時間発展回路のための近似量子コンパイル

import numpy as np
import quimb.tensor
import datetime
import matplotlib.pyplot as plt

from scipy.linalg import expm
from scipy.optimize import OptimizeResult, minimize

from qiskit.quantum_info import SparsePauliOp, Pauli
from qiskit.transpiler import CouplingMap
from qiskit.transpiler.preset_passmanagers import generate_preset_pass_manager
from qiskit import QuantumCircuit
from qiskit.synthesis import SuzukiTrotter

from qiskit_addon_utils.problem_generators import (
    generate_time_evolution_circuit,
)
from qiskit_addon_aqc_tensor.ansatz_generation import (
    generate_ansatz_from_circuit,
)
from qiskit_addon_aqc_tensor.objective import MaximizeStateFidelity
from qiskit_addon_aqc_tensor.simulation.quimb import QuimbSimulator
from qiskit_addon_aqc_tensor.simulation import tensornetwork_from_circuit
from qiskit_addon_aqc_tensor.simulation import compute_overlap

from qiskit_ibm_runtime import QiskitRuntimeService
from qiskit_ibm_runtime import EstimatorV2 as Estimator
from qiskit_ibm_runtime.fake_provider import FakeKyiv

from rustworkx.visualization import graphviz_draw

# L is the number of sites in the 1D spin chain
L = 10

# Generate the coupling map
edge_list = [(i - 1, i) for i in range(1, L)]
even_edges = edge_list[::2]
odd_edges = edge_list[1::2]
coupling_map = CouplingMap(edge_list)

# Generate random coefficients for our XXZ Hamiltonian
np.random.seed(0)
Js = np.random.rand(L - 1) + 0.5 * np.ones(L - 1)
hamiltonian = SparsePauliOp(Pauli("I" * L))
for i, edge in enumerate(even_edges + odd_edges):
    hamiltonian += SparsePauliOp.from_sparse_list(
        [
            ("XX", (edge), Js[i] / 2),
            ("YY", (edge), Js[i] / 2),
            ("ZZ", (edge), Js[i]),
        ],
        num_qubits=L,
    )

# Generate a ZZ observable between the two middle qubits
observable = SparsePauliOp.from_sparse_list(
    [("ZZ", (L // 2 - 1, L // 2), 1.0)], num_qubits=L
)

# Generate an initial Néel state |1010101010⟩
initial_state_circuit = QuantumCircuit(L)
for i in range(L):
    if i % 2:
        initial_state_circuit.x(i)

print("Hamiltonian:", hamiltonian)
print("Observable:", observable)
graphviz_draw(coupling_map.graph, method="circo")

aqc_evolution_time = 0.2

# Each baseline Trotter step covers dt = aqc_evolution_time / 3
# The subsequent (uncompressed) step covers 1 additional dt
subsequent_evolution_time = aqc_evolution_time / 3
total_evolution_time = aqc_evolution_time + subsequent_evolution_time

# Compute exact expectation value via matrix exponentiation
H_matrix = hamiltonian.to_matrix()
U_exact = expm(-1j * H_matrix * total_evolution_time)

# Build the initial state vector (Néel state)
initial_state_vec = np.zeros(2**L)
state_idx = sum(2**i for i in range(L) if i % 2)
initial_state_vec[state_idx] = 1.0

# Evolve and compute expectation value
evolved_state = U_exact @ initial_state_vec
obs_matrix = observable.to_matrix()
exact_expval = (evolved_state.conj() @ obs_matrix @ evolved_state).real

print(f"AQC evolution time: {aqc_evolution_time}")
print(f"Subsequent evolution time: {subsequent_evolution_time:.6f}")
print(f"Total evolution time: {total_evolution_time:.6f}")
print(f"Exact expectation value: {exact_expval:.6f}")

