feat(propagator): ✨ read individual evolved coefficients by term - #337
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`evolved_operator` decodes the whole evolved operator: it enumerates the operator index, materialises a key per surviving term, and builds a term dictionary. `evolved_operator_coefficients` instead probes the index with the terms the caller names, so the decode costs one entry per term *requested* rather than one per term the operator carries. Reading a few amplitudes out of an evolved state (Schrodinger picture) is the motivating case. The graph contraction is unchanged, and still the dominant cost. Contracts: a term the operator does not carry reads back as 0; there is no atol, since the caller named the terms it wants and magnitude filtering would silently zero some of them; the result is positional; and it is rank-local, exactly as `evolved_operator` is. Terms must be canonical monomials, as the constructor's initial_operator keys must be. The engine keys terms by an order-insensitive bitset, so a raw `(1, 0)` would resolve to the row of `(0, 1)` and read back its coefficient without the anticommutation sign -- which a lookup has no coefficient of its own to carry. The Majorana front-end therefore validates raw sequences through `Majorana` rather than normalizing them; use `Majorana.from_unsorted` and apply the sign it returns. Under partitions each partition probes on its own master thread into its own vector, and the merge runs on the facade thread, matching how every other partition fan-out in the file collects its results. Assisted-by: Claude Opus 5 (1M context) <noreply@anthropic.com>
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The comments and docstrings added with the feature were outliers against their neighbours: the header block was 12 lines where the file's median doc block is 1 and its next-longest are 6 and 7, and `evolved_operator_coefficients` was 36 lines against a module median of 4. Cut to the contracts a reader cannot infer, dropping the worked examples and the reasoning that the docs page and the API reference already carry. The `_term_slots` hooks lose their `Raises:` sections -- they are private, so `gen_api_dump.py` never renders them, and the same raises were documented on the public method too. The evaluation page keeps the overview and defers the contract list to the API reference. No behaviour change. Assisted-by: Claude Opus 5 (1M context) <noreply@anthropic.com>
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Codecov Report✅ All modified and coverable lines are covered by tests. Additional details and impacted files@@ Coverage Diff @@
## main #337 +/- ##
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+ Coverage 97.73% 97.75% +0.01%
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Files 14 14
Lines 752 756 +4
Branches 101 101
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+ Hits 735 739 +4
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Partials 5 5
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Naming the rejected term keeps the `pytest.raises` body to a single call line, so the assertion reads as one statement. No change to what the test exercises. Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
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No actionable comments were generated in the recent review. 🎉 ℹ️ Recent review info⚙️ Run configurationConfiguration used: defaults Review profile: CHILL Plan: Advanced Run ID: 📒 Files selected for processing (10)
Included review availability: Your plan provides up to 10 included reviews per hour; 9 remain after this review. 📝 WalkthroughWalkthroughAdds ChangesEvolved operator coefficient probing
Priority: ➖ Normal Estimated code review effort: 3 (Moderate) | ~25 minutes Change: Feature Sequence Diagram(s)sequenceDiagram
participant PythonCaller
participant MonomialPropagator
participant TermEncoder
participant CppBinding
participant MPIRanks
PythonCaller->>MonomialPropagator: provide terms and parameters
MonomialPropagator->>TermEncoder: encode front-end terms
TermEncoder->>CppBinding: pass canonical index slots
CppBinding->>MPIRanks: contract graph and probe local rows
MPIRanks-->>CppBinding: return local coefficients
CppBinding-->>PythonCaller: return coefficients in query order
Merge Risk: 🔵 Low · up to This change adds a new API for selectively querying evolved-operator coefficients without enumerating all terms, matching the existing enumeration behavior verified in the reviewed tests. One narrow edge case remains: extremely small but legitimate coefficients (below about 5e-13) could be rounded down to exactly zero even though the feature is documented as not filtering by tolerance. This is unlikely to affect typical usage and has a straightforward fix, so it should not block merging but is worth addressing in a follow-up. 🚥 Pre-merge checks | ✅ 5✅ Passed checks (5 passed)
✨ Finishing Touches📝 Generate docstrings
🧪 Generate unit tests (beta)
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In `@cpp/monoprop/detail/monomial_propagator/MonomialPropagator.inl`:
- Around line 1211-1213: Remove the decimal rounding loop over coeff in the
coefficient-decoding path, returning the decoded coefficients from out unchanged
so valid small requested values are not converted to zero; leave the surrounding
behavior aligned with evolve_operator_terms only where it does not alter
coefficient values.
