def positive_wavefunction_data(gpu, num_hidden):
with open(
os.path.join(__tests_location__, "data", "test_grad_data.pkl"), "rb"
) as f:
test_data = pickle.load(f)
qucumber.set_random_seed(SEED, cpu=True, gpu=gpu, quiet=True)
data = torch.tensor(test_data["tfim1d"]["train_samples"], dtype=torch.double)
target_psi = torch.tensor(test_data["tfim1d"]["target_psi"], dtype=torch.double)
num_visible = data.shape[-1]
nn_state = PositiveWaveFunction(num_visible, num_hidden, gpu=gpu)
PGU = PosGradsUtils(nn_state)
data = data.to(device=nn_state.device)
vis = nn_state.generate_hilbert_space(num_visible)
target_psi = target_psi.to(device=nn_state.device)
PositiveWaveFunctionFixture = namedtuple(
"PositiveWaveFunctionFixture",
["data", "target_psi", "grad_utils", "nn_state", "vis"],
)
return PositiveWaveFunctionFixture(
data=data, target_psi=target_psi, grad_utils=PGU, nn_state=nn_state, vis=vis
)
def test_bad_stop_training_val():
nn_state = PositiveWaveFunction(10, gpu=False)
msg = "Setting stop_training to a non-boolean value should have raised an error."
with pytest.raises(ValueError):
nn_state.stop_training = "foobar"
pytest.fail(msg)
def test_positive_wavefunction_psi():
nn_state = PositiveWaveFunction(10, gpu=False)
vis_state = torch.ones(10).to(dtype=torch.double)
actual_psi = nn_state.psi(vis_state)[1].to(vis_state)
expected_psi = torch.zeros(1).to(vis_state)
msg = "PositiveWaveFunction is giving a non-zero imaginary part!"
assert torch.equal(actual_psi, expected_psi), msg
def test_single_positive_sample():
nn_state = PositiveWaveFunction(10, 7, gpu=False)
sample = nn_state.sample(k=10).squeeze()
h_sample = nn_state.sample_h_given_v(sample)
v_prob = nn_state.prob_v_given_h(h_sample)
msg = "Single hidden sample should give a "
assert v_prob.dim() == 1, msg
def test_sampling_with_overwrite():
nn_state = PositiveWaveFunction(10, gpu=False)
old_state = torch.empty(100, 10).bernoulli_().to(dtype=torch.double)
initial_state = old_state.clone()
sample = nn_state.sample(k=10, initial_state=initial_state, overwrite=True)
assert torch.equal(sample, initial_state), "initial_state did not get overwritten!"
assert not torch.equal(sample, old_state), "Markov Chain did not get updated!"
def test_positive_wavefunction(gpu):
qucumber.set_random_seed(SEED, cpu=True, gpu=gpu, quiet=True)
nn_state = PositiveWaveFunction(10, gpu=gpu)
old_params = parameters_to_vector(nn_state.rbm_am.parameters())
data = torch.ones(100, 10)
nn_state.fit(data, epochs=1, pos_batch_size=10, neg_batch_size=10)
new_params = parameters_to_vector(nn_state.rbm_am.parameters())
msg = "PositiveWaveFunction's parameters did not change!"
assert not torch.equal(old_params, new_params), msg
def test_stop_training(gpu):
qucumber.set_random_seed(SEED, cpu=True, gpu=gpu, quiet=True)
nn_state = PositiveWaveFunction(10, gpu=gpu)
old_params = parameters_to_vector(nn_state.rbm_am.parameters())
data = torch.ones(100, 10)
nn_state.stop_training = True
nn_state.fit(data)
new_params = parameters_to_vector(nn_state.rbm_am.parameters())
msg = "stop_training didn't work!"
assert torch.equal(old_params, new_params), msg
def test_positive_wavefunction_phase():
nn_state = PositiveWaveFunction(10, gpu=False)
vis_state = torch.ones(10).to(dtype=torch.double)
actual_phase = nn_state.phase(vis_state).to(vis_state)
expected_phase = torch.zeros(1).to(vis_state).squeeze()
msg = "PositiveWaveFunction is giving a non-zero phase for single visible state!"
assert torch.equal(actual_phase, expected_phase), msg
vis_state = torch.ones(10, 10).to(dtype=torch.double)
actual_phase = nn_state.phase(vis_state).to(vis_state)
expected_phase = torch.zeros(10).to(vis_state)
msg = "PositiveWaveFunction is giving a non-zero phase for batch of visible states!"
assert torch.equal(actual_phase, expected_phase), msg
def test_stop_training_in_epoch(gpu):
qucumber.set_random_seed(SEED, cpu=True, gpu=gpu, quiet=True)
nn_state = PositiveWaveFunction(10, gpu=gpu)
data = torch.ones(100, 10)
callbacks = [
LambdaCallback(
on_epoch_end=lambda nn_state, ep: set_stop_training(nn_state))
]
nn_state.fit(data, callbacks=callbacks)
msg = "stop_training wasn't set!"
