Variational Quantum Time Evolution algorithm. #8152

dlasecki · 2022-06-08T16:03:04Z

Summary

This PR introduces Variational Quantum Time Evolution algorithms, imaginary and real, to the algorithms module. It uses variational principles: real McLachlan's, imaginary McLachlan's and real Time Dependent. It is part of the bigger framework for Quantum Time Evolution and implements the relevant interface.

The work is based on the PoC by @Zoufalc which has been significantly redesigned. The correctness has been cross-checked with the PoC.

Relevant papers:
#7349 (comment)

It closes the following epic: #6838 and the following associated issues:

Closes: #6912,
Closes: #6913,
Closes: #6914,
Closes: #6915,
Closes: #6916,
Closes: #6931,
Closes: #7268,
Closes: #7070,
Closes: #7143,
Closes: #7639,
Closes: #7649,
Closes: #7577,
Closes: #7621.

... .

Details and comments

Things that will be addressed in separate PRs:

Calculating error bounds.
Implementation of the gradient() method in varqrte.py and varqite.py
Saving intermediate results to log files. Implement storing (intermediate) results in a file. (Quantum Time Evolution) #6935
Option for an error-based ODE function.

…o varqte

Updates on Class Documentation

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

…rs/evolution_grad_calculator.py Co-authored-by: Julien Gacon <gaconju@gmail.com>

…/gradient_errors/error_calculator.py Co-authored-by: Julien Gacon <gaconju@gmail.com>

dlasecki · 2022-08-08T05:48:26Z

Unit test values have been verified for metric tensor and evolution gradient using independent methods. Thank you @Zoufalc for preparing the notebook for that.
Linear solver results have been verified as described in review comments above.

Cryoris

I played with it a little today and it works nicely! I left some comments below that I think are quick to do and would improve the usage a lot. The one thing that didn't work well was using e.g. "RK45" as an ODE solver, which ran forever (even for a 2 qubit problem). But not sure if there's anything we can do about that.

Also I think it would be really important to add the ability to store observables during the time evolution before the 0.22 release 🙂

qiskit/algorithms/evolvers/variational/var_qrte.py

qiskit/algorithms/evolvers/evolution_problem.py

qiskit/algorithms/evolvers/variational/var_qrte.py

qiskit/algorithms/evolvers/variational/variational_principles/real_mc_lachlan_principle.py

qiskit/algorithms/evolvers/variational/var_qte.py

qiskit/algorithms/evolvers/variational/solvers/ode/var_qte_ode_solver.py

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

qiskit/algorithms/evolvers/variational/var_qrte.py

woodsp-ibm · 2022-08-17T21:24:27Z

qiskit/algorithms/evolvers/variational/var_qite.py

@@ -72,7 +72,7 @@ def __init__(
        self,
        ansatz: Union[OperatorBase, QuantumCircuit],
        variational_principle: Optional[ImaginaryVariationalPrinciple] = None,
-        ansatz_init_param_values: Optional[
+        initial_parameters: Optional[


I was wondering why I did not see this change show up in tests and say example above. In these it seems the parameters are always passed positionally.

woodsp-ibm

I think we are there, all looks good to me - thanks for all the hard work, responding and acting on review comments etc.

