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Suppress warnings from Qiskit Nature #230

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merged 17 commits into from
Jun 19, 2023
Merged

Suppress warnings from Qiskit Nature #230

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b3554f4
Change PauliSumOp to SparsePauliOp; Remove QubitConverter()
SaashaJoshi May 31, 2023
eefd725
suppress warnings from qiskit-nature
SaashaJoshi Jun 1, 2023
f3c0d6a
minor style check changes
SaashaJoshi Jun 1, 2023
70f7e40
change location of pauliSumOp setting
SaashaJoshi Jun 1, 2023
ed0521c
minor changes to docstrings
SaashaJoshi Jun 6, 2023
b83c49c
avoiding merge conflicts
SaashaJoshi Jun 6, 2023
1ed13bb
Merge remote-tracking branch 'origin/main' into pauliSumOp
SaashaJoshi Jun 6, 2023
244712e
import settings to avoid using pauliSumOp
SaashaJoshi Jun 6, 2023
7c2c1bc
add comment
SaashaJoshi Jun 7, 2023
c83b88d
minor change
SaashaJoshi Jun 7, 2023
b61f3d5
remove upper bound on qiskit-nature version for notebooks
SaashaJoshi Jun 16, 2023
71cc4e6
change qiskit-nature version dependencies
SaashaJoshi Jun 16, 2023
4845f54
update README.md and quantum-serverless tutorial
SaashaJoshi Jun 16, 2023
1566a9b
Update circuit_knitting/forging/cholesky_decomposition.py
SaashaJoshi Jun 17, 2023
d418f13
Update circuit_knitting/forging/entanglement_forging_ground_state_sol…
SaashaJoshi Jun 17, 2023
b8047f4
Merge branch 'Qiskit-Extensions:main' into pauliSumOp
SaashaJoshi Jun 19, 2023
27279a7
add release note
SaashaJoshi Jun 19, 2023
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31 changes: 13 additions & 18 deletions circuit_knitting/forging/cholesky_decomposition.py
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Original file line number Diff line number Diff line change
Expand Up @@ -18,10 +18,10 @@

import numpy as np

from qiskit.opflow import PauliSumOp
from qiskit.quantum_info import Pauli
from qiskit.quantum_info.operators.symplectic import SparsePauliOp
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from qiskit_nature.second_q.problems import ElectronicStructureProblem
from qiskit_nature.second_q.mappers import QubitConverter, JordanWignerMapper
from qiskit_nature.second_q.mappers import JordanWignerMapper
from qiskit_nature.second_q.operators import (
FermionicOp,
PolynomialTensor,
Expand All @@ -36,8 +36,8 @@


def get_cholesky_op(
l_op: np.ndarray, g: int, converter: QubitConverter, opname: str
) -> PauliSumOp:
l_op: np.ndarray, g: int, converter: JordanWignerMapper, opname: str
) -> SparsePauliOp:
"""
Convert a two-body term into a cholesky operator.

Expand All @@ -52,7 +52,7 @@ def get_cholesky_op(
"""
pt = PolynomialTensor({"+-": l_op[:, :, g]})
fer_op = FermionicOp.from_polynomial_tensor(pt)
cholesky_op = converter.convert(fer_op)
cholesky_op = converter.map(fer_op)
cholesky_op._name = opname + "_chol" + str(g)

return cholesky_op
Expand All @@ -62,7 +62,7 @@ def cholesky_decomposition(
problem: ElectronicStructureProblem,
mo_coeff: np.ndarray | None = None,
orbitals_to_reduce: Sequence[int] | None = None,
) -> tuple[list[PauliSumOp], float]:
) -> tuple[list[SparsePauliOp], float]:
"""
Construct the decomposed Hamiltonian from an input ``ElectronicStructureProblem``.

Expand Down Expand Up @@ -124,14 +124,14 @@ def cholesky_decomposition(


def convert_cholesky_operator(
operator: list[PauliSumOp],
operator: list[SparsePauliOp],
ansatz: EntanglementForgingAnsatz,
) -> EntanglementForgingOperator:
"""
Convert the Cholesky operator (List[PauliSumOp]) into the entanglement forging format.
Convert the Cholesky operator (List[SparsePauliOp]) into the entanglement forging format.

