def set_circuit_rhfZ(n_qubits, n_electrons):
"""Function:
Construct circuit for RHF |0000...1111> with one ancilla
Author(s): Takashi Tsuchimochi
"""
circuit = QuantumCircuit(n_qubits)
for i in range(n_electrons):
circuit.add_X_gate(i)
return circuit
def set_circuit_rhf(n_qubit_system, n_electrons):
"""Function:
Construct circuit for RHF |0000...1111>
Author(s): Yuto Mori
"""
circuit = QuantumCircuit(n_qubit_system)
for i in range(n_electrons):
circuit.add_X_gate(i)
return circuit
def make_gate(n, index, pauli_id):
"""ゲートを作る関数"""
circuit = QuantumCircuit(n)
for i in range(len(index)):
gate_number = index[i]
if pauli_id[i] == 1:
circuit.add_X_gate(gate_number)
elif pauli_id[i] == 2:
circuit.add_Y_gate(gate_number)
elif pauli_id[i] == 3:
circuit.add_Z_gate(gate_number)
return circuit
def set_circuit_rohf(n_qubit_system, noa, nob):
"""Function:
Construct circuit for ROHF |0000...10101111>
Author(s): Yuto Mori, Takashi Tsuchimochi
"""
circuit = QuantumCircuit(n_qubit_system)
for i in range(noa):
circuit.add_X_gate(2 * i)
for i in range(nob):
circuit.add_X_gate(2 * i + 1)
return circuit
def set_circuit_rohfZ(n_qubits, noa, nob):
"""Function:
Construct circuit for ROHF |0000...10101111> with one ancilla
Author(s): Takashi Tsuchimochi
"""
# generate circuit for rhf
circuit = QuantumCircuit(n_qubits)
for i in range(noa):
circuit.add_X_gate(2 * i)
for i in range(nob):
circuit.add_X_gate(2 * i + 1)
return circuit
def func():
def copy_circuit(c):
ret = QuantumCircuit(2)
for i in range(c.get_gate_count()):
gate = c.get_gate(i)
ret.add_gate(gate)
return ret
circuit = QuantumCircuit(2)
circuit.add_X_gate(0)
circuit.add_Y_gate(1)
copied = copy_circuit(circuit)
return copied
def qtest(angle):
state = QuantumState(3)
state.set_Haar_random_state()
circuit = QuantumCircuit(3)
circuit.add_X_gate(0)
merged_gate = merge(CNOT(0, 1), Y(1))
circuit.add_gate(merged_gate)
circuit.add_RX_gate(1, angle)
circuit.update_quantum_state(state)
observable = Observable(3)
observable.add_operator(2.0, "X 2 Y 1 Z 0")
observable.add_operator(-3.0, "Z 2")
result = observable.get_expectation_value(state)
output = {'energy': result}
return (output)
def cost_phf_sample(Quket, print_level,
qulacs_hamiltonian, qulacs_hamiltonianZ, qulacs_s2Z,
qulacs_ancZ, coef0_H, coef0_S2, ref, theta_list,
samplelist):
"""Function:
Sample Hamiltonian and S**2 expectation values with PHF and PUCCSD.
Write out the statistics in csv files.