Cryoris

Thanks a lot for all the effort! 🙂

* Fixed requirements-dev.txt * Fixed some pylint. * Fixed some pylint. * Update Documentation variational principles * updates documentation * minor documentation * Added unit tests docs and some package docs. * Code refactoring. * Code refactoring. * Code refactoring. * Update qiskit/opflow/evolutions/pauli_trotter_evolution.py Co-authored-by: Julien Gacon <gaconju@gmail.com> * Renamed the main folder. * Code refactoring. * Update qiskit/algorithms/quantum_time_evolution/variational/calculators/evolution_grad_calculator.py Co-authored-by: Julien Gacon <gaconju@gmail.com> * Code refactoring. * Update qiskit/algorithms/time_evolution/variational/error_calculators/gradient_errors/error_calculator.py Co-authored-by: Julien Gacon <gaconju@gmail.com> * Code refactoring. * Lint fixes. * Code refactoring. * Code refactoring. * Code refactoring. * Code refactoring. * Code refactoring, docs fixed. * Code refactoring, docs fixed. * Code refactoring and docs improved. * Exposed optimizer tolerance as an argument. * Exposed allowed imaginary part as an argument. * Exposed allowed numerical instability as an argument. * Code refactoring. * Introduced evolution_result.py class. * Minor bugfix. * Integrated evolution result to VarQte algorithms. * Code refactoring. * Black formatting fix. * Fixed signatures. * Fixed random seed setup. * Fixed too long lines. * Deleted unnecessary files. * Some fixes in test_gradients.py * Copyright date updated. * Refactored getting rid of flags. * Updated unit tests after refactoring. * Removed a duplicated argument. * Implemented general Quantum Time Evolution Framework interfaces. * Updated docs. * Reno added. * Improved reno. * Code refactoring. * Code refactoring. * Typehints added. * Made variational_principle.py stateless. * Updated copyright years. * Simplified var_qte.py class. * Refactored var_qte_linear_solver.py * Refactored abstract_ode_function_generator.py * Refactored var_qte_linear_solver.py * Refactored var_qte.py * Code formatting. * ODE solvers and optimizers as objects, not strings. * 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. * Removed error_based_ode_function_generator.py for MVP. * Code refactoring * Code refactoring * Code refactoring * Code refactoring * Code refactoring * Code review changes. * Removed gradient code for now. * Evolving observable removed. Evaluating observables added. * 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. * Code refactoring. * Code refactoring. * Fixed cyclic imports. * Name fix. * Updated the algorithm to the latest version of interfaces. * Code refactoring. * Adapted unit tests to evolution problem. * Implemented aux_ops evaluation. * Fixed position of quantum_instance. * Added algorithms to algorithms init. * Imports refactoring. * Imports refactoring. * Updated code to the latest gradient framework. * Code refactoring. * Imports refactoring. * Added gradient files. * Code review addressed. Fixed tests. * Switched to 1 sampler. * Added unit tests for expected errors. * Improved docs. * Changed folder structure. * Added test_evolution_grad_calculator.py unit test with bases. * Updated interfaces. * Added VarQite unit test with aux ops. * Added VarQite unit test with aux ops. * Added VarQrte unit test with aux ops. * Update releasenotes/notes/add-variational-quantum-time-evolution-112ffeaf62782fea.yaml Co-authored-by: Steve Wood <40241007+woodsp-ibm@users.noreply.github.com> * Code refactoring. * Code refactoring. * Code refactoring. * Improved docs of variational principles. * Code refactoring. * Code refactoring. * Simplified var principles folder structure. * Opened VarQte algorithms for field modification. * Improved Sphinx docs. * Code refactoring. * Introduced ode_function_factory.py * Removed hardcoded rcond. * Renamed hamiltonian_value_dict. * Renamed hamiltonian_value_dict. * Extracted lengthy expected results in tests. * Updated unit tests. * Apply suggestions from code review Co-authored-by: Julien Gacon <gaconju@gmail.com> * Apply suggestions from code review * Extended release notes. * Removed dead code. * Improved ode solver types. * Moved evolve method for now. * Shortened Var Principles names. * Updated metric_tensor_calculator.py * Updated docs * Removed ordered_parameters. * Added and corrected code examples. * Extended unit tests. * Extended unit tests. * Extended unit tests. * Improved init files. * Improved init files. * Improved init files. * Improved init files. * Improved docs. * Import fix * Renamed sle to lse. * Code refactoring. * Replaced metric tensor calculator. * Replaced evolution gradient calculator. * Code refactoring. * Removed evolution_grad_calculator.py * Removed evolution_grad_calculator.py * Evolution grad calculator removal; code refactoring; dirty bug fix. * Added docs. * Code refactoring * Improved performance of evolution grad. * Improved performance of evolution grad, code refactoring; bug fixed. * Improved LSE solver handling. * Improved docs. * Unindented reno * Mitigated some cyclic imports. * Unindented reno * Improved docs * Lint resolutions * Fix some line-too-long in tests * Fixed lint. * Fixed lint. * Apply suggestions from code review Co-authored-by: Julien Gacon <gaconju@gmail.com> * Code review changes. * Added reno for a bug fix. * Fixed lint. * Updated docs. * Moved lse_solver to ODE factory. * Made ODE factory optional and defaults set. * Added expectation method argument and set defaults to PauliExpectation. * Limited supported methods for real_time_dependent_principle.py. * Fix imports. * Updated docs. * Implemented the Forward Euler ODE solver. Implemented a unit test. * Set Forward Euler ODE solver as a default. Updated unit tests. * Sync with main. * Exposed ODE number of steps. * Code refactoring * Code refactoring * Code refactoring * Exposed ode_num_t_steps to the user; reduced default ode_num_t_steps; added ForwardEulerSolver to docs. * Updated tests. * Fixed CI. * Fixed docs. * Hides OdeFunction from the user. * Update qiskit/algorithms/evolvers/variational/var_qrte.py Co-authored-by: Julien Gacon <gaconju@gmail.com> * Update releasenotes/notes/add-variational-quantum-time-evolution-112ffeaf62782fea.yaml Co-authored-by: Julien Gacon <gaconju@gmail.com> * Removes unsupported error-based method flag for now. * Switched num time steps to deltas in ODEs. * Code refactoring. * Fixed typhint. * Switched back to num_steps for ODE. * Slow tests and code refactoring. * Code refactoring. * Removed TD variational principle. * Apply suggestions from code review Co-authored-by: Julien Gacon <gaconju@gmail.com> * Code refactoring. * Improved signatures; support for list of parameter values. * Code refactoring. * Improved variable name. * Updated docs. Co-authored-by: CZ <ouf@zurich.ibm.com> Co-authored-by: Julien Gacon <gaconju@gmail.com> Co-authored-by: Steve Wood <40241007+woodsp-ibm@users.noreply.github.com> Co-authored-by: woodsp-ibm <woodsp@us.ibm.com> Co-authored-by: mergify[bot] <37929162+mergify[bot]@users.noreply.github.com>

