diff --git a/docs/reference/qutip.md b/docs/reference/qutip.md index 4ff4eb3..589041c 100644 --- a/docs/reference/qutip.md +++ b/docs/reference/qutip.md @@ -1 +1,19 @@ ::: oqd_trical.backend.qutip + +## Datastore output + +`QutipBackend.run(...)` returns an `oqd_dataschema.Datastore` with one +`"emulation"` group. The group stores `tspan`, `states`, and `final_state` as +HDF5-serializable datasets, plus run metadata in `attrs`. + +```python +backend = QutipBackend() +experiment, hilbert_space = backend.compile(circuit, fock_cutoff=4) +datastore = backend.run(experiment, hilbert_space, timestep=1e-7) + +emulation = datastore["emulation"] +tspan = emulation.tspan.data +states = emulation.states.data + +datastore.model_dump_hdf5("trical_run.h5") +``` diff --git a/pyproject.toml b/pyproject.toml index 4c0349e..483f686 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -33,6 +33,7 @@ dependencies = [ "scipy", "sympy", "qutip", + "oqd-dataschema", "oqd-core", "oqd-compiler-infrastructure", "dynamiqs>=0.3.1", @@ -59,6 +60,7 @@ fixable = ["ALL"] [tool.uv.sources] oqd-compiler-infrastructure = { git = "https://github.com/openquantumdesign/oqd-compiler-infrastructure" } oqd-core = { git = "https://github.com/openquantumdesign/oqd-core" } +oqd-dataschema = { git = "https://github.com/glasses666/oqd-dataschema", branch = "codex/unitaryhack-44-trical-group" } [dependency-groups] dev = ["jupyter>=1.1.1", "pre-commit>=4.1.0", "ruff>=0.9.6"] diff --git a/src/oqd_trical/backend/qutip/base.py b/src/oqd_trical/backend/qutip/base.py index 6f3a4f2..fcfe927 100644 --- a/src/oqd_trical/backend/qutip/base.py +++ b/src/oqd_trical/backend/qutip/base.py @@ -12,10 +12,14 @@ # See the License for the specific language governing permissions and # limitations under the License. +import json + +import numpy as np from oqd_compiler_infrastructure import Chain, Post, Pre from oqd_core.backend.base import BackendBase from oqd_core.compiler.atomic.canonicalize import canonicalize_atomic_circuit_factory from oqd_core.interface.atomic import AtomicCircuit +from oqd_dataschema import Dataset, Datastore, TrICalEmulatorDataGroup from oqd_trical.backend.qutip.codegen import QutipCodeGeneration from oqd_trical.backend.qutip.vm import QutipVM @@ -56,6 +60,51 @@ def __init__( self.solver = solver self.solver_options = solver_options + @staticmethod + def _qobj_to_array(state): + state_array = np.asarray(state.full(), dtype=np.complex128) + if state.isket: + return state_array.reshape(-1) + return state_array + + @staticmethod + def _metadata_attrs(result, timestep, solver): + hilbert_space = result["hilbert_space"] + hilbert_space_sizes = { + name: int(size) for name, size in hilbert_space.size.items() + } + fock_cutoff = { + name: size for name, size in hilbert_space_sizes.items() if name[0] == "P" + } + frame = result["frame"] + + return { + "backend": "qutip", + "solver": solver, + "timestep": float(timestep), + "hilbert_space": json.dumps(hilbert_space_sizes, sort_keys=True), + "fock_cutoff": json.dumps(fock_cutoff, sort_keys=True), + "frame": "none" if frame is None else "present", + "frame_type": "none" if frame is None else frame.__class__.