Author(s): Takashi Tsuchimochi
"""
t1 = time.time()
noa = Quket.noa
nob = Quket.nob
nva = Quket.nva
nvb = Quket.nvb
n_electrons = Quket.n_electrons
n_qubit_system = n_qubits
n_qubits = Quket.n_qubits + 1
anc = n_qubit_system
ndim1 = Quket.ndim1
state = QuantumState(n_qubits)
circuit_rhf = set_circuit_rhfZ(n_qubits, n_electrons)
circuit_rhf.update_quantum_state(state)
if ref == "phf":
circuit_uhf = set_circuit_uhfZ(n_qubits, noa, nob, nva, nvb, theta_list)
circuit_uhf.update_quantum_state(state)
print("pHF")
elif ref == "puccsd":
circuit = set_circuit_uccsd(n_qubits, noa, nob, nva, nvb, theta_list,
ndim1)
for i in range(rho):
circuit.update_quantum_state(state)
print("UCCSD")
if print_level > -1:
print("State before projection")
utils.print_state(state, n_qubit_system)
#### Set post-measurement states ####
#poststate0 = state.copy()
#poststate1 = state.copy()
#circuit0 = QuantumCircuit(n_qubits)
#circuit1 = QuantumCircuit(n_qubits)
#### Projection to anc = 0 or anc = 1 ###
#circuit0.add_gate(P0(0))
#circuit1.add_gate(P1(0))
#circuit0.update_quantum_state(poststate0)
#circuit1.update_quantum_state(poststate1)
#### Renormalize each state ###
#norm0 = poststate0.get_squared_norm()
#norm1 = poststate1.get_squared_norm()
#poststate0.normalize(norm0)
#poststate1.normalize(norm1)
### grid loop ###
Ng = 4
beta = [-0.861136311594053, -0.339981043584856,
0.339981043584856, 0.861136311594053]
wg = [0.173927422568724, 0.326072577431273,
0.326072577431273, 0.173927422568724]
Ng = 2
beta = [0.577350269189626, -0.577350269189626]
wg = [0.5, 0.5]
### a list to compute the probability to observe 0 in ancilla qubit
p0_list = np.full(n_qubits, 2)
p0_list[-1] = 0
### Array for <HUg>, <S2Ug>, <Ug>
# samplelist = [10,100,1000,10000,100000,1000000,10000000]
ncyc = 4
prints("", filepath="./log2.txt")
for i_sample in samplelist:
i_sample_x = i_sample
if i_sample == 10000000:
print("OK")
ncyc = ncyc*10
i_sample_x = 1000000
sampleHUg1 = []
sampleHUg2 = []
sampleHUg3 = []
sampleHUg4 = []
sampleS2Ug1 = []
sampleS2Ug2 = []
sampleS2Ug3 = []
sampleS2Ug4 = []
sampleUg1 = []
sampleUg2 = []
sampleUg3 = []
sampleUg4 = []
# sampleEn = []
# sampleS2 = []
sampleHUg = np.zeros((ncyc, Ng))
sampleS2Ug = np.zeros((ncyc, Ng))
sampleUg = np.zeros((ncyc, Ng))
sampleEn = np.zeros((ncyc, 1))
sampleS2 = np.zeros((ncyc, 1))
for icyc in range(ncyc):
prints(f"n_sample = {i_sample_x} ({icyc} / {ncyc})",
filepath="./log2.txt")
HUg = []
S2Ug = []
Ug = []
Ephf = S2 = Norm = 0
for i in range(Ng):
### Copy quantum state of UHF (cannot be done in real device) ###
state_g = QuantumState(n_qubits)
state_g.load(state)
### Construct Ug test
circuit_ug = QuantumCircuit(n_qubits)
### Hadamard on anc
circuit_ug.add_H_gate(anc)
controlled_Ug(circuit_ug, n_qubits, anc, np.arccos(beta[i]))
circuit_ug.add_H_gate(anc)
circuit_ug.update_quantum_state(state_g)
### Set post-measurement states ####
poststate0 = state_g.copy()
poststate1 = state_g.copy()
circuit0 = QuantumCircuit(n_qubits)
circuit1 = QuantumCircuit(n_qubits)
### Projection to anc = 0 or anc = 1 ###
circuit0.add_gate(P0(anc))
circuit1.add_gate(P1(anc))
circuit0.update_quantum_state(poststate0)
circuit1.update_quantum_state(poststate1)
