def get_angles(self):
"""
Finds optimal angles with the quantum variational eigensolver method.
It's direct copy of the function `get_angles` from Grove. I decided to copy it here
to access to the optimization trajectory (`angles_history`).
Returns:
best_betas, best_gammas (np.arrays): best values of the betas and gammas found.
"""
stacked_params = np.hstack(
(self.qaoa_inst.betas, self.qaoa_inst.gammas))
vqe = VQE(self.qaoa_inst.minimizer,
minimizer_args=self.qaoa_inst.minimizer_args,
minimizer_kwargs=self.qaoa_inst.minimizer_kwargs)
cost_ham = reduce(lambda x, y: x + y, self.qaoa_inst.cost_ham)
# maximizing the cost function!
param_prog = self.qaoa_inst.get_parameterized_program()
result = vqe.vqe_run(param_prog,
cost_ham,
stacked_params,
qc=self.qaoa_inst.qc,
**self.qaoa_inst.vqe_options)
best_betas = result.x[:self.qaoa_inst.steps]
best_gammas = result.x[self.qaoa_inst.steps:]
optimization_trajectory = result.iteration_params
energy_history = result.expectation_vals
if self.ax is not None and self.visualize and self.qaoa_inst.steps == 1:
plot_optimization_trajectory(self.ax, optimization_trajectory)
return best_betas, best_gammas
def get_angles(self):
"""
Finds optimal angles with the quantum variational eigensolver method.
Stored VQE result
:returns: ([list], [list]) A tuple of the beta angles and the gamma
angles for the optimal solution.
"""
stacked_params = np.hstack((self.betas, self.gammas))
vqe = VQE(self.minimizer,
minimizer_args=self.minimizer_args,
minimizer_kwargs=self.minimizer_kwargs)
cost_ham = reduce(lambda x, y: x + y, self.cost_ham)
# maximizing the cost function!
param_prog = self.get_parameterized_program()
result = vqe.vqe_run(param_prog,
cost_ham,
stacked_params,
qvm=self.qvm,
**self.vqe_options)
self.result = result
betas = result.x[:self.steps]
gammas = result.x[self.steps:]
return betas, gammas
def one_step_grid_search(self, current_step):
"""
Grid search on n-th pair of QAOA angles, where n=current_step.
Args:
current_step (int): specify on which layer do we perform search.
Returns:
best_beta, best_gamma (floats): best values of the beta and gamma found.
"""
self.qaoa_inst.steps = current_step
best_beta = None
best_gamma = None
best_energy = np.inf
fixed_betas = self.qaoa_inst.betas
fixed_gammas = self.qaoa_inst.gammas
beta_range = np.linspace(0, np.pi, self.grid_size)
gamma_range = np.linspace(0, 2 * np.pi, self.grid_size)
vqe = VQE(self.qaoa_inst.minimizer,
minimizer_args=self.qaoa_inst.minimizer_args,
minimizer_kwargs=self.qaoa_inst.minimizer_kwargs)
cost_hamiltonian = reduce(lambda x, y: x + y, self.qaoa_inst.cost_ham)
for beta in beta_range:
for gamma in gamma_range:
betas = np.append(fixed_betas, beta)
gammas = np.append(fixed_gammas, gamma)
stacked_params = np.hstack((betas, gammas))
program = self.qaoa_inst.get_parameterized_program()
energy = vqe.expectation(program(stacked_params),
cost_hamiltonian, self.samples,
self.qaoa_inst.qc)
print(beta, gamma, end="\r")
if energy < best_energy:
best_energy = energy
best_beta = beta
best_gamma = gamma
return best_beta, best_gamma
for p in range(0, l - 1, 2):
for r in range(0, l - 1, 2):
h_pqrs[p, p + 1, r, r + 1] = -0.5 * g
Efci = FCI(n, l, h_pq, h_pqrs)
print('FCI energy :', Efci)