__name__, + } + + @classmethod + def _result_to_datastore(cls, result, timestep, solver): + states = np.stack([cls._qobj_to_array(state) for state in result["states"]]) + final_state = cls._qobj_to_array(result["final_state"]) + tspan = np.asarray(result["tspan"], dtype=np.float64) + + return Datastore( + groups={ + "emulation": TrICalEmulatorDataGroup( + tspan=Dataset(data=tspan), + states=Dataset(data=states), + final_state=Dataset(data=final_state), + attrs=cls._metadata_attrs(result, timestep, solver), + ) + } + ) + def compile(self, circuit, fock_cutoff, *, relabel=True): """ Compiles a AtomicCircuit or AtomicEmulatorCircuit to a [`QutipExperiment`][oqd_trical.backend.qutip.interface.QutipExperiment]. @@ -127,7 +176,7 @@ def run(self, experiment, hilbert_space, timestep, *, initial_state=None): timestep (float): Timestep between tracked states of the evolution. Returns: - result (Dict[str,Any]): Result of execution of [`QutipExperiment`][oqd_trical.backend.qutip.interface.QutipExperiment]. + result (Datastore): Result of execution of [`QutipExperiment`][oqd_trical.backend.qutip.interface.QutipExperiment]. """ vm = Pre( QutipVM( @@ -141,4 +190,4 @@ def run(self, experiment, hilbert_space, timestep, *, initial_state=None): vm(experiment) - return vm.children[0].result + return self._result_to_datastore(vm.children[0].result, timestep, self.solver) diff --git a/tests/test_backends.py b/tests/test_backends.py index 5bbe884..a1e36ad 100644 --- a/tests/test_backends.py +++ b/tests/test_backends.py @@ -14,10 +14,14 @@ ######################################################################################## import dynamiqs as dq +import numpy as np import pytest import qutip as qt +from oqd_dataschema import Datastore, TrICalEmulatorDataGroup from oqd_trical.backend.dynamiqs.vm import DynamiqsVM +from oqd_trical.backend.qutip.base import QutipBackend +from oqd_trical.backend.qutip.interface import QutipExperiment, QutipGate from oqd_trical.backend.qutip.vm import QutipVM from oqd_trical.light_matter.compiler.analysis import HilbertSpace @@ -50,3 +54,34 @@ def test_dynamiqs_fail(self): initial_state = dq.tensor(dq.basis(2, 0), dq.basis(3, 0)) DynamiqsVM(hilbert_space=hilbert_space, timestep=1, initial_state=initial_state) + + +class TestQutipDatastore: + def test_run_returns_hdf5_roundtrippable_datastore(self, tmp_path): + hilbert_space = HilbertSpace(hilbert_space=dict(E0={0, 1})) + experiment = QutipExperiment( + frame=None, + sequence=[QutipGate(hamiltonian=None, duration=1.0)], + ) + + datastore = QutipBackend(solver_options={"progress_bar": False}).run( + experiment, hilbert_space, timestep=0.5 + ) + + assert isinstance(datastore, Datastore) + emulation = datastore["emulation"] + assert isinstance(emulation, TrICalEmulatorDataGroup) + np.testing.assert_allclose(emulation.tspan.data, np.array([0.0, 0.5, 1.0])) + assert emulation.states.data.shape == (3, 2) + assert emulation.final_state.data.shape == (2,) + assert emulation.attrs["backend"] == "qutip" + assert emulation.attrs["solver"] == "SESolver" + assert emulation.attrs["hilbert_space"] == '{"E0": 2}' + + f = tmp_path / "qutip_run.h5" + datastore.model_dump_hdf5(f) + loaded = Datastore.model_validate_hdf5(f) + + np.testing.assert_allclose( + loaded["emulation"].states.data, emulation.states.data + ) diff --git a/uv.lock b/uv.lock index c5fab9f..3419376 100644 --- a/uv.lock +++ b/uv.lock @@ -1,8 +1,13 @@ version = 1 +revision = 3 requires-python = ">=3.10, <3.13" resolution-markers = [ - "python_full_version >= '3.12'", - "python_full_version == '3.11.*'", + "python_full_version >= '3.12' and sys_platform == 'win32'", + "python_full_version >= '3.12' and sys_platform == 'emscripten'", + "python_full_version >= '3.12' and sys_platform != 'emscripten' and sys_platform != 'win32'", + "python_full_version == '3.11.*' and sys_platform == 'win32'", + "python_full_version == '3.11.*' and sys_platform == 'emscripten'", + "python_full_version == '3.11.*' and sys_platform != 'emscripten' and sys_platform != 'win32'", "python_full_version < '3.11'", ] @@ -10,9 +15,9 @@ resolution-markers = [ name = 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