### Renormalize each state ###
norm0 = poststate0.get_squared_norm()
norm1 = poststate1.get_squared_norm()
poststate0.normalize(norm0)
poststate1.normalize(norm1)
### Set ancilla qubit of poststate1 to zero (so that it won't be used) ###
circuit_anc = QuantumCircuit(n_qubits)
circuit_anc.add_X_gate(anc)
circuit_anc.update_quantum_state(poststate1)
print(
test_transition_observable(
state_g, qulacs_hamiltonianZ,
poststate0, poststate1, 100000))
# exit()
### Probabilities for getting 0 and 1 in ancilla qubit ###
p0 = state_g.get_marginal_probability(p0_list)
p1 = 1 - p0
### Compute expectation value <HUg> ###
HUg.append(sample_observable(state_g,
qulacs_hamiltonianZ,
i_sample_x).real)
#HUg.append(adaptive_sample_observable(state_g,
# qulacs_hamiltonianZ,
# i_sample_x).real)
### <S2Ug> ###
S2Ug.append(sample_observable(state_g,
qulacs_s2Z,
i_sample_x).real)
#S2Ug.append(adaptive_sample_observable(state_g,
# qulacs_s2Z,
# i_sample_x).real)
#S2Ug.append(qulacs_s2Z.get_expectation_value(state_g))
#HUg.append(0)
#S2Ug.append(0)
#Ug.append(p0 - p1)
n_term = qulacs_hamiltonianZ.get_term_count()
n_sample_total = i_sample_x * n_term
# in the worst-case scenario,
# Ug is measured as many times as n_sample_total
#(required to evaluate HUg)
Ug.append(sample_observable(state_g,
qulacs_ancZ,
i_sample_x*n_term).real)
#p0_sample = 0
#for j_sample in range(n_sample_total):
# if(p0 > np.random.rand()):
# p0_sample += 1
#Ug.append(2*p0_sample/n_sample_total - 1)
### Norm accumulation ###
Norm += wg[i]*Ug[i]
sampleHUg[icyc, i] = HUg[i]
sampleS2Ug[icyc, i] = S2Ug[i]
sampleUg[icyc, i] = Ug[i]
#print('p0 : ',p0,' p1 : ',p1, ' p0 - p1 : ',p0-p1)
sampleHUg1.append(HUg[0])
sampleHUg2.append(HUg[1])
#sampleHUg3.append(HUg[2])
#sampleHUg4.append(HUg[3])
sampleS2Ug1.append(S2Ug[0])
sampleS2Ug2.append(S2Ug[1])
#sampleS2Ug3.append(S2Ug[2])
#sampleS2Ug4.append(S2Ug[3])
sampleUg1.append(Ug[0])
sampleUg2.append(Ug[1])
#sampleUg3.append(Ug[2])
#sampleUg4.append(Ug[3])
### Energy calculation <HP>/<P> and <S**2P>/<P> ###
Ephf = 0
for i in range(Ng):
Ephf += wg[i]*HUg[i]/Norm
S2 += wg[i]*S2Ug[i]/Norm
# print(" <S**2> = ", S2, '\n')
Ephf += coef0_H
S2 += coef0_S2
sampleEn[icyc, 0] = Ephf
sampleS2[icyc, 0] = S2
# print(" <E[PHF]> (Nsample = ",i_sample,") = ", Ephf)
#print(f"(n_sample = {i_sample}): sample HUg1\n",sampleHUg1)
#print(f"(n_sample = {i_sample}): sample HUg2\n",sampleHUg2)
#print(f"(n_sample = {i_sample}): sample HUg3\n",sampleHUg3)
#print(f"(n_sample = {i_sample}): sample HUg4\n",sampleHUg4)
#print(f"(n_sample = {i_sample}): sample S2Ug1\n",sampleS2Ug1)
#print(f"(n_sample = {i_sample}): sample S2Ug2\n",sampleS2Ug2)
#print(f"(n_sample = {i_sample}): sample S2Ug3\n",sampleS2Ug3)
#print(f"(n_sample = {i_sample}): sample S2Ug4\n",sampleS2Ug4)
#print(f"(n_sample = {i_sample}): sample Ug1\n",sampleUg1)
#print(f"(n_sample = {i_sample}): sample Ug2\n",sampleUg2)
#print(f"(n_sample = {i_sample}): sample Ug3\n",sampleUg3)
#print(f"(n_sample = {i_sample}): sample Ug4\n",sampleUg4)
#print(f"(n_sample = {i_sample}): sample HUg1\n",sampleHUg1)
#print(f"(n_sample = {i_sample}): sample HUg2\n",sampleHUg2)
#print(f"(n_sample = {i_sample}): sample HUg3\n",sampleHUg3)