aqc_target_num_trotter_steps = 32

aqc_target_circuit = initial_state_circuit.copy()
aqc_target_circuit.compose(
    generate_time_evolution_circuit(
        hamiltonian,
        synthesis=SuzukiTrotter(reps=aqc_target_num_trotter_steps),
        time=aqc_evolution_time,
    ),
    inplace=True,
)

aqc_ansatz_num_trotter_steps = 1

aqc_good_circuit = initial_state_circuit.copy()
aqc_good_circuit.compose(
    generate_time_evolution_circuit(
        hamiltonian,
        synthesis=SuzukiTrotter(reps=aqc_ansatz_num_trotter_steps),
        time=aqc_evolution_time,
    ),
    inplace=True,
)

aqc_ansatz, aqc_initial_parameters = generate_ansatz_from_circuit(
    aqc_good_circuit
)

# Subsequent circuit: 1 non-compressed Trotter step appended after AQC
subsequent_num_trotter_steps = 1
subsequent_circuit = generate_time_evolution_circuit(
    hamiltonian,
    synthesis=SuzukiTrotter(reps=subsequent_num_trotter_steps),
    time=subsequent_evolution_time,
)

# Baseline Trotter circuit: 4 Trotter steps over total evolution time, no AQC
baseline_num_trotter_steps = 4
baseline_circuit = initial_state_circuit.copy()
baseline_circuit.compose(
    generate_time_evolution_circuit(
        hamiltonian,
        synthesis=SuzukiTrotter(reps=baseline_num_trotter_steps),
        time=total_evolution_time,
    ),
    inplace=True,
)

print(
    f"Target circuit:      depth {aqc_target_circuit.depth(lambda x: x.operation.num_qubits == 2)}"
)
print(
    f"Baseline circuit:    depth {baseline_circuit.depth(lambda x: x.operation.num_qubits == 2)} ({baseline_num_trotter_steps} Trotter steps, time={total_evolution_time:.4f})"
)
print(
    f"Subsequent circuit:  depth {subsequent_circuit.depth(lambda x: x.operation.num_qubits == 2)} ({subsequent_num_trotter_steps} Trotter step, time={subsequent_evolution_time:.4f})"
)
print(
    f"Ansatz circuit:      depth {aqc_ansatz.depth(lambda x: x.operation.num_qubits == 2)}, with {len(aqc_initial_parameters)} parameters"
)
aqc_ansatz.draw("mpl", fold=-1)

simulator_settings = QuimbSimulator(
    quimb.tensor.CircuitMPS, autodiff_backend="jax"
)

aqc_target_mps = tensornetwork_from_circuit(
    aqc_target_circuit, simulator_settings
)
print("Target MPS maximum bond dimension:", aqc_target_mps.psi.max_bond())

good_mps = tensornetwork_from_circuit(aqc_good_circuit, simulator_settings)
starting_fidelity = abs(compute_overlap(good_mps, aqc_target_mps)) ** 2
print(f"Starting fidelity: {starting_fidelity:.6f}")

aqc_stopping_fidelity = 1
aqc_max_iterations = 500

stopping_point = 1.0 - aqc_stopping_fidelity
objective = MaximizeStateFidelity(
    aqc_target_mps, aqc_ansatz, simulator_settings
)


def callback(intermediate_result: OptimizeResult):
    fidelity = 1 - intermediate_result.fun
    print(
        f"{datetime.datetime.now()} Intermediate result: Fidelity {fidelity:.8f}"
    )
    if intermediate_result.fun < stopping_point:
        raise StopIteration


result = minimize(
    objective,
    aqc_initial_parameters,
    method="L-BFGS-B",
    jac=True,
    options={"maxiter": aqc_max_iterations},
    callback=callback,
)
if result.status not in (0, 1, 99):
    raise RuntimeError(
        f"Optimization failed: {result.message} (status={result.status})"
    )

print(f"Done after {result.nit} iterations.")
aqc_final_parameters = result.x

aqc_final_circuit = aqc_ansatz.assign_parameters(aqc_final_parameters)
aqc_final_circuit.compose(subsequent_circuit, inplace=True)
aqc_final_circuit.draw("mpl", fold=-1)

backend = FakeKyiv()

pass_manager = generate_preset_pass_manager(
    backend=backend, optimization_level=3
)