pairing = PairingHamiltonian(n, l, h_pq, h_pqrs)
options = {'shots': 1000, 'print': True}
#options = {'shots':1000,
# 'optimization_level':1,
# 'device':'ibmq_london',
# 'layout':[0,3,2,1],
# #'noise_model':True,
# 'basis_gates':True,
# 'coupling_map':True,
# 'print':True}
model = VQE(pairing,
Minimizer('Cobyla', tol=1e-04),
'RYPAIRING',
options=options)
param = model.optimize()
param = [param]
print(param)
num = 10
Es = np.zeros(num)
for i in range(num):
Es[i] = model.expval(param)
print('E =', np.mean(Es), '+-', np.std(Es))
option1 = {'shots':shots,
'optimization_level':1,
#'seed':1,
'print':False}
option2 = {'shots':shots,
'optimization_level':1,
'device':'ibmq_{}'.format(device),
'layout':[1,0,2,3],
'noise_model':True,
'basis_gates':True,
'coupling_map':True,
#'seed':1,
'meas_fitter':False,
'print':False}
option3 = {'shots':shots,
'optimization_level':1,
'device':'ibmq_{}'.format(device),
'layout':[1,0,2,3],
'noise_model':True,
'basis_gates':True,
'coupling_map':True,
#'seed':1,
'print':False}
optionz = [option1,option2,option3]
for o,options in enumerate(optionz):
print('For option',o+1)
for i in range(25):
model = VQE(pairing,Minimizer('Powell'),'RYPAIRING',options=options)
data[s,o,i] = model.expval(theta)
np.save('variance_{}_{}t.npy'.format(device,25),data)
i = 0
for R in tqdm(Rs):
h, v, Enuc, E = get_H2(R)
#fci_coeffs[i] = FCI(h,v)
FCIs[i] = E['fci']
HFs[i] = E['hf']
h2 = SecondQuantizedHamiltonian(n,
l,
h,
v,
nuclear_repulsion=Enuc,
add_spin=True)
h2.group_paulis(qwc=True, gc=True)
model = VQE(h2,
Minimizer('Cobyla', tol=1 / (10 * shots), disp=False),
'RYRZ',
options=options)
theta = model.optimize()
Es[i], VARs[i] = model.get_mean(theta, N=10000, M=10)
#vqe_coeffs[i] = model.get_state_coeffs(theta)
i += 1
np.save('RYRZ/bonds.npy', Rs)
np.save('RYRZ/fci.npy', FCIs)
np.save('RYRZ/hf.npy', HFs)
np.save('RYRZ/E.npy', Es)
np.save('RYRZ/var.npy', VARs)
'noise_model': True,
'basis_gates': True,
'coupling_map': True,
'print': False
}
#model = VQE(pairing,Minimizer('Powell'),'RYRZ',ansatz_depth=10,options=options)
# Get grid
grid_points = 50
x = np.linspace(0, 2 * np.pi, grid_points)
y = np.linspace(0, 2 * np.pi, grid_points)
params = []
for i, xi in enumerate(x):
for j, yi in enumerate(y):
params.append([xi, yi])
Es = np.zeros(grid_points * grid_points)
vqe = VQE(pairing, Minimizer('Powell'), 'RYRZ', options=options)
og_params = vqe.theta
assert len(params) == grid_points * grid_points
i = 0
for theta in tqdm(params):
#print('{} / {}'.format(i+1,grid_points*grid_points))
Es[i] = vqe.expval(theta)
i += 1
np.save('data/brute/ryrz/grid.npy', x)
np.save('data/brute/ryrz/parameters.npy', np.asarray(params))
np.save('data/brute/ryrz/values1000.npy', Es)
nuclear_repulsion=Enuc,
add_spin=True)
t2 = time.time()
print('Time:', t2 - t1)
h2.group_paulis(qwc=True, gc=True)
#options = {'count_states':False,'shots':1000,'print':True}
#options = {'shots':10000,'print':True}
options = {
'shots': 10000,
#'seed':3,
#'optimization_level':1,
#'device':'ibmq_essex',
#'meas_fit':True,
#'layout':[0,1,2,3],
#'noise_model':True,
#'basis_gates':True,
#'coupling_map':True,
'print': True
}
model = VQE(h2,
Minimizer('Cobyla'),
'RYPAIRING',
ansatz_depth=1,