#print(f"(n_sample = {i_sample}): sample HUg4\n",sampleHUg4)
#print(f"(n_sample = {i_sample}): sample En\n",sampleEn)
#print(f"(n_sample = {i_sample}): sample S2\n",sampleS2)
with open(f"./Ug_{i_sample}.csv", "w") as fUg:
writer = csv.writer(fUg)
writer.writerows(sampleUg)
with open(f"./HUg_{i_sample}.csv", "w") as fHUg:
writer = csv.writer(fHUg)
writer.writerows(sampleHUg)
with open(f"./S2Ug_{i_sample}.csv", "w") as fS2Ug:
writer = csv.writer(fS2Ug)
writer.writerows(sampleS2Ug)
with open(f"./En_{i_sample}.csv", "w") as fEn:
writer = csv.writer(fEn)
writer.writerows(sampleEn)
with open(f"./S2_{i_smaple}.csv", "w") as fS2:
writer = csv.writer(fS2)
writer.writerows(sampleS2)
return Ephf, S2
def _try_append_gate(self, op: ops.GateOperation,
qulacs_circuit: qulacs.QuantumCircuit,
indices: np.array):
# One qubit gate
if isinstance(op.gate, ops.pauli_gates._PauliX):
qulacs_circuit.add_X_gate(indices[0])
elif isinstance(op.gate, ops.pauli_gates._PauliY):
qulacs_circuit.add_Y_gate(indices[0])
elif isinstance(op.gate, ops.pauli_gates._PauliZ):
qulacs_circuit.add_Z_gate(indices[0])
elif isinstance(op.gate, ops.common_gates.HPowGate):
qulacs_circuit.add_H_gate(indices[0])
elif isinstance(op.gate, ops.common_gates.XPowGate):
qulacs_circuit.add_RX_gate(indices[0], -np.pi * op.gate._exponent)
elif isinstance(op.gate, ops.common_gates.YPowGate):
qulacs_circuit.add_RY_gate(indices[0], -np.pi * op.gate._exponent)
elif isinstance(op.gate, ops.common_gates.ZPowGate):
qulacs_circuit.add_RZ_gate(indices[0], -np.pi * op.gate._exponent)
elif isinstance(op.gate, ops.SingleQubitMatrixGate):
mat = op.gate._matrix
qulacs_circuit.add_dense_matrix_gate(indices[0], mat)
elif isinstance(op.gate, circuits.qasm_output.QasmUGate):
lmda = op.gate.lmda
theta = op.gate.theta
phi = op.gate.phi
gate = qulacs.gate.U3(indices[0], theta * np.pi, phi * np.pi,
lmda * np.pi)
qulacs_circuit.add_gate(gate)
# Two qubit gate
elif isinstance(op.gate, ops.common_gates.CNotPowGate):
if op.gate._exponent == 1.0:
qulacs_circuit.add_CNOT_gate(indices[0], indices[1])
else:
mat = _get_google_rotx(op.gate._exponent)
gate = qulacs.gate.DenseMatrix(indices[1], mat)
gate.add_control_qubit(indices[0], 1)
qulacs_circuit.add_gate(gate)
elif isinstance(op.gate, ops.common_gates.CZPowGate):
if op.gate._exponent == 1.0:
qulacs_circuit.add_CZ_gate(indices[0], indices[1])
else:
mat = _get_google_rotz(op.gate._exponent)
gate = qulacs.gate.DenseMatrix(indices[1], mat)
gate.add_control_qubit(indices[0], 1)
qulacs_circuit.add_gate(gate)
elif isinstance(op.gate, ops.common_gates.SwapPowGate):
if op.gate._exponent == 1.0:
qulacs_circuit.add_SWAP_gate(indices[0], indices[1])
else:
qulacs_circuit.add_dense_matrix_gate(indices, op._unitary_())
elif isinstance(op.gate, ops.parity_gates.XXPowGate):
qulacs_circuit.add_multi_Pauli_rotation_gate(
indices, [1, 1], -np.pi * op.gate._exponent)
elif isinstance(op.gate, ops.parity_gates.YYPowGate):
qulacs_circuit.add_multi_Pauli_rotation_gate(
indices, [2, 2], -np.pi * op.gate._exponent)
elif isinstance(op.gate, ops.parity_gates.ZZPowGate):
qulacs_circuit.add_multi_Pauli_rotation_gate(
indices, [3, 3], -np.pi * op.gate._exponent)
