def test_grads(quantum_state_graddata):
nn_state, alg_grads, num_grads, grad_type, test_tol = quantum_state_graddata
print("\nTesting {} gradients for {} on {}.".format(
grad_type, nn_state.__class__.__name__, nn_state.device))
for n, net in enumerate(nn_state.networks):
print("\nRBM: %s" % net)
rbm = getattr(nn_state, net)
param_ranges = {}
counter = 0
for param_name, param in rbm.named_parameters():
param_ranges[param_name] = range(counter, counter + param.numel())
counter += param.numel()
for i, grad in enumerate(num_grads[n]):
p_name, at_start = get_param_status(i, param_ranges)
if at_start:
print(f"\nTesting {p_name}...")
print(f"Numerical {grad_type}\tAlg {grad_type}")
print("{: 10.8f}\t{: 10.8f}\t\t".format(grad,
alg_grads[n][i].item()))
assertAlmostEqual(
num_grads[n],
alg_grads[n],
test_tol,
msg=f"{grad_type} grads are not close enough for {net}!",
)
def test_rotate_rho_probs(num_visible, state_type, precompute_rho):
nn_state = state_type(num_visible, gpu=False)
basis = "X" * num_visible
unitary_dict = create_dict()
space = nn_state.generate_hilbert_space()
rho = nn_state.rho(space, expand=True) if precompute_rho else None
rho_r = rotate_rho(nn_state, basis, space, unitary_dict, rho=rho)
rho_r_probs = torch.diagonal(cplx.real(rho_r))
rho_r_probs_fast = rotate_rho_probs(nn_state,
basis,
space,
unitary_dict,
rho=rho)
# use different tolerance as this sometimes just barely breaks through the
# smaller TOL value from test_grads.py
assertAlmostEqual(
rho_r_probs,
rho_r_probs_fast,
tol=(TOL * 10),
msg="Fast rho probs rotation failed!",
)
def test_density_matrix_tr1():
nn_state = DensityMatrix(5, gpu=False)
space = nn_state.generate_hilbert_space(5)
matrix = nn_state.rho(space, space) / nn_state.normalization(space)
msg = f"Trace of density matrix is not within {TOL} of 1!"
assertAlmostEqual(torch.trace(matrix[0]), torch.Tensor([1]), TOL, msg=msg)
def test_density_matrix_diagonal():
nn_state = DensityMatrix(5, gpu=False)
v = nn_state.generate_hilbert_space(5)
rho = nn_state.rho(v, expand=True)
diag = nn_state.rho(v, expand=False)
msg = "Diagonal of density matrix is wrong!"
assertAlmostEqual(torch.einsum("cii...->ci...", rho), diag, TOL, msg=msg)
def test_rotate_psi_inner_prod(num_visible, state_type, precompute_psi):
nn_state = state_type(num_visible, gpu=False)
basis = "X" * num_visible
unitary_dict = create_dict()
space = nn_state.generate_hilbert_space()
psi = nn_state.psi(space) if precompute_psi else None
psi_r = rotate_psi(nn_state, basis, space, unitary_dict, psi=psi)
psi_r_ip = rotate_psi_inner_prod(nn_state, basis, space, unitary_dict, psi=psi)
assertAlmostEqual(psi_r, psi_r_ip, msg="Fast psi inner product rotation failed!")
def test_rotate_psi(num_visible, wvfn_type):
nn_state = wvfn_type(num_visible, gpu=False)
basis = "X" * num_visible
unitary_dict = create_dict()
space = nn_state.generate_hilbert_space()
psi = nn_state.psi(space)
psi_r_fast = rotate_psi(nn_state, basis, space, unitary_dict, psi=psi)
U = reduce(cplx.kronecker_prod, [unitary_dict[b] for b in basis])
psi_r_correct = cplx.matmul(U, psi)
assertAlmostEqual(psi_r_fast, psi_r_correct, msg="Fast psi rotation failed!")
def test_rotate_rho(num_visible, state_type):
nn_state = state_type(num_visible, gpu=False)
basis = "X" * num_visible
unitary_dict = create_dict()
space = nn_state.generate_hilbert_space()
rho = nn_state.rho(space, space)
rho_r_fast = rotate_rho(nn_state, basis, space, unitary_dict, rho=rho)
U = reduce(cplx.kronecker_prod, [unitary_dict[b] for b in basis])
rho_r_correct = cplx.matmul(U, rho)
rho_r_correct = cplx.matmul(rho_r_correct, cplx.conjugate(U))
assertAlmostEqual(rho_r_fast, rho_r_correct, msg="Fast rho rotation failed!")
def test_density_matrix_expansion(prop):
qucumber.set_random_seed(INIT_SEED, cpu=True, gpu=False, quiet=True)
nn_state = DensityMatrix(5, gpu=False)
v = nn_state.generate_hilbert_space(5)
vp = v[torch.randperm(v.shape[0]), :]
prop_name = prop[0]
is_complex = prop[1]
args = prop[2:]
fn = attrgetter(prop_name)(nn_state)
matrix = fn(v, vp, *args, expand=True)
diag = fn(v, vp, *args, expand=False)
msg = f"Diagonal of matrix {prop_name} is wrong!"
equation = "cii...->ci..." if is_complex else "ii->i"
assertAlmostEqual(torch.einsum(equation, matrix), diag, TOL, msg=msg)
