import time import jax import jax.numpy as jnp import numpy as np import pandas as pd import matplotlib.pyplot as plt import dense_evolution as de jax.config.update("jax_enable_x64", True) N_Q = 6 sim = de.DenseSVSimulator(n_qubits=N_Q, use_gpu=False, use_float32=False) t_hopping = 2.11 def calcola_energia_vqe(theta): ansatz_circuit = [] ansatz_circuit.append(['x', 0]) for q in range(N_Q - 1): ansatz_circuit.append(['cx', q + 1, q]) ansatz_circuit.append(['ry', q + 1, float(theta)]) ansatz_circuit.append(['cx', q, q + 1]) ansatz_circuit.append(['ry', q + 1, -float(theta)]) ansatz_circuit.append(['cx', q + 1, q]) sim.set_initial_state() sim.run_circuit_jit_beast_mode(ansatz_circuit) statevector = sim.get_statevector() dim = len(statevector) indices = np.arange(dim) total_kinetic = 0.0 for q in range(N_Q): q_next = (q + 1) % N_Q mask = (1 << q) | (1 << q_next) psi_flipped = statevector[indices ^ mask] xx_exp = np.real(np.sum(np.conj(statevector) * psi_flipped)) bit_i = (indices & (1 << q)) >> q bit_j = (indices & (1 << q_next)) >> q_next phase = np.where(bit_i == bit_j, -1.0, 1.0) yy_exp = np.real(np.sum(np.conj(statevector) * psi_flipped * phase)) total_kinetic += float(xx_exp + yy_exp) return - (t_hopping / 2.0) * total_kinetic punti_theta = np.linspace(0.0, 2 * np.pi, 3500) dati_gradiente = [] h = 1e-5 print("============================================================") print("🔬 COMPUTING EXACT ANALYTICAL VQE GRADIENT LANDSCAPE (3500 STEPS)") print("============================================================") t_global_start = time.perf_counter() for idx, theta in enumerate(punti_theta): E_plus = calcola_energia_vqe(theta + h) E_minus = calcola_energia_vqe(theta - h) gradiente_reale = (E_plus - E_minus) / (2 * h) E_attuale = calcola_energia_vqe(theta) if (idx + 1) % 250 == 0 or idx == 0 or idx == len(punti_theta) - 1: print(f"Step {idx+1:04d}/3500 | Theta: {theta:.3f} rad | Energia: {E_attuale:+.4f} eV | Gradiente: {gradiente_reale:+.6f}") dati_gradiente.append({ "Theta": theta, "Energia": E_attuale, "Gradiente": gradiente_reale }) df = pd.DataFrame(dati_gradiente) df.to_csv("vqe_gradient_landscape.csv", index=False) plt.style.use('dark_background') fig, (ax1, ax2) = plt.subplots(2, 1, figsize=(10, 8), sharex=True) ax1.plot(df["Theta"], df["Energia"], color='#00FFFF', linewidth=2.5, label='VQE Energy Surface E(θ)') ax1.set_ylabel("Energy (eV)", color='#888888') ax1.grid(True, linestyle='--', alpha=0.2, color='#444444') ax1.legend(loc="upper right") ax1.set_title("VQE Energy Landscape & Exact Numerical Gradients", fontsize=11, fontweight='bold', pad=15) ax2.plot(df["Theta"], df["Gradiente"], color='#FFFF00', linewidth=2, label='Exact Gradient (dE/dθ)') ax2.axhline(0.0, color='#888888', linestyle=':', alpha=0.5) ax2.set_xlabel("Variational Parameter θ (radians)", color='#888888') ax2.set_ylabel("Gradient Magnitude", color='#888888') ax2.grid(True, linestyle='--', alpha=0.2, color='#444444') ax2.legend(loc="upper right") plt.tight_layout() plt.savefig("vqe_gradient_landscape.png", dpi=300) tempo_totale = time.perf_counter() - t_global_start print("============================================================") print(f"✅ MAPPA DEI GRADIENTI COMPLETATA IN {tempo_totale:.2f} s") print("============================================================")