# Transpile the AQC-optimized circuit (compressed + subsequent step)
isa_circuit = pass_manager.run(aqc_final_circuit)
isa_observable = observable.apply_layout(isa_circuit.layout)
print(
    "AQC circuit depth:",
    isa_circuit.depth(lambda x: x.operation.num_qubits == 2),
)

# Transpile the baseline Trotter circuit (no AQC optimization)
isa_baseline_circuit = pass_manager.run(baseline_circuit)
isa_baseline_observable = observable.apply_layout(isa_baseline_circuit.layout)
print(
    "Baseline Trotter circuit depth:",
    isa_baseline_circuit.depth(lambda x: x.operation.num_qubits == 2),
)

estimator = Estimator(backend)

# Run both circuits
aqc_result = estimator.run([(isa_circuit, isa_observable)]).result()
baseline_result = estimator.run(
    [(isa_baseline_circuit, isa_baseline_observable)]
).result()

aqc_expval = aqc_result[0].data.evs.tolist()
baseline_expval = baseline_result[0].data.evs.tolist()

print(f"Exact:              {exact_expval:.4f}")
print(
    f"Baseline Trotter:   {baseline_expval:.4f}, |\u0394| = {np.abs(exact_expval - baseline_expval):.4f}  (depth {isa_baseline_circuit.depth(lambda x: x.operation.num_qubits == 2)}, {baseline_num_trotter_steps} steps)"
)
print(
    f"AQC (3+1):          {aqc_expval:.4f}, |\u0394| = {np.abs(exact_expval - aqc_expval):.4f}  (depth {isa_circuit.depth(lambda x: x.operation.num_qubits == 2)}, compressed+subsequent)"
)

plt.style.use("seaborn-v0_8")

labels = [
    f"Baseline Trotter\n({baseline_num_trotter_steps} steps, depth {isa_baseline_circuit.depth(lambda x: x.operation.num_qubits == 2)})",
    f"AQC (3+1)\n(depth {isa_circuit.depth(lambda x: x.operation.num_qubits == 2)})",
]
values = [baseline_expval, aqc_expval]
colors = ["tab:orange", "tab:blue"]

plt.figure(figsize=(8, 5))
bars = plt.bar(labels, values, color=colors, width=0.5)
plt.axhline(
    y=exact_expval,
    color="tab:green",
    linestyle="--",
    linewidth=2,
    label=f"Exact ({exact_expval:.4f})",
)
plt.ylabel("Expected Value")
plt.title(
    "AQC-Tensor (3 compressed + 1 uncompressed) vs Baseline Trotter (10-site XXZ)"
)
plt.legend()
for bar in bars:
    y_val = bar.get_height()
    plt.text(
        bar.get_x() + bar.get_width() / 2.0,
        y_val,
        f"{y_val:.4f}",
        ha="center",
        va="bottom" if y_val >= 0 else "top",
    )
plt.axhline(y=0, color="black", linewidth=0.3)
plt.tight_layout()
plt.show()

# -------------------------Step 1-------------------------

# Define the 50-site spin chain
L = 50
edge_list = [(i - 1, i) for i in range(1, L)]
even_edges = edge_list[::2]
odd_edges = edge_list[1::2]
coupling_map = CouplingMap(edge_list)

# Random XXZ Hamiltonian
np.random.seed(0)
Js = np.random.rand(L - 1) + 0.5 * np.ones(L - 1)
hamiltonian = SparsePauliOp(Pauli("I" * L))
for i, edge in enumerate(even_edges + odd_edges):
    hamiltonian += SparsePauliOp.from_sparse_list(
        [
            ("XX", (edge), Js[i] / 2),
            ("YY", (edge), Js[i] / 2),
            ("ZZ", (edge), Js[i]),
        ],
        num_qubits=L,
    )

observable = SparsePauliOp.from_sparse_list(
    [("ZZ", (L // 2 - 1, L // 2), 1.0)], num_qubits=L
)