options=options)
theta = model.optimize()
print(model.get_state_coeff(theta))
print(model.get_mean(theta))
pairing.group_paulis(qwc=True,gc=True)
#theta = [5.829889373194686] # Hardcode good parameter
#theta = [-0.4]
#options = {'count_states':False,'shots':1000,'print':True}
#options = {'shots':10000,'print':True}
options = {'shots':1000,
#'seed':1,
'optimization_level':3,
'backend':qcomp,
'ibmq':True,
#'device':'ibmq_london',
#'meas_fit':True,
#'layout':[0,3,2,1],
#'layout':[1,0,2,3],
#'noise_model':True,
'basis_gates':True,
#'coupling_map':True,
'print':True}
model = VQE(pairing,Minimizer('Cobyla',tol=1e-05),'UCCD',options=options)
#print(len(model.circuit_list))
#theta = model.optimize(theta)
#print(theta)
#print(model.get_mean(theta))
print(model.expval(theta))
l,
h_pq,
h_pqrs,
nuclear_repulsion=Enuc,
add_spin=True)
grid_points = 60
x = np.linspace(-0.1, 0.05, grid_points)
#params = [[i] for i in x]
params = []
for i in x:
for j in x:
params.append(np.array([i, j]))
Es = np.zeros(grid_points * grid_points)
shots = 1000
options = {'shots': shots}
i = 0
for theta in tqdm(params):
vqe = VQE(H2,
QuantumGradientDescent('RMSprop'),
ansatz='RY',
options=options)
#print('{} / {}'.format(i+1,grid_points))
Es[i] = vqe.expval(theta)
i += 1
np.save('data/brute/grid.npy', x)
np.save('data/brute/parameters.npy', np.asarray(params))
np.save('data/brute/values{}.npy'.format(shots), Es)
qk_cb = qk.ClassicalRegister(l)
qk_qc = qk.QuantumCircuit(qk_qb,qk_cb)
my_qc = my_ucc(theta,my_qc,my_qb)
qk_qc = qk_ucc.construct_circuit(theta,qk_qb)
def qk_ucc_func(theta,qc,qb):
return qk_ucc.construct_circuit(theta,q=qk_qb)
my_vqe = VQE(n_qubits = l,
n_fermi = n,
ansatz = my_ucc,
circuit_list = circuit_list,
shots = 1000,
seed=1,
count_states=True)
qk_vqe = VQE(n_qubits = l,
n_fermi = n,
ansatz = qk_ucc_func,
circuit_list = circuit_list,
shots = 1000,
seed=1,
count_states=True)
my_E = my_vqe.expval(theta)
qk_E = qk_vqe.expval(theta)
'noise_model': True,
'basis_gates': True,
'coupling_map': True,
#'seed':1,
'meas_fit': False,
'print': False
}
option3 = {
'shots': shots,
'optimization_level': 1,
'device': 'ibmq_{}'.format(device),
'layout': [1, 0, 2, 3],
'noise_model': True,
'basis_gates': True,
'coupling_map': True,
#'seed':1,
'print': False
}
optionz = [option1, option2, option3]
for o, options in enumerate(optionz):
model = VQE(pairing,
Minimizer('Cobyla', tol=1e-04, disp=False),
ansatz,
options=options)
theta = model.optimize()
data[i, o], _ = model.get_mean(theta)
fci[i] = FCI(n, l, h_pq, h_pqrs)
i += 1
np.save('{}_{}_{}shots.npy'.format(device, ansatz, shots), data)
np.save('fci.npy', fci)
'device':'ibmq_{}'.format(device),
'layout':[1,0,2,3],
'noise_model':True,
'basis_gates':True,
'coupling_map':True,
#'seed':1,
'meas_fit':False,
'print':False}
option3 = {'shots':shots,
'optimization_level':1,
'device':'ibmq_{}'.format(device),
'layout':[1,0,2,3],
'noise_model':True,
'basis_gates':True,
'coupling_map':True,
#'seed':1,
'print':False}
optionz = [option1,option2,option3]
model = VQE(pairing,Minimizer('Cobyla',tol=1e-05,disp=False),ansatz,options=optionz[0])
theta = model.optimize()
mean,var = model.get_mean(theta)
coeff = model.get_state_coeff(theta)