Args:
operator: A `List[PauliSumOp]` containing the single-body Hamiltonian followed
operator: A `List[SparsePauliOp]` containing the single-body Hamiltonian followed
by the Cholesky operators
shape: [single-body hamiltonian, cholesky_0, ..., cholesky_N]
ansatz: The ansatz for which to compute expectation values of operator. The
Expand All @@ -153,11 +153,7 @@ def convert_cholesky_operator(
tensor_paulis = set()
superpos_paulis = set()
paulis_each_op = [
{
label: weight
for label, weight in op.primitive.to_list()
if np.abs(weight) > 0
}
{label: weight for label, weight in op.to_list() if np.abs(weight) > 0}
for op in [op1] + list(cholesky_ops)
]

Expand Down Expand Up @@ -242,7 +238,7 @@ def _get_fermionic_ops_with_cholesky(
occupied_orbitals_to_reduce: np.ndarray | None = None,
virtual_orbitals_to_reduce: np.ndarray | None = None,
epsilon_cholesky: float = 1e-10,
) -> tuple[PauliSumOp, list[PauliSumOp], float, np.ndarray, np.ndarray,]:
) -> tuple[SparsePauliOp, list[SparsePauliOp], float, np.ndarray, np.ndarray,]:
r"""
Decompose the Hamiltonian operators into a form appropriate for entanglement forging.

Expand Down Expand Up @@ -335,11 +331,10 @@ def _get_fermionic_ops_with_cholesky(
if halve_transformed_h2:
h2 /= 2 # type: ignore

converter = QubitConverter(JordanWignerMapper())
converter = JordanWignerMapper()
pt = PolynomialTensor({"+-": h1, "++--": to_physicist_ordering(h2)})
fer_op = FermionicOp.from_polynomial_tensor(pt)
qubit_op = converter.convert(fer_op)

qubit_op = converter.map(fer_op)
qubit_op._name = opname + "_onebodyop"

cholesky_ops = [
Expand Down
4 changes: 2 additions & 2 deletions circuit_knitting/forging/entanglement_forging_ground_state_solver.py
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Original file line number Diff line number Diff line change
Expand Up @@ -33,7 +33,7 @@
ElectronicBasis,
)
from qiskit_ibm_runtime import QiskitRuntimeService, Options
from qiskit.opflow import PauliSumOp
from qiskit.quantum_info.operators.symplectic import SparsePauliOp
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from .entanglement_forging_ansatz import EntanglementForgingAnsatz
from .entanglement_forging_knitter import EntanglementForgingKnitter
Expand Down Expand Up @@ -363,7 +363,7 @@ def evaluate_eigenvalue(parameters: Sequence[float]) -> float:
def get_qubit_operators(
self,
problem: ElectronicStructureProblem,
) -> list[PauliSumOp]:
) -> list[SparsePauliOp]:
"""Construct decomposed qubit operators from an ``ElectronicStructureProblem``.

Args:
Expand Down
4 changes: 4 additions & 0 deletions circuit_knitting_toolbox/entanglement_forging/__init__.py
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Original file line number Diff line number Diff line change
Expand Up @@ -28,6 +28,10 @@
)
import circuit_knitting.forging.cholesky_decomposition as cholesky_module

from qiskit_nature import settings

settings.use_pauli_sum_op = False

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These lines actually need to be moved to circuit_knitting/forging/__init__.py now that #244 is merged.

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And it'd be great if you could add a comment above it:

From now forward, the entanglement forging module requires that SparsePauliOp be used rather than PauliSumOp, as the latter is deprecated in Qiskit Terra 0.24. However, Qiskit Nature still is not expected to change this default until Qiskit Nature 0.7. Here, we modify the global state to opt into the new behavior early. Unfortunately, this means that any code that calls Qiskit Nature in the same process as entanglement forging will need to be updated to use SparsePauliOp as well.

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Also, once we finally figure out the magic to get everything working, we should double check that this block is actually required to get tests to pass. The migration guide suggests that it is not always necessary to change this setting. If you provide a SparsePauliOp to a function that returns an operator, it should result in a SparsePauliOp regardless of this setting, from what I understand.

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Yes, this was in fact added after a discussion between @caleb-johnson and Max (Rossmannek). He suggested that we can suppress the warnings with these settings until opflow is dropped, which will be in the 0.8.0 release.

__all__ = [
"EntanglementForgingAnsatz",
"EntanglementForgingKnitter",
Expand Down