Numerical Integration methods for real and imaginary time evolution. #8399

MarcDrudis · 2022-07-26T07:44:26Z

This addresses #8342.
The goal of this PR is to implement 2 classes that inherit from RealEvolver and ImaginaryEvolver and solve the time evolution of a state using classical methods.
Both classes will be very similar, but the RealEvolver will use a biconjugate gradient descent method to make each step (this allows the step evolution operator to be unitary) and for the ImaginaryEvolver a taylor expansion of the time evolution operator will be used at each timestep (and the state renormalized).

The user can specify a list, or dictionary, of observables and their expectancy value will be computed at each timestep and returned as a list or a dictionary respectively.

Lastly, there is a method that allows to estimate the number of timesteps needed to reach a certain error threshold given the norm of the hamiltonian to evolve under. I am not completely sure if this feature is over complicating the interface unnecessarily, so let me know what you think about it. Basically it consists on taking the next taylor expansion term and using it to compute the minimum ammount of timesteps necessary to yield a given error.

This reverts commit 871f29e.

qiskit-bot · 2022-07-26T07:44:29Z

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…qiskit-terra into QuantumTimeEvolution

dlasecki

Left first part of feedback. Perhaps we could introduce an abstract parent class to reduce code duplication.

qiskit/algorithms/__init__.py

qiskit/algorithms/evolvers/classical_methods/scipy_imaginary_evolver.py

qiskit/algorithms/evolvers/classical_methods/scipy_real_evolver.py

Cryoris

Some comments (mainly about docs and the tests) I only left for the imaginary classes but they do also apply for the real classes 🙂

qiskit/algorithms/evolvers/classical_methods/scipy_imaginary_evolver.py

test/python/algorithms/evolvers/classical_methods/test_scipy_imaginary_evolver.py

test/python/algorithms/evolvers/classical_methods/test_scipy_real_evolver.py

…qiskit-terra into QuantumTimeEvolution

qiskit/algorithms/time_evolvers/time_evolution_result.py

…qiskit-terra into QuantumTimeEvolution

dlasecki

Thanks for the good work.

qiskit/algorithms/time_evolvers/time_evolution_result.py

Cryoris

Minor comments, the main one is on the naming of the timesteps 🙂

qiskit/algorithms/time_evolvers/classical_methods/evolve.py

qiskit/algorithms/time_evolvers/classical_methods/scipy_imaginary_evolver.py

qiskit/algorithms/time_evolvers/classical_methods/scipy_real_evolver.py

releasenotes/notes/scipy-evolvers-ca92bcb90e90b035.yaml

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

Cryoris

LGTM thanks for this great feature!

Cryoris · 2022-12-15T08:50:48Z

@Mergifyio requeue

mergify · 2022-12-15T08:51:22Z

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…iskit#8399) * All Changes so far * Revert "All Changes so far" This reverts commit 871f29e. * Quantum Time Evolution * operators and frob norm * fro norm * Changes * changes * Added history * Removed files and fixed lint * Changed name * fixed accuracy associated to bicg * Changed imaginary * Fixed output for observables * version * changes * Comments Part 1 * make black * Changed output observalbes * Changed to taylor expansion * black * Documentation * black * Some comments * redesign * changes * restore evolvers * unittest redoing path * make black * Fixed docs? * Fixed issue with scipy1.7.3 * Delete 1.8 * Review * Deleted opflow * times documentation T_ev_result * Added example to reno * Julien review * Update releasenotes/notes/scipy-evolvers-ca92bcb90e90b035.yaml * Update releasenotes/notes/scipy-evolvers-ca92bcb90e90b035.yaml Co-authored-by: Julien Gacon <gaconju@gmail.com> * observable in reno Co-authored-by: Julien Gacon <gaconju@gmail.com> Co-authored-by: mergify[bot] <37929162+mergify[bot]@users.noreply.github.com>

…iskit/qiskit#8399) * All Changes so far * Revert "All Changes so far" This reverts commit 871f29ef540d3d5f93e3ffb5bee17295b3d4d65c. * Quantum Time Evolution * operators and frob norm * fro norm * Changes * changes * Added history * Removed files and fixed lint * Changed name * fixed accuracy associated to bicg * Changed imaginary * Fixed output for observables * version * changes * Comments Part 1 * make black * Changed output observalbes * Changed to taylor expansion * black * Documentation * black * Some comments * redesign * changes * restore evolvers * unittest redoing path * make black * Fixed docs? * Fixed issue with scipy1.7.3 * Delete 1.8 * Review * Deleted opflow * times documentation T_ev_result * Added example to reno * Julien review * Update releasenotes/notes/scipy-evolvers-ca92bcb90e90b035.yaml * Update releasenotes/notes/scipy-evolvers-ca92bcb90e90b035.yaml Co-authored-by: Julien Gacon <gaconju@gmail.com> * observable in reno Co-authored-by: Julien Gacon <gaconju@gmail.com> Co-authored-by: mergify[bot] <37929162+mergify[bot]@users.noreply.github.com>

MarcDrudis and others added 11 commits June 13, 2022 14:50

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This reverts commit 871f29e.

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Quantum Time Evolution

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MarcDrudis added 5 commits July 26, 2022 12:28

Removed files and fixed lint

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Merge branch 'QuantumTimeEvolution' of https://github.com/MarcDrudis/…

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version

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make black

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times documentation T_ev_result

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

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Numerical Integration methods for real and imaginary time evolution. #8399

Numerical Integration methods for real and imaginary time evolution. #8399

MarcDrudis commented Jul 26, 2022 •

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Numerical Integration methods for real and imaginary time evolution. #8399

Numerical Integration methods for real and imaginary time evolution. #8399

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Cryoris commented Dec 15, 2022

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