fciE,fciV = FCI(n,l,h_pq,h_pqrs,ret_all=True)
print(fciE[0])
print(mean,var)
fciCoef = np.power(fciV[:,0],2)
print(fciCoef)
print(coeff)
print(np.linalg.norm(fciCoef-coeff))
print('FCI energy :', Efci)
pairing = PairingHamiltonian(n, l, h_pq, h_pqrs)
#for i,circ in enumerate(pairing.circuit_list('vqe')): print(i,'\n',circ)
#options = {'count_states':False,'shots':1000,'print':False}
options = {
'shots': 1000,
'optimization_level': 1,
'device': 'ibmq_london',
'layout': [1, 0, 2, 3],
'noise_model': True,
'basis_gates': True,
'coupling_map': True,
'print': False
}
#methods = ['','adam','adagrad','rmsprop']
methods = ['Powell', 'Nelder-Mead']
maxit = 100
#data = np.zeros((len(methods),maxit))
#theta = 2*np.pi*np.random.randn(1)
theta = np.array([-9.31816914])
for i, method in enumerate(methods):
vqe = VQE(pairing, Minimizer(method, max_evals=200), 'RY', options=options)
#vqe = VQE(pairing,QuantumGradientDescent(method,max_iter=maxit),'RY',options=options)
vqe.optimize(theta.copy())
#data[i] = vqe.optimizer.energies
np.save('data/optimization/{}_n.npy'.format(method),
np.array(vqe.energies))
#np.save('data/optimization/QGD.npy',data)
def simple_grid_search_angles(self, save_data=False):
"""
Finds optimal angles for QAOA by performing grid search on all the angles.
This is not recommended for higher values of steps parameter,
since it results in grid_size**(2*steps) evaluations.
Returns:
best_betas, best_gammas (np.arrays): best values of the betas and gammas found.
"""
best_betas = None
best_gammas = None
best_energy = np.inf
# For some reasons np.meshgrid returns columns in order, where values in second
# grow slower than in the first one. This a fix to it.
if self.qaoa_inst.steps == 1:
column_order = [0]
else:
column_order = [1, 0] + list(range(2, self.qaoa_inst.steps))
new_indices = np.argsort(column_order)
beta_ranges = [np.linspace(0, np.pi, self.grid_size)
] * self.qaoa_inst.steps
all_betas = np.vstack(np.meshgrid(*beta_ranges)).reshape(
self.qaoa_inst.steps, -1).T
all_betas = all_betas[:, column_order]
gamma_ranges = [np.linspace(0, 2 * np.pi, self.grid_size)
] * self.qaoa_inst.steps
all_gammas = np.vstack(np.meshgrid(*gamma_ranges)).reshape(
self.qaoa_inst.steps, -1).T
all_gammas = all_gammas[:, column_order]
vqe = VQE(self.qaoa_inst.minimizer,
minimizer_args=self.qaoa_inst.minimizer_args,
minimizer_kwargs=self.qaoa_inst.minimizer_kwargs)
cost_hamiltonian = reduce(lambda x, y: x + y, self.qaoa_inst.cost_ham)
all_energies = []
data_to_save = []
if save_data:
file_name = "_".join(
[str(self.m), "grid",
str(self.grid_size),
str(time.time())]) + ".csv"
for betas in all_betas:
for gammas in all_gammas:
stacked_params = np.hstack((betas, gammas))
program = self.qaoa_inst.get_parameterized_program()
energy = vqe.expectation(program(stacked_params),
cost_hamiltonian, self.samples,
self.qaoa_inst.qc)
all_energies.append(energy)
if self.verbose:
print(betas, gammas, energy, end="\r")
if save_data:
data_to_save.append(np.hstack([betas, gammas, energy]))
if energy < best_energy:
best_energy = energy
best_betas = betas
best_gammas = gammas
if self.verbose:
print("Lowest energy:", best_energy)
print("Angles:", best_betas, best_gammas)
if save_data:
np.savetxt(file_name, np.array(data_to_save), delimiter=",")
if self.visualize:
if self.qaoa_inst.steps == 1:
self.ax = plot_energy_landscape(all_betas,
all_gammas,
np.array(all_energies),
log_legend=True)
else:
plot_variance_landscape(all_betas, all_gammas,
np.array(all_energies))
return best_betas, best_gammas
'print': True
}
options_q = {
'shots': 2000,
#'seed':1,
'optimization_level': 1,
'backend': qcomp,
'ibmq': True,
#'device':'ibmq_london',
#'meas_fit':True,
#'layout':[0,3,2,1],
'layout': [0, 1, 2, 3],
#'layout':[1,0,2,3],
#'noise_model':True,
'basis_gates': True,
#'coupling_map':True,
'print': True
}
#model = VQE(h2,Minimizer('Cobyla',tol=1e-05),'RYPAIRING',options=options_i)
modelq = VQE(h2,
Minimizer('Cobyla', tol=1e-06, max_iter=70),
'RYPAIRING',
options=options_q)
theta = modelq.optimize()
save_str = '0' if R < 1 else ''
save_str += str(int(R * 100))
np.save('E_{}.npy'.format(save_str), np.load('.ibmq_energies.npy'))
np.save('t_{}.npy'.format(save_str), np.load('.ibmq_theta.npy'))
Pairing.set_integrals(h_pq, h_pqrs)
Pairing.get_circuit()
circuit_list = Pairing.to_circuit_list(ptype='vqe')
all_shots = np.linspace(1000, 100000, 100)
Es = np.zeros(100)
legal = np.zeros(100)
illegal = np.zeros(100)
i = 0
for shot in tqdm(all_shots):
model = VQE(
n_qubits=l,
ansatz=UCCD,
circuit_list=circuit_list,
shots=500, #int(shot),
ancilla=0,
seed=None,
prnt=False,
max_energy=False,
count_states=True)
Es[i] = model.expval(theta)
legal[i] = model.legal
illegal[i] = model.illegal
i += 1
np.save('data/shots/shots.npy', all_shots)
np.save('data/shots/values.npy', Es)
np.save('data/shots/legal.npy', legal)
np.save('data/shots/illegal.npy', illegal)
E = np.load('calculated/E_{}.npy'.format(Rstr))
t = np.load('calculated/t_{}.npy'.format(Rstr))
theta = t[-1]
options_q = {
'shots': 4000,
#'seed':1,
'optimization_level': 1,
'backend': qcomp,
'ibmq': True,
#'device':'ibmq_london',
#'meas_fit':True,
#'layout':[0,3,2,1],
'layout': [0, 1, 2, 3],
#'layout':[1,0,2,3],
#'noise_model':True,
'basis_gates': True,
#'coupling_map':True,
'print': True
}
#model = VQE(h2,Minimizer('Cobyla',tol=1e-05),'RYPAIRING',options=options_i)
modelq = VQE(h2,
Minimizer('Cobyla', tol=1e-06, max_iter=70),
'RYPAIRING',
options=options_q)
m, v = modelq.get_mean(theta)
np.save('calculated/mean_{}.npy'.format(Rstr), m)
np.save('calculated/var_{}.npy'.format(Rstr), v)
'layout': layout,
'noise_model': True,
'basis_gates': True,
'coupling_map': True,
#'seed':1,
'meas_fitter': False,
'print': False
}
option3 = {
'shots': 1000,
'optimization_level': 1,
'device': 'ibmq_london',
'layout': layout,
'noise_model': True,
'basis_gates': True,
'coupling_map': True,
#'seed':1,
'print': False
}
options = [option1, option2, option3]
data = np.zeros((3, points))
for j in range(3):
i = 0
for theta in tqdm(thetas):
vqe = VQE(pairing, SPSA(), 'UCCD', options=options[j])
data[j, i] = vqe.expval(theta)
i += 1
np.save('UCCD/LONDON_GC_normal.npy', data[0])
np.save('UCCD/LONDON_GC_noisy_n.npy', data[1])
np.save('UCCD/LONDON_GC_noisy_w.npy', data[2])
for g in tqdm(gs):
h_pq, h_pqrs, Efci, Ehf = get_pairing_matrix(n, l, delta, g, w_E=True)
fci[i] = Efci
hf[i] = Ehf
#print('FCI:',fci[i])
#print('HF:',Ehf)
pairing = PairingHamiltonian(n, l, h_pq, h_pqrs)
