def __init__(self, molecule, slice_index=-1):
"""See class fields for parameter definitions.
"""
super()
self.molecule = molecule
self.slice_index = slice_index
# If the slice index is -1, the full circuit is being optimized.
if self.slice_index == -1:
self.circuit = UCCSD_DATA[molecule]["CIRCUIT"]
self.file_name = "full"
self.lr = UCCSD_DATA[molecule]["FULL_DATA"]["HP"]["lr"]
self.decay = UCCSD_DATA[molecule]["FULL_DATA"]["HP"]["decay"]
else:
self.circuit = UCCSD_DATA[molecule]["SLICES"][slice_index].circuit
self.file_name = "s{}".format(slice_index)
self.lr = UCCSD_DATA[molecule]["SLICE_DATA"]["HP"][slice_index][
"lr"]
self.decay = UCCSD_DATA[molecule]["SLICE_DATA"]["HP"][slice_index][
"decay"]
self.unitary = get_unitary(self.circuit)
self.grape_config = UCCSD_DATA[molecule]["GRAPE_CONFIG"]
self.grape_config.update(GRAPE_TASK_CONFIG)
self.data_path = os.path.join(BASE_DATA_PATH,
"uccsd_{}".format(molecule.lower()))
# TODO: We assume BASE_DAT_PATH exists.
if not os.path.exists(self.data_path):
os.mkdir(self.data_path)
def __init__(self, molecule, rz_index):
"""See class fields for parameter definitions.
"""
super()
self.molecule = molecule
self.rz_index = rz_index
# Get circuit, cqp and slice_index.
pickle_file_name = "{}_circuits.pickle".format(molecule.lower())
pickle_file_path = os.path.join(HPO_DATA_PATH, pickle_file_name)
with open(pickle_file_path, "rb") as f:
rz_indices, circuit_list = pickle.load(f)
slice_index = rz_indices[self.rz_index]
circuit, connected_qubit_pairs = circuit_list[slice_index]
self.slice_index = slice_index
self.circuit = circuit
self.connected_qubit_pairs = connected_qubit_pairs
self.unitary = get_unitary(circuit)
self.file_name = "s{}".format(slice_index)
datadir_name = "uccsd_{}".format(molecule.lower())
self.data_path = os.path.join(TIME_DATA_PATH, datadir_name)
# TODO: We assume TIME_DATA_PATH exists.
if not os.path.exists(self.data_path):
os.mkdir(self.data_path)
# Get grape config.
# Set grape parameters.
num_qubits = self.circuit.width()
H0 = np.zeros((NUM_STATES ** num_qubits, NUM_STATES ** num_qubits))
Hops, Hnames = get_Hops_and_Hnames(num_qubits, NUM_STATES, self.connected_qubit_pairs)
states_concerned_list = get_full_states_concerned_list(num_qubits, NUM_STATES)
maxA = get_maxA(num_qubits, NUM_STATES, self.connected_qubit_pairs)
reg_coeffs = {}
self.grape_config = {
"H0": H0,
"Hops": Hops,
"Hnames": Hnames,
"states_concerned_list": states_concerned_list,
"reg_coeffs": reg_coeffs,
"maxA": maxA,
}
self.grape_config.update(GRAPE_TASK_CONFIG)
# Get hyperparameters by choosing the configuration with the lowest loss.
best_data = {"loss": 1}
hpo_file_name = "{}.json".format(self.file_name)
hpo_file_path = os.path.join(HPO_DATA_PATH, datadir_name, hpo_file_name)
with open(hpo_file_path) as f:
line = f.readline()
while line:
data = json.loads(line)
if data["loss"] < best_data["loss"]:
best_data = data
line = f.readline()
#ENDWITH
self.lr = best_data["lr"]
self.decay = best_data["decay"]
def __init__(self, molecule, slice_index, circuit, connected_qubit_pairs):
"""See corresponding class field declarations above for other arguments.
"""
super()
self.molecule = molecule
self.slice_index = slice_index
self.circuit = circuit
self.connected_qubit_pairs = connected_qubit_pairs
self.unitary = get_unitary(self.circuit)
if self.circuit.depth() > REDUCED_CIRCUIT_DEPTH_CUTOFF:
self.pulse_time = get_max_pulse_time(
self.circuit) * PULSE_TIME_MULTIPLIER
else:
self.pulse_time = get_max_pulse_time(
self.circuit) * REDUCED_PULSE_TIME_MULTIPLIER
self.file_name = "s{}".format(self.slice_index)
self.data_path = os.path.join(BASE_DATA_PATH,
"uccsd_{}".format(molecule.lower()))