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cpp/include/monoprop/MonomialPropagator.hcpp/monoprop/detail/monomial_propagator/MonomialPropagator.inlcpp/tests/evolved_operator_coefficients_tests.cppdocs/content/docs/features/evaluation.mdxsrc/monoprop/bindings/binder.hsrc/monoprop/majorana_propagator.pysrc/monoprop/monomial_propagator.pysrc/monoprop/pauli_propagator.pytests/test_evolved_operator_coefficients.pytests/test_monoprop_mpi.py
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| A term the operator does not carry reads back as ``0``, and there is deliberately no | ||
| ``atol`` -- the caller named its terms, so magnitude filtering would silently zero some of | ||
| them. Terms must be canonical; for a Majorana product that is not, use | ||
| [Majorana.from_unsorted][monoprop.majorana.Majorana.from_unsorted] and apply the sign it | ||
| returns. A repeated term is answered once per occurrence. |
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Summary
evolved_operatordecodes the whole evolved operator: it enumerates the index, materialises a key per surviving term, and builds a term dictionary.evolved_operator_coefficientsprobes the index with the terms the caller names instead, so the decode costs one entry per term requested rather than one per term the operator carries. Reading a few amplitudes out of an evolved state (Schrödinger picture) is the motivating case. The graph contraction is unchanged and still dominant — this removes the per-surviving-term tail, not evolution cost.Contracts, all pinned by tests: an absent term reads back as
0; there is deliberately noatol, since the caller named its terms and magnitude filtering would silently zero some of them (threshold the result instead); the result is positional, and a repeated term is answered once per occurrence; the empty term agrees withevolved_operatorin both pictures —core_term()in Heisenberg, an ordinary index row in Schrödinger; and it is rank-local, exactly asevolved_operatoris.Terms must be canonical, as the constructor's
initial_operatorkeys must be. The engine keys terms by an order-insensitive bitset, so a raw(1, 0)would resolve to the row of(0, 1)and read back its coefficient without the anticommutation sign — which a lookup has no coefficient of its own to carry. Raw sequences are therefore validated throughMajoranarather than normalized; useMajorana.from_unsortedand apply the sign it returns.Changes
MonomialPropagator::evolved_operator_coefficients(parameters, terms), built on the operator index's group-prefetchfind_batchrather than afor_eachenumeration. Under partitions each partition probes on its own master thread into its own vector and the merge runs on the facade thread, as every other partition fan-out in the file does.evolved_operator_coefficients(terms, parameters=None), returning a complex NumPy array._term_slotsfront-end hook: Majorana indices forMajoranaPropagator(Majoranaterms, index tuples or index arrays, with non-canonical ones rejected), symplectic slots forPauliPropagator(Pauliterms). Cross-front-end terms raiseTypeError. It is a default rather than an abstract method, so a front-end that does not encode terms still constructs.evolved_operator(atol=0.0), covering both pictures crossed with 1/2/4 partitions. Partitioned Schrödinger is the only configuration where the identity is a hash-partitioned index row, so it is what exercises the empty key against the concurrent merge.test_evolved_operator_coefficients_is_rank_local: the ranks' answers sum to the serial result, plus a check that the split is real — counted against the terms each rank owns rather than its nonzero coefficients, which would drift if an owned term evolved to exactly zero.docs/content/docs/features/evaluation.mdx.Verification
274/274 C++
ctestand 611 Python tests pass locally, andprek run --all-filesis clean over this branch's files. The MPI leg was never executed: the dev environment is a serial build, sotest_evolved_operator_coefficients_is_rank_localis reviewed but unrun and CI's[mpi:on]lanes are its first real run. Branched from7101b33, whichmainhas since moved past, so a rebase before merge would be sensible.Checklist
docs/,CONTRIBUTING.md) if neededCHANGELOG/ release notes updated if applicable — N/A, the repository keeps no CHANGELOGAI/LLM disclosure
Summary by CodeRabbit
New Features
evolved_operator_coefficientsto retrieve selected evolved-operator coefficients without enumerating the full operator.Documentation