#pairing = SecondQuantizedHamiltonian(n,l,h_pq,h_pqrs)
pairing.group_paulis()
#print('Num measures:',len(pairing.circuit_list('vqe')))
options = {
'shots': shots,
#'optimization_level':1,
#'seed':1,
'print': False
}
model = VQE(pairing,
Minimizer('Cobyla', tol=1e-06, disp=False),
ansatz,
ansatz_depth=depth,
options=options)
theta = model.optimize()
data[i], _ = model.get_mean(theta)
print(data[i])
coeff[i] = model.get_state_coeff(theta)
i += 1
np.save('E_{}_{}shots_5g_10g.npy'.format(ansatz, shots), data)
np.save('coeff_{}_{}shots_5g_10g.npy'.format(ansatz, shots), coeff)
#np.save('fci.npy',fci)
#np.save('hf.npy',hf)
#'noise_model':True,
#'basis_gates':True,
#'coupling_map':True,
#'seed':1,
'print': False
}
method = 'rmsprop'
maxit = 100
tols = [1e-04, 1e-05]
avgs = [2, 5, 10, 20]
theta = np.array([-9.31816914]) # Bad theta value
for j, tol in enumerate(tols):
print('For tolerance', tol)
vqe = VQE(pairing,
QuantumGradientDescent(method, max_iter=maxit, tol=tol),
'RY',
options=options)
vqe.optimize(theta.copy())
Es = vqe.optimizer.energies
mean = [np.mean(Es[-i:]) for i in avgs]
var = [np.var(Es[-i:]) for i in avgs]
print('Num Mean Var')
for i, a in enumerate(avgs):
print('{:<8}{:<12.8f}{:.8f}'.format(a, mean[i], var[i]))
#plt.figure(j)
plt.plot(vqe.optimizer.thetas, label='tol {}'.format(tol))
plt.legend()
plt.show()
VARs_noisy = np.zeros_like(omegas)
vqe_coeffs_noisy = np.zeros((len(omegas), 6))
i = 0
for omega in tqdm(omegas):
h, v, E = get_qdot_matrix(n, l, omega)
ev, vv = FCI(n, l, h, v, ret_all=True)
FCIs[i] = ev[0]
HFs[i] = E[0].real
fci_coeffs[i] = vv[:, 0].real
h2 = SecondQuantizedHamiltonian(n, l, h, v, anti_symmetric=True)
h2.group_paulis(qwc=True, gc=True)
# Ideal
model = VQE(h2,
Minimizer('Cobyla', tol=1 / (100 * shots), disp=False),
'UCCSD',
options=option_ideal)
theta = model.optimize()
Es_ideal[i], VARs_ideal[i] = model.get_mean(theta, N=10000, M=10)
vqe_coeffs_ideal[i] = model.get_state_coeff(theta)
# Noisy
model = VQE(h2,
Minimizer('Cobyla', tol=1 / (100 * shots), disp=False),
'UCCSD',
options=option_noisy)
theta = model.optimize()
Es_noisy[i], VARs_noisy[i] = model.get_mean(theta, N=10000, M=10)
vqe_coeffs_noisy[i] = model.get_state_coeff(theta)
i += 1
np.save('UCC/bonds.npy', omegas)
'layout':[1,0,2,3],
'noise_model':True,
'basis_gates':True,
'coupling_map':True,
#'seed':1,
'meas_fitter':False,
'print':False}
option3 = {'shots':1000,
'optimization_level':1,
'device':'ibmq_essex',
'layout':[1,0,2,3],
'noise_model':True,
'basis_gates':True,
'coupling_map':True,
#'seed':1,
'print':False}
options = [option1,option2,option3]
data = np.zeros((3,points))
for j in range(1,3):
i = 0
for theta in tqdm(thetas):
vqe = VQE(pairing,
SPSA(),
'RYPAIRING',
options=options[j])
data[j,i] = vqe.expval(theta)
i += 1
#np.save('RY/ESSEX_GC_normal.npy',data[0])
np.save('RY/ESSEX_GC_noisy_n.npy',data[1])
np.save('RY/ESSEX_GC_noisy_w.npy',data[2])
for p in range(0, l - 1, 2):
for r in range(0, l - 1, 2):
h_pqrs[p, p + 1, r, r + 1] = -0.5 * g
UCCD = UnitaryCoupledCluster(n, l, 'D', 1)
theta = UCCD.new_parameters()
Pairing = SecondQuantizedHamiltonian(n, l, h_pq, h_pqrs)
options = {'shots': 10000}
methods = ['Powell', 'Cobyla', 'Nelder-Mead']