Dariusz Lasecki and others added 30 commits December 10, 2021 10:29

Fixed requirements-dev.txt

1b73d17

Merge branch 'varqte' of https://github.com/dlasecki/qiskit-terra int…

6b34b7b

…o varqte

Merge branch 'main' into varqte

3cf948f

Fixed some pylint.

41f3347

Merge remote-tracking branch 'origin/varqte' into varqte

0ee0d7f

Fixed some pylint.

d90262d

Update Documentation variational principles

49402ec

updates documentation

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minor documentation

1e19a9a

Merge pull request #6 from Zoufalc/dal_varqte

d12c086

Updates on Class Documentation

Added unit tests docs and some package docs.

9db8777

Code refactoring.

6626244

Code refactoring.

0853b63

Code refactoring.

df31b7d

Merge branch 'main' into varqte

7f75894

Update qiskit/opflow/evolutions/pauli_trotter_evolution.py

998c059

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

Renamed the main folder.

35c2bb5

Code refactoring.

b58c325

Update qiskit/algorithms/quantum_time_evolution/variational/calculato…

96a6739

…rs/evolution_grad_calculator.py Co-authored-by: Julien Gacon <gaconju@gmail.com>

Code refactoring.

dd2dbe3

Merge remote-tracking branch 'origin/varqte' into varqte

70dd674

Update qiskit/algorithms/time_evolution/variational/error_calculators…

8c5cd26

…/gradient_errors/error_calculator.py Co-authored-by: Julien Gacon <gaconju@gmail.com>

Code refactoring.

af9c0cd

Lint fixes.

2226f7a

Code refactoring.

7da0b4e

Code refactoring.

d6a503b

Code refactoring.

8781473

Merge branch 'main' into varqte

b097ccb

Code refactoring.

0652516

Code refactoring, docs fixed.

7f188a2

Dariusz Lasecki added 8 commits August 2, 2022 07:26

Merge branch 'main' into varqte-mvp-2

c9cb9d3

Merge remote-tracking branch 'origin/varqte-mvp-2' into varqte-mvp-2

feaa933

Fixed typhint.

13ac037

Switched back to num_steps for ODE.

cd11ade

Slow tests and code refactoring.

e930d1c

Code refactoring.

8ea3182

Merge branch 'main' into varqte-mvp-2

a6224d3

Removed TD variational principle.

77f30ca

Cryoris reviewed Aug 11, 2022

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dlasecki and others added 5 commits August 11, 2022 16:51

Apply suggestions from code review

4fc27a1

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

Code refactoring.

4566012

Merge branch 'main' into varqte-mvp-2

adc557d

Improved signatures; support for list of parameter values.

23c0de2

Merge branch 'main' into varqte-mvp-2

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woodsp-ibm reviewed Aug 12, 2022

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Dariusz Lasecki added 5 commits August 14, 2022 09:28

Code refactoring.

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Merge remote-tracking branch 'origin/varqte-mvp-2' into varqte-mvp-2

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Improved variable name.

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Updated docs.

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Merge branch 'main' into varqte-mvp-2

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Variational Quantum Time Evolution algorithm. #8152

Variational Quantum Time Evolution algorithm. #8152

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Variational Quantum Time Evolution algorithm. #8152

Variational Quantum Time Evolution algorithm. #8152

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