# Initial Néel state
initial_state_circuit = QuantumCircuit(L)
for i in range(L):
    if i % 2:
        initial_state_circuit.x(i)

# Time parameters
aqc_evolution_time = 0.2
subsequent_evolution_time = aqc_evolution_time / 3
total_evolution_time = aqc_evolution_time + subsequent_evolution_time

# AQC target circuit (high-accuracy, 32 Trotter steps for AQC portion)
aqc_target_num_trotter_steps = 32

aqc_target_circuit = initial_state_circuit.copy()
aqc_target_circuit.compose(
    generate_time_evolution_circuit(
        hamiltonian,
        synthesis=SuzukiTrotter(reps=aqc_target_num_trotter_steps),
        time=aqc_evolution_time,
    ),
    inplace=True,
)

# Generate ansatz from 1-step Trotter circuit
aqc_good_circuit = initial_state_circuit.copy()
aqc_good_circuit.compose(
    generate_time_evolution_circuit(
        hamiltonian,
        synthesis=SuzukiTrotter(reps=1),
        time=aqc_evolution_time,
    ),
    inplace=True,
)

aqc_ansatz, aqc_initial_parameters = generate_ansatz_from_circuit(
    aqc_good_circuit
)

# Subsequent circuit: 1 non-compressed Trotter step
subsequent_circuit = generate_time_evolution_circuit(
    hamiltonian,
    synthesis=SuzukiTrotter(reps=1),
    time=subsequent_evolution_time,
)

# Baseline Trotter circuit: 4 Trotter steps over total evolution time, no AQC
baseline_num_trotter_steps = 4
baseline_circuit = initial_state_circuit.copy()
baseline_circuit.compose(
    generate_time_evolution_circuit(
        hamiltonian,
        synthesis=SuzukiTrotter(reps=baseline_num_trotter_steps),
        time=total_evolution_time,
    ),
    inplace=True,
)
print(
    f"Target circuit:  depth {aqc_target_circuit.depth(lambda x: x.operation.num_qubits == 2)}"
)
print(
    f"Ansatz circuit:  depth {aqc_ansatz.depth(lambda x: x.operation.num_qubits == 2)}, with {len(aqc_initial_parameters)} parameters"
)
print(
    f"Subsequent circuit: depth {subsequent_circuit.depth(lambda x: x.operation.num_qubits == 2)}"
)
print(
    f"Baseline circuit:   depth {baseline_circuit.depth(lambda x: x.operation.num_qubits == 2)} ({baseline_num_trotter_steps} steps, time={total_evolution_time:.4f})"
)

# Build target MPS and compute reference expectation value
simulator_settings = QuimbSimulator(
    quimb.tensor.CircuitMPS, autodiff_backend="jax"
)
aqc_target_mps = tensornetwork_from_circuit(
    aqc_target_circuit, simulator_settings
)
print("Target MPS maximum bond dimension:", aqc_target_mps.psi.max_bond())

# For the reference expectation value, we need the full evolution (AQC + subsequent)
# Build a high-accuracy full circuit for MPS reference
full_target_circuit = initial_state_circuit.copy()
full_target_circuit.compose(
    generate_time_evolution_circuit(
        hamiltonian,
        synthesis=SuzukiTrotter(reps=aqc_target_num_trotter_steps),
        time=total_evolution_time,
    ),
    inplace=True,
)
full_target_mps = tensornetwork_from_circuit(
    full_target_circuit, simulator_settings
)
exact_expval = full_target_mps.local_expectation(
    quimb.pauli("Z") & quimb.pauli("Z"), (L // 2 - 1, L // 2)
).real.item()
print(f"Reference expectation value (from MPS): {exact_expval:.6f}")

