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Add parameterized Qiskit LUCJ ansatz #669

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33 changes: 33 additions & 0 deletions docs/how-to-guides/qiskit-lucj.ipynb
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Original file line number Diff line number Diff line change
Expand Up @@ -178,6 +178,39 @@
"Note that you can use a different `pairs_ab` during the `ucj_op` construction instead of the one returned by `generate_lucj_pass_manager`, but doing so may incur a higher SWAP overhead."
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"### Parameterized spin-balanced LUCJ circuit\n",
"\n",
"To optimize the LUCJ ansatz directly as a Qiskit circuit, construct the merged circuit with symbolic parameters and initialize those parameters from coupled-cluster amplitudes. The parameter order is the same for `lucj_spin_balanced_ansatz()` and `lucj_spin_balanced_parameters_from_t2()`.\n"
]
},
{
"cell_type": "code",
"execution_count": null,
"metadata": {},
"outputs": [],
"source": [
"parameterized_ansatz = ffsim.qiskit.lucj_spin_balanced_ansatz(\n",
" norb, n_reps, interaction_pairs=(pairs_aa, pairs_ab)\n",
")\n",
"initial_parameters = ffsim.qiskit.lucj_spin_balanced_parameters_from_t2(\n",
" ccsd.t2,\n",
" t1=ccsd.t1,\n",
" n_reps=n_reps,\n",
" interaction_pairs=(pairs_aa, pairs_ab),\n",
")\n",
"\n",
"parameterized_circuit = QuantumCircuit(qubits)\n",
"parameterized_circuit.append(ffsim.qiskit.PrepareHartreeFockJW(norb, nelec), qubits)\n",
"parameterized_circuit.compose(parameterized_ansatz, qubits=qubits, inplace=True)\n",
"\n",
"bound_circuit = parameterized_circuit.assign_parameters(initial_parameters)\n",
"parameterized_circuit.num_parameters, bound_circuit.count_ops()\n"
]
},
{
"cell_type": "markdown",
"id": "42f81ad1",
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8 changes: 8 additions & 0 deletions python/ffsim/qiskit/__init__.py
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Expand Up @@ -33,6 +33,11 @@
UCJOpSpinUnbalancedJW,
)
from ffsim.qiskit.jordan_wigner import jordan_wigner
from ffsim.qiskit.lucj import (
lucj_spin_balanced_ansatz,
lucj_spin_balanced_parameters,
lucj_spin_balanced_parameters_from_t2,
)
from ffsim.qiskit.lucj_pass_manager import generate_lucj_pass_manager
from ffsim.qiskit.sampler import FfsimSampler
from ffsim.qiskit.sim import final_state_vector
Expand Down Expand Up @@ -73,6 +78,9 @@
"final_state_vector",
"generate_lucj_pass_manager",
"jordan_wigner",
"lucj_spin_balanced_ansatz",
"lucj_spin_balanced_parameters",
"lucj_spin_balanced_parameters_from_t2",
"pre_init_passes",
"qiskit_vec_to_ffsim_vec",
]
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