assert nn_state.stop_training, msg
def test_trainingpositive():
print("Positive WaveFunction")
print("---------------------")
train_samples_path = os.path.join(
__tests_location__,
"..",
"examples",
"Tutorial1_TrainPosRealWaveFunction",
"tfim1d_data.txt",
)
psi_path = os.path.join(
__tests_location__,
"..",
"examples",
"Tutorial1_TrainPosRealWaveFunction",
"tfim1d_psi.txt",
)
train_samples, target_psi = data.load_data(train_samples_path, psi_path)
nv = nh = train_samples.shape[-1]
fidelities = []
KLs = []
epochs = 5
batch_size = 100
num_chains = 200
CD = 10
lr = 0.1
log_every = 5
print("Training 10 times and checking fidelity and KL at 5 epochs...\n")
for i in range(10):
print("Iteration: ", i + 1)
nn_state = PositiveWaveFunction(num_visible=nv,
num_hidden=nh,
gpu=False)
space = nn_state.generate_hilbert_space(nv)
callbacks = [
MetricEvaluator(
log_every,
{
"Fidelity": ts.fidelity,
"KL": ts.KL
},
target_psi=target_psi,
space=space,
verbose=True,
)
]
initialize_posreal_params(nn_state)
nn_state.fit(
data=train_samples,
epochs=epochs,
pos_batch_size=batch_size,
neg_batch_size=num_chains,
k=CD,
lr=lr,
time=True,
progbar=False,
callbacks=callbacks,
)
fidelities.append(ts.fidelity(nn_state, target_psi, space))
KLs.append(ts.KL(nn_state, target_psi, space))
print("\nStatistics")
print("----------")
print(
"Fidelity: ",
np.average(fidelities),
"+/-",
np.std(fidelities) / np.sqrt(len(fidelities)),
"\n",
)
print("KL: ", np.average(KLs), "+/-",
np.std(KLs) / np.sqrt(len(KLs)), "\n")
assert abs(np.average(fidelities) - 0.85) < 0.02
assert abs(np.average(KLs) - 0.29) < 0.05
assert (np.std(fidelities) / np.sqrt(len(fidelities))) < 0.01
assert (np.std(KLs) / np.sqrt(len(KLs))) < 0.01
import numpy as np
import matplotlib.pyplot as plt
from qucumber.nn_states import PositiveWaveFunction
from qucumber.callbacks import MetricEvaluator
import qucumber.utils.training_statistics as ts
import qucumber.utils.data as data
import qucumber
psi_path = "phi_fourier.txt"
train_path = "data_fourier.txt"
train_data, true_psi = data.load_data(train_path, psi_path)
nv = train_data.shape[-1]
nh = nv * 10
nn_state = PositiveWaveFunction(num_visible=nv, num_hidden=nh, gpu=False)
def psi_coefficient(nn_state, space, A, **kwargs):
norm = nn_state.compute_normalization(space).sqrt_()
return A * nn_state.psi(space)[0][0] / norm
pbs = 100
nbs = pbs
epochs = 500
lr = 0.005
k = 10
period = 50
space = nn_state.generate_hilbert_space()
def quantum_state_training_data(request):
nn_state_type = request.param
if nn_state_type == PositiveWaveFunction:
root = os.path.join(
request.fspath.dirname,
"..",
"examples",
"Tutorial1_TrainPosRealWaveFunction",
)
train_samples, target = data.load_data(
tr_samples_path=os.path.join(root, "tfim1d_data.txt"),
tr_psi_path=os.path.join(root, "tfim1d_psi.txt"),
)
train_bases, bases = None, None
nn_state = PositiveWaveFunction(num_visible=train_samples.shape[-1],
gpu=False)
batch_size, num_chains = 100, 200
fid_target, kl_target = 0.85, 0.29
reinit_params_fn = initialize_posreal_params
elif nn_state_type == ComplexWaveFunction:
root = os.path.join(
request.fspath.dirname,
"..",
"examples",
"Tutorial2_TrainComplexWaveFunction",
)
train_samples, target, train_bases, bases = data.load_data(
tr_samples_path=os.path.join(root, "qubits_train.txt"),
tr_psi_path=os.path.join(root, "qubits_psi.txt"),
tr_bases_path=os.path.join(root, "qubits_train_bases.txt"),
bases_path=os.path.join(root, "qubits_bases.txt"),
)
nn_state = ComplexWaveFunction(num_visible=train_samples.shape[-1],
gpu=False)
batch_size, num_chains = 50, 10
fid_target, kl_target = 0.38, 0.33
reinit_params_fn = initialize_complex_params
elif nn_state_type == DensityMatrix:
root = os.path.join(request.fspath.dirname, "..", "examples",
"Tutorial3_TrainDensityMatrix")
train_samples, target, train_bases, bases = data.load_data_DM(
tr_samples_path=os.path.join(root,
"N2_W_state_100_samples_data.txt"),
tr_mtx_real_path=os.path.join(root, "N2_W_state_target_real.txt"),
tr_mtx_imag_path=os.path.join(root, "N2_W_state_target_imag.txt"),
tr_bases_path=os.path.join(root,
"N2_W_state_100_samples_bases.txt"),
bases_path=os.path.join(root, "N2_IC_bases.txt"),
)
nn_state = DensityMatrix(num_visible=train_samples.shape[-1],
gpu=False)
batch_size, num_chains = 100, 10
fid_target, kl_target = 0.45, 0.42
def reinit_params_fn(request, nn_state):
nn_state.reinitialize_parameters()
else:
raise ValueError(
f"invalid test config: {nn_state_type} is not a valid quantum state type"
)
return {
"nn_state": nn_state,
"data": train_samples,
"input_bases": train_bases,
"target": target,
"bases": bases,
"epochs": 5,
"pos_batch_size": batch_size,
"neg_batch_size": num_chains,
"k": 10,
"lr": 0.1,
"space": nn_state.generate_hilbert_space(),
"fid_target": fid_target,
"kl_target": kl_target,
"reinit_params_fn": reinit_params_fn,
}