# Optimize ansatz parameters
objective = MaximizeStateFidelity(
    aqc_target_mps, aqc_ansatz, simulator_settings
)


def callback(intermediate_result: OptimizeResult):
    fidelity = 1 - intermediate_result.fun
    print(
        f"{datetime.datetime.now()} Intermediate result: Fidelity {fidelity:.8f}"
    )


result = minimize(
    objective,
    aqc_initial_parameters,
    method="L-BFGS-B",
    jac=True,
    options={"maxiter": 500},
    callback=callback,
)
if result.status not in (0, 1, 99):
    raise RuntimeError(
        f"Optimization failed: {result.message} (status={result.status})"
    )
print(f"Done after {result.nit} iterations.")

# Assemble the final AQC circuit: optimized ansatz + subsequent Trotter step
aqc_final_circuit = aqc_ansatz.assign_parameters(result.x)
aqc_final_circuit.compose(subsequent_circuit, inplace=True)

# -------------------------Step 2-------------------------

service = QiskitRuntimeService()
backend = service.least_busy(min_num_qubits=127)
print(backend)

pass_manager = generate_preset_pass_manager(
    backend=backend, optimization_level=3
)
isa_circuit = pass_manager.run(aqc_final_circuit)
isa_observable = observable.apply_layout(isa_circuit.layout)
print(
    "AQC circuit depth:",
    isa_circuit.depth(lambda x: x.operation.num_qubits == 2),
)

# Also transpile the baseline Trotter circuit (4 Trotter steps, no AQC)
isa_baseline_circuit = pass_manager.run(baseline_circuit)
isa_baseline_observable = observable.apply_layout(isa_baseline_circuit.layout)
print(
    "Baseline Trotter circuit depth:",
    isa_baseline_circuit.depth(lambda x: x.operation.num_qubits == 2),
)

# -------------------------Step 3-------------------------

# Submit both circuits in a single job
estimator = Estimator(backend)
estimator.options.environment.job_tags = ["TUT_AQCTE"]

job = estimator.run(
    [
        (isa_circuit, isa_observable),
        (isa_baseline_circuit, isa_baseline_observable),
    ]
)
print("Job ID:", job.job_id())

# -------------------------Step 4-------------------------

hw_results = job.result()
aqc_expval = hw_results[0].data.evs.tolist()
baseline_expval = hw_results[1].data.evs.tolist()

print(f"Exact (MPS):        {exact_expval:.4f}")
print(
    f"Baseline Trotter:   {baseline_expval:.4f}, |\u0394| = {np.abs(exact_expval - baseline_expval):.4f}"
)
print(
    f"AQC (3+1):          {aqc_expval:.4f}, |\u0394| = {np.abs(exact_expval - aqc_expval):.4f}"
)

labels = [
    f"Baseline Trotter\n({baseline_num_trotter_steps} steps, depth {isa_baseline_circuit.depth(lambda x: x.operation.num_qubits == 2)})",
    f"AQC (3+1)\n(depth {isa_circuit.depth(lambda x: x.operation.num_qubits == 2)})",
]
values = [baseline_expval, aqc_expval]
colors = ["tab:orange", "tab:blue"]

plt.figure(figsize=(8, 5))
bars = plt.bar(labels, values, color=colors, width=0.5)
plt.axhline(
    y=exact_expval,
    color="tab:green",
    linestyle="--",
    linewidth=2,
    label=f"Exact ({exact_expval:.4f})",
)
plt.ylabel("Expected Value")
plt.title(
    "AQC-Tensor (3 compressed + 1 uncompressed) vs Baseline Trotter (50-site XXZ)"
)
plt.legend()
for bar in bars:
    y_val = bar.get_height()
    plt.text(
        bar.get_x() + bar.get_width() / 2.0,
        y_val,
        f"{y_val:.4f}",
        ha="center",
        va="bottom" if y_val >= 0 else "top",
    )
plt.axhline(y=0, color="black", linewidth=0.3)
plt.tight_layout()
plt.show()