Compilação quântica aproximada para circuitos de evolução temporal

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()