Add Phase of Matter quantum dataset generator#1044
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Implements phase_of_matter_data() as a new dataset in qiskit_machine_learning/datasets/phase_of_matter/: - Four spin-chain Hamiltonians built via SparsePauliOp (no extra deps): heisenberg (trivial/topological), haldane (afm/paramagnetic/spt), annni (ferromagnetic/paramagnetic/floating/antiphase), cluster (haldane/ferromagnetic/antiferromagnetic/trivial) - Exact ground states via scipy.sparse.linalg.eigsh (default) - Optional VQE pathway for hardware-experiment workflows - Follows existing dataset API: training_size, test_size, one_hot, formatting, class_labels, include_sample_total, seed, backend - 55-test suite covering Hermiticity, normalization, eigenstate residuals, phase label coverage, shape contracts, reproducibility Reference: Bermejo-Vega et al., arXiv:2408.12739 (2024)
rogue-infinity
requested review from
OkuyanBoga,
adekusar-drl and
oscar-wallis
as code owners
- Add STFC copyright header to all 8 new files - Rename variable H -> ham throughout (C0103 invalid-name) - Add docstrings to all test methods (C0116 missing-function-docstring) - Move 'from test import' before third-party imports (C0411 wrong-import-order) - Add :type backend: object to fix W9016 missing-type-doc in two functions - Replace British spellings with American: normalised, optimisation, mislabelled - Replace Greek chars in inline comments with ASCII equivalents - Add Callable type annotation to _fixed_hamiltonian to fix mypy operator error - Add domain-specific words to .pylintdict for spell check
- Add rng, geq, ddt, idata, atol, eigh, zxz, simulatable to .pylintdict - Fix neighbour/favour -> neighbor/favor in _haldane.py - Fix parameterised/honoured -> parameterized/honored in test file - Reword 'RNG' -> 'random number generator' in phase_of_matter.py docstring - Fix Simulable -> Simulatable in paper reference - Fix W9016: use 'backend (object):' Google-style in both _base.py and phase_of_matter.py; remove incorrect ':type backend:' RST lines - Add '# doctest: +SKIP' to docstring examples (consistent with existing datasets which have no running doctests) - Replace 'atol' param name with 'tol' in _is_hermitian helper - Replace 'ZXZ' in comment with 'Z-X-Z' - Reword 'namespace' and 'eigh' references in test docstrings
The sphinx LowercaseFilter downcases checked words before dict lookup, so dictionary entries must be lowercase. Bermejo and Simulatable were capitalised, causing sphinx-build -M spelling to fail despite pylint spell check passing.
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@OkuyanBoga @adekusar-drl @oscar-wallis Awaiting your response on this! |
Coverage Report for CI Build 25775720082Coverage increased (+0.1%) to 89.802%Details
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Coverage RegressionsNo coverage regressions found. Coverage Stats
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@OkuyanBoga, all the tests passed successfully, could you please go through the PR and let me know any modifications/ suggestions/ additions need to be made? |
OkuyanBoga
added
Changelog: New Feature
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Summary
phase_of_matter_data()toqiskit_machine_learning/datasets/as a new sub-packagephase_of_matter/"heisenberg"- Bond-alternating XXX Heisenberg: phases trivial / topological"haldane"- Haldane chain: phases antiferromagnetic / paramagnetic / spt"annni"- Axial Next-Nearest-Neighbor Ising: phases ferromagnetic / paramagnetic / floating / antiphase"cluster"- Cluster Hamiltonian (periodic BC): phases haldane / ferromagnetic / antiferromagnetic / trivialscipy.sparse.linalg.eigsh(exact diagonalization, default). Optional VQE pathway available viabackend=argument for hardware-experiment workflowstraining_size,test_size,one_hot,formatting,class_labels,include_sample_total,seed,backend)Files changed
qiskit_machine_learning/datasets/phase_of_matter/__init__.pyqiskit_machine_learning/datasets/phase_of_matter/phase_of_matter.pyphase_of_matter_data()APIqiskit_machine_learning/datasets/phase_of_matter/_base.pypauli_term, exact diag, VQEqiskit_machine_learning/datasets/phase_of_matter/_heisenberg.pyqiskit_machine_learning/datasets/phase_of_matter/_haldane.pyqiskit_machine_learning/datasets/phase_of_matter/_annni.pyqiskit_machine_learning/datasets/phase_of_matter/_cluster.pyqiskit_machine_learning/datasets/__init__.pyphase_of_matter_datatest/datasets/test_phase_of_matter.pyTest plan
pytest test/datasets/test_phase_of_matter.py, 55 tests covering Hermiticity of all Hamiltonians, ground-state normalization, eigenstate residuals, phase label coverage for all models, API shape contracts, seed reproducibility, and error handlingUsage example