelog label Apr 26, 2022

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dlasecki and others added 8 commits April 26, 2022 23:26

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

40dde49

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

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

3d2f164

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

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

17bf7e9

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

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

2c3fc90

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

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

d976453

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

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

6e68f4d

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

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

a78dfa2

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

Merge branch 'main' into feature-trotter-qrte

fc6e318

Cryoris reviewed Apr 27, 2022

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Expectation might be None

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Cryoris approved these changes Apr 27, 2022

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Cryoris added the automerge label Apr 27, 2022

Merge branch 'main' into feature-trotter-qrte

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mergify bot merged commit 18b5a04 into Qiskit:main Apr 27, 2022

woodsp-ibm mentioned this pull request Sep 6, 2022

Time Evolution Framework with primitives. #8681

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Trotterization-based Quantum Real Time Evolution #7411

Trotterization-based Quantum Real Time Evolution #7411

dlasecki commented Dec 14, 2021 •

edited by Cryoris

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Trotterization-based Quantum Real Time Evolution #7411

Trotterization-based Quantum Real Time Evolution #7411

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dlasecki commented Dec 14, 2021 •

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