# TODO: We assume BASE_DATA_PATH exists.
if not os.path.exists(self.data_path):
os.mkdir(self.data_path)
# Set grape parameters.
num_qubits = self.circuit.width()
H0 = np.zeros((NUM_STATES**num_qubits, NUM_STATES**num_qubits))
Hops, Hnames = get_Hops_and_Hnames(num_qubits, NUM_STATES,
self.connected_qubit_pairs)
states_concerned_list = get_full_states_concerned_list(
num_qubits, NUM_STATES)
maxA = get_maxA(num_qubits, NUM_STATES, self.connected_qubit_pairs)
reg_coeffs = {}
self.grape_config = {
"H0": H0,
"Hops": Hops,
"Hnames": Hnames,
"states_concerned_list": states_concerned_list,
"reg_coeffs": reg_coeffs,
"maxA": maxA,
}
self.grape_config.update(GRAPE_TASK_CONFIG)
def __init__(self, molecule, slice_index=-1):
"""See corresponding class field declarations above for other arguments.
"""
super()
self.molecule = molecule
self.slice_index = slice_index
# If the slice index is -1, the full circuit is being optimized.
if self.slice_index == -1:
self.circuit = UCCSD_DATA[molecule]["CIRCUIT"]
self.file_name = "full"
else:
self.circuit = UCCSD_DATA[molecule]["SLICES"][slice_index].circuit
self.file_name = "s{}".format(slice_index)
self.unitary = get_unitary(self.circuit)
self.grape_config = UCCSD_DATA[molecule]["GRAPE_CONFIG"]
self.grape_config.update(GRAPE_TASK_CONFIG)
self.pulse_time = get_max_pulse_time(self.circuit) * PULSE_TIME_MULTIPLIER
self.data_path = os.path.join(BASE_DATA_PATH,
"uccsd_{}".format(molecule.lower()))
# TODO: We assume BASE_DATA_PATH exists.
if not os.path.exists(self.data_path):
os.mkdir(self.data_path)
for slice_circuit, block, connected_qubit_pairs in zip(
slice_circuits, blocking.blocks, blocking.connected_qubit_pairs_list):
for index in block:
assert len(slice_circuit.qregs) == 1
slice_circuit.iden(slice_circuit.qregs[0][index])
slice_circuit = util.squash_circuit(slice_circuit)
N = slice_circuit.width()
H0 = hamiltonian.get_H0(N, d)
Hops, Hnames = hamiltonian.get_Hops_and_Hnames(N, d, connected_qubit_pairs)
states_concerned_list = hamiltonian.get_full_states_concerned_list(N, d)
maxA = hamiltonian.get_maxA(N, d, connected_qubit_pairs)
max_time = (3 * N) * 5.0 * graph_p
time = 0.0
for subslice in uccsd.get_uccsd_slices(slice_circuit, granularity=1):
if subslice.parameterized:
time += util.circuitutil.get_max_pulse_time(subslice.circuit)
else:
U = util.get_unitary(subslice.circuit)
time += binary_search_for_shortest_pulse_time(0.0,
max_time,
tolerance=0.3)
times.append(time)
print('\n\n\n')
print(times)
print('TIME FOR SLICE IS:')
print(max(times))
slice_circuits_list.append((slice_circuits, blocking))
gates = remaining_gates
blockings_index = (blockings_index + 1) % len(blockings)
slice_circuits, blocking = slice_circuits_list[int(sys.argv[1])]
# HACK ALERT: to preserve all qubits, I add a dummy identity on each qubit, then squash
times = []
for slice_circuit, block, connected_qubit_pairs in zip(
slice_circuits, blocking.blocks, blocking.connected_qubit_pairs_list):
for index in block:
assert len(slice_circuit.qregs) == 1
slice_circuit.iden(slice_circuit.qregs[0][index])
slice_circuit = util.squash_circuit(slice_circuit)
U = util.get_unitary(slice_circuit)
N = slice_circuit.width()
H0 = hamiltonian.get_H0(N, d)
Hops, Hnames = hamiltonian.get_Hops_and_Hnames(N, d, connected_qubit_pairs)
states_concerned_list = hamiltonian.get_full_states_concerned_list(N, d)
maxA = hamiltonian.get_maxA(N, d, connected_qubit_pairs)
max_time = (2**N) * 5.0
times.append(
binary_search_for_shortest_pulse_time(0.0, max_time, tolerance=0.3))
print('\n\n\n')
print(times)
print('TIME FOR SLICE IS:')
print(max(times))
def unitary(self):
"""Return the unitary corresponding to the slice's circuit.
Returns: unitary :: np.matrix - the unitary corresponding to the
slice's circuit
"""
return get_unitary(self.circuit)