elif isinstance(op.gate, ops.TwoQubitMatrixGate):
indices.reverse()
mat = op.gate._matrix
qulacs_circuit.add_dense_matrix_gate(indices, mat)
# Three qubit gate
"""
# deprecated because these functions cause errors in gpu
elif isinstance(op.gate, ops.three_qubit_gates.CCXPowGate):
mat = _get_google_rotx(op.gate._exponent)
gate = qulacs.gate.DenseMatrix(indices[2], mat)
gate.add_control_qubit(indices[0],1)
gate.add_control_qubit(indices[1],1)
qulacs_circuit.add_gate(gate)
elif isinstance(op.gate, ops.three_qubit_gates.CCZPowGate):
mat = _get_google_rotz(op.gate._exponent)
gate = qulacs.gate.DenseMatrix(indices[2], mat)
gate.add_control_qubit(indices[0],1)
gate.add_control_qubit(indices[1],1)
qulacs_circuit.add_gate(gate)
"""
elif isinstance(op.gate, ops.three_qubit_gates.CSwapGate):
mat = np.zeros(shape=(4, 4))
mat[0, 0] = 1
mat[1, 2] = 1
mat[2, 1] = 1
mat[3, 3] = 1
gate = qulacs.gate.DenseMatrix(indices[1:], mat)
gate.add_control_qubit(indices[0], 1)
qulacs_circuit.add_gate(gate)
# Misc
elif protocols.has_unitary(op):
indices.reverse()
mat = op._unitary_()
qulacs_circuit.add_dense_matrix_gate(indices, mat)
# Not unitary
else:
return False
return True
def main():
## Example1
circuit = QuantumCircuit(3)
circuit.add_X_gate(0)
circuit.add_Y_gate(1)
circuit.add_Z_gate(2)
circuit.add_dense_matrix_gate([0,1], [[1,0,0,0],[0,1,0,0],[0,0,0,1],[0,0,1,0]])
circuit.add_CNOT_gate(2,0)
circuit.add_X_gate(2)
draw_circuit(circuit, verbose=1)
## Example2
circuit = QuantumCircuit(3)
circuit.add_X_gate(0)
circuit.add_Y_gate(1)
circuit.add_dense_matrix_gate([0,1], [[1,0,0,0],[0,1,0,0],[0,0,0,1],[0,0,1,0]])
circuit.add_Z_gate(2)
circuit.add_CNOT_gate(2,0)
circuit.add_X_gate(2)
draw_circuit(circuit, verbose=1)
## Example3
circuit = QuantumCircuit(3)
circuit.add_X_gate(1)
circuit.add_CZ_gate(0,2)
circuit.add_X_gate(1)
draw_circuit(circuit)
## Example4
circuit = QuantumCircuit(4)
##CCX0,2, 3
cx_gate = CNOT(2,3)
cx_mat_gate = to_matrix_gate(cx_gate)
control_index = 0
control_with_value = 1
cx_mat_gate.add_control_qubit(control_index, control_with_value)
circuit.add_gate(cx_mat_gate)
##CCX1,2, 3
ccx = TOFFOLI(1,2, 3)
circuit.add_gate(ccx)
##CCX1,2, 0
ccx = TOFFOLI(1,2, 0)
circuit.add_gate(ccx)
##CCX1,3, 0
ccx = TOFFOLI(1,3, 0)
circuit.add_gate(ccx)
##CCX1,3, 2
ccx = TOFFOLI(1,3, 2)
circuit.add_gate(ccx)
##SWAP0,1
circuit.add_SWAP_gate(0,1)
##SWAP0,2
circuit.add_SWAP_gate(0,2)
##SWAP1,3
circuit.add_SWAP_gate(1,3)
draw_circuit(circuit, verbose=1)
## Example5
circuit = QuantumCircuit(5)
## 3-qubit gate applied to [0,1,2]
mat = np.identity(2**3)
circuit.add_dense_matrix_gate([0,1,2], mat)
## 3-qubit gate applied to [0,3,4], and [1] qubit is control-qubit
c_dense_gate = DenseMatrix([0,3,4], mat)
control_index = 1
control_with_value = 1
c_dense_gate.add_control_qubit(control_index, control_with_value)
circuit.add_gate(c_dense_gate)
## 3-qubit gate applied to [0,2,4]
circuit.add_dense_matrix_gate([0,2,4], mat)
## SWAP gate aplied to [1,3], and [2] qubit is control-qubit
swp_gate = to_matrix_gate(SWAP(1,3))
control_index = 2
control_with_value = 1
swp_gate.add_control_qubit(control_index, control_with_value)
circuit.add_gate(swp_gate)
draw_circuit(circuit)