for method in methods:
new_theta = theta
print('VQE with optimization method:', method)
model = VQE(Pairing, ansatz='UCCD', options=options)
model.optimize_classical(method=method)
np.save('data/' + method + '10k.npy', model.energies)
theta = Pairing.theta
model = VQE(Pairing, ansatz='UCCD', options=options)
opt_options = {'feedback': 1, 'grad_avg': 5}
optimization = SPSA(model.expval,
theta,
min_change=0.1,
noise_var=0.01,
options=opt_options)
optimization.run()
method = 'SPSA'
np.save('data/' + method + '10k.npy', model.energies)
import time
t1 = time.time()
pairing = PairingHamiltonian(n, l, h_pq, h_pqrs)
t2 = time.time()
print('Time:', t2 - t1)
pairing.group_paulis(qwc=False, gc=True)
theta = [5.829889373194686] # Hardcode good parameter
#options = {'count_states':False,'shots':1000,'print':True}
#options = {'shots':10000,'print':True}
options = {
'shots': 1000,
'seed': 1,
#'optimization_level':1,
#'device':'ibmq_london',
#'meas_fit':True,
#'layout':[0,3,2,1],
#'noise_model':True,
#'basis_gates':True,
#'coupling_map':True,
'print': True
}
model = VQE(pairing, Minimizer('Powell'), 'RYPAIRING', options=options)
#param = model.optimize()
#print(model.theta)
print(model.expval(theta))
h, v, Enuc, E = get_H2_info(0.7)
fci = E['fci']
hf = E['hf']
print('HF energy:', hf)
print('FCI energy:', fci)
mol = SecondQuantizedHamiltonian(2,
4,
h,
v,
nuclear_repulsion=Enuc,
add_spin=True)
options = {
'shots': 1000,
'optimization_level': 1,
#'device':'ibmq_london',
#'layout':[1,0,2,3],
#'noise_model':True,
#'basis_gates':True,
#'coupling_map':True,
#'seed':1,
'print': True
}
#options = {'shots':10000,'print':True}
alg = VQE(mol, Minimizer('Cobyla'), 'RY', options=options)
alg.optimize()
#alg.expval([0,0,0,0,0])
h_pqrs = np.zeros((l, l, l, l))
for p in range(0, l - 1, 2):
for r in range(0, l - 1, 2):
h_pqrs[p, p + 1, r, r + 1] = -0.5 * g
# Prepare circuit list
pairing = SecondQuantizedHamiltonian(n, l, h_pq, h_pqrs)
grid_points = 500
x = np.linspace(0, 2 * np.pi, grid_points)
params = [[i] for i in x]
Es = np.zeros(grid_points)
legal = np.zeros(grid_points)
illegal = np.zeros(grid_points)
i = 0
for theta in tqdm(params):
vqe = VQE(pairing, ansatz='UCCD')
vqe.options['shots'] = 1000
vqe.options['count_states'] = True
vqe.options['backend'] = 'statevector_simulator'
Es[i] = vqe.expval()
legal[i] = vqe.legal
illegal[i] = vqe.illegal
i += 1
np.save('data/brute/1D/x.npy', x)
np.save('data/brute/1D/values1000.npy', Es)
np.save('data/brute/1D/legal1000.npy', legal)
np.save('data/brute/1D/illegal1000.npy', illegal)
Pairing.set_integrals(h_pq, h_pqrs)
Pairing.get_circuit()
circuit_list = Pairing.to_circuit_list(ptype='vqe')
#print('new')
for i in circuit_list:
print(i)
#p2 = hamil(l)
#cir = p2.get_circuits(h_pq,h_pqrs)
#print('old')
#for i in cir: print(i)
model = VQE(n_qubits=l,
ansatz=UCCD,
circuit_list=circuit_list,
shots=500,
ancilla=0,
prnt=True,
max_energy=False)
#model.optimize_classical(new_theta,method='Cobyla')
#model.optimize_gradient(new_theta)
#options = {'feedback':1,'grad_avg':5}
#optimization = SPSA(model.expval,
# new_theta,
# min_change=0.1,
# noise_var = 0.01,
# options=options)
#optimization()
#method = 'SPSA'
#np.save('data/'+method+'.npy', model.energies)