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Refactor _evaluate_gradient for param_shift #5666

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merged 35 commits into from
May 24, 2024

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dwierichs
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@dwierichs dwierichs commented May 7, 2024

Context:
param_shift uses the internal method _evaluate_gradient, which mostly consists of logic to take the contraction of tape execution results with the parameter-shift rule coefficients and map it over tuple axes. It also needs to respect batching of execution results if broadcast=True is used in param_shift.

Description of the Change:
This PR cleans up _evaluate_gradient, extends it to multi-measurement and shot vector scenarios when broadcasting is used, and recycles helper methods from gradient_transform.py to reduce the code.
We also add unit tests for this method, allowing to reduce integration test count in the future.

Benefits:
Prepare _evaluate_gradient for multi-measurement and shot vector support with broadcast=True.
Improve testing and code quality.

Possible Drawbacks:

Related GitHub Issues:
prepares a bug fix for #5598

[sc-62283]

mudit2812 and others added 22 commits April 29, 2024 16:01
As name says.

---------

Co-authored-by: Astral Cai <astral.cai@xanadu.ai>
**Context:**
Some newly added test cases failing with legacy opmath

**Description of the Change:**
Skip these tests if new opmath is disabled:
`test_measure_identity_no_wires` in
`tests/devices/qubit/test_measure.py`
`test_identity_on_no_wires_with_other_observables` in
`tests/devices/qubit/test_sampling.py`
`test_observables_on_no_wires_coeffs` in
`tests/pauli/grouping/test_pauli_group_observables.py`
`test_multiple_hamiltonian_expansion_finite_shots` in
`tests/test_qnode_legacy.py`

**Related Shortcut Issues:**
[sc-62144]
[sc-62143]
**Context:**
1. `Hamiltonian` does not remove ops from queue if `simplify=True`
2. `TrotterProduct` does not remove `Hamiltonian`

**Description of the Change:**
Manually dequeue said ops

**Related Shortcut Issues:**
[sc-62142]

---------

Co-authored-by: Mudit Pandey <mudit.pandey@xanadu.ai>
### Before submitting

Please complete the following checklist when submitting a PR:

- [x] All new features must include a unit test.
If you've fixed a bug or added code that should be tested, add a test to
the
      test directory!

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documented.
If you do make documentation changes, make sure that the docs build and
      render correctly by running `make docs`.

- [x] Ensure that the test suite passes, by running `make test`.

- [x] Add a new entry to the `doc/releases/changelog-dev.md` file,
summarizing the
      change, and including a link back to the PR.

- [x] The PennyLane source code conforms to
      [PEP8 standards](https://www.python.org/dev/peps/pep-0008/).
We check all of our code against [Pylint](https://www.pylint.org/).
      To lint modified files, simply `pip install pylint`, and then
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------------------------------------------------------------------------------------------------------------

**Context:**
`qml.counts` does not return the same `keys` with `dynamic_one_shot` and
`defer_measurements`.

**Description of the Change:**
Cast `keys` to the type produced by `concretize`.

**Benefits:**
Consistent `keys`.

**Possible Drawbacks:**
Slight (likely unnoticeable) performance decrease since `NDArray` object
cannot be preallocated.

**Related GitHub Issues:**
#5566

---------

Co-authored-by: David Wierichs <david.wierichs@xanadu.ai>
- [x] Fix last open bug or open issue


**Context:**
Docs get out of sync over time.
In particular, the output shape of gradient transforms applied to QNodes
was changed in #4945 but not updated in the docs.

**Description of the Change:**
Update examples in docs of `qml.gradients` module.

Also updates the `qml.kernels` docs, with a few very small changes.

**Benefits:**

**Possible Drawbacks:**

**Related GitHub Issues:**
2 very minor corrections to documentation added in this release
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codecov bot commented May 8, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 99.67%. Comparing base (85ff62b) to head (9304392).
Report is 1 commits behind head on master.

Additional details and impacted files
@@            Coverage Diff             @@
##           master    #5666      +/-   ##
==========================================
- Coverage   99.68%   99.67%   -0.01%     
==========================================
  Files         416      416              
  Lines       39055    38757     -298     
==========================================
- Hits        38931    38632     -299     
- Misses        124      125       +1     

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

@dwierichs dwierichs added the review-ready 👌 PRs which are ready for review by someone from the core team. label May 13, 2024
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Very thorough with all the scenarios, LGTM!

@albi3ro albi3ro self-requested a review May 16, 2024 17:36
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A little difficult to keep track of what things should be what shapes where, but I think that's just a byproduct of our choice of result specification.

At the end of the day, tests pass and all individual chunks make sense.

@dwierichs dwierichs enabled auto-merge (squash) May 22, 2024 21:34
@dwierichs dwierichs added merge-ready ✔️ All tests pass and the PR is ready to be merged. and removed review-ready 👌 PRs which are ready for review by someone from the core team. labels May 23, 2024
@dwierichs dwierichs merged commit 58668d7 into master May 24, 2024
38 checks passed
@dwierichs dwierichs deleted the refactor-evaluate_gradient branch May 24, 2024 10:59
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6 participants