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Fixed exp-val calculation by slicing and conjugate #93

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Feb 10, 2021
Merged

Fixed exp-val calculation by slicing and conjugate #93

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037f20c
Added the test for a potential slicing bug
Feb 10, 2021
ce89f39
Fixed a subtle bug in slicing exp-val calc
Feb 10, 2021
ba6739f
Fixed a bug in exp-val calc.
Feb 10, 2021
560f0b0
Added the infamous test circuit in python
Feb 10, 2021
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47 changes: 47 additions & 0 deletions python/examples/exp-val-calc.py
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Original file line number Diff line number Diff line change
@@ -0,0 +1,47 @@
import sys
from pathlib import Path
sys.path.insert(1, str(Path.home()) + '/.xacc')
import xacc
xacc.qasm('''
.compiler xasm
.circuit ansatz
.qbit q
U(q[1], 1.5708,0,3.14159);
U(q[0], 1.5708,1.5708,4.71239);
CNOT(q[0], q[1]);
U(q[2], 1.5708,-3.14159,3.14159);
U(q[3], 1.5708,0,3.14159);
CNOT(q[2], q[3]);
Rz(q[3], 0.101476);
CNOT(q[2], q[3]);
CNOT(q[1], q[2]);
CNOT(q[0], q[1]);
U(q[3], 1.5708,0,3.14159);
U(q[2], 1.5708,0,3.14159);
U(q[0], 1.5708,1.5708,4.71239);
U(q[1], 1.5708,0,3.14159);
''')
ansatz = xacc.getCompiled('ansatz')
#qpu = xacc.getAccelerator('qsim')
qpu = xacc.getAccelerator('tnqvm:exatn', {"exp-val-by-conjugate": True, "max-qubit": 2})
print("QPU:", qpu.name())
buffer = xacc.qalloc(4)
geom = '''
Na 0.000000 0.0 0.0
H 0.0 0.0 1.914388
'''
fo = [0, 1, 2, 3, 4, 10, 11, 12, 13, 14]
ao = [5, 9, 15, 19]
H = xacc.getObservable('pyscf', {'basis': 'sto-3g', 'geometry': geom,
'frozen-spin-orbitals': fo, 'active-spin-orbitals': ao})
# print(H.toString())
opt = xacc.getOptimizer('nlopt')
vqe = xacc.getAlgorithm('vqe', {
'ansatz': ansatz,
'accelerator': qpu,
'observable': H,
'optimizer': opt
})
# # xacc.set_verbose(True)
energy = vqe.execute(buffer, [])
print('Energy = ', energy)
42 changes: 42 additions & 0 deletions tnqvm/tests/ExatnExpValSumReduceTester.cpp
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Expand Up @@ -80,6 +80,48 @@ TEST(ExatnExpValSumReduceTester, testDeuteron) {
}
}

TEST(ExatnExpValSumReduceTester, testSliceOfMultipleQubits) {
auto accelerator = xacc::getAccelerator(
"tnqvm", {{"tnqvm-visitor", "exatn"}, {"max-qubit", 2}});
xacc::qasm(R"(
.compiler xasm
.circuit test_circuit
.qbit q
U(q[1], 1.5708,0,3.14159);
U(q[0], 1.5708,1.5708,4.71239);
CNOT(q[0], q[1]);
U(q[2], 1.5708,-3.14159,3.14159);
U(q[3], 1.5708,0,3.14159);
CNOT(q[2], q[3]);
Rz(q[3], 0.101476);
CNOT(q[2], q[3]);
CNOT(q[1], q[2]);
CNOT(q[0], q[1]);
U(q[3], 1.5708,0,3.14159);
U(q[2], 1.5708,0,3.14159);
U(q[0], 1.5708,1.5708,4.71239);
U(q[1], 1.5708,0,3.14159);
H(q[0]);
H(q[1]);
H(q[2]);
H(q[3]);
Measure(q[0]);
Measure(q[1]);
Measure(q[2]);
Measure(q[3]);
)");

auto program = xacc::getCompiled("test_circuit");
auto buffer = xacc::qalloc(4);
accelerator->execute(buffer, program);
buffer->print();
// Validate with QPP
auto qpp = xacc::getAccelerator("qpp");
auto buffer_qpp = xacc::qalloc(4);
qpp->execute(buffer_qpp, program);
EXPECT_NEAR(buffer->getExpectationValueZ(), buffer_qpp->getExpectationValueZ(), 1e-6);
}

TEST(ExatnExpValSumReduceTester, testDeuteronH3) {
auto accelerator = xacc::getAccelerator(
"tnqvm", {{"tnqvm-visitor", "exatn"}, {"max-qubit", 2}});
Expand Down
8 changes: 6 additions & 2 deletions tnqvm/visitors/exatn/ExatnVisitor.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -1618,8 +1618,8 @@ double ExatnVisitor<TNQVM_COMPLEX_TYPE>::getExpectationValueZBySlicing() {
// Loop to be parallelized
if (getNumMpiProcs() <= 1) {
std::vector<double> partialExpectationValues(nbProjectedPaths);
bool evenParity = true;
for (int i = 0; i < nbProjectedPaths; ++i) {
bool evenParity = true;
// Open legs: 0-m_maxQubit
std::vector<int> bitString(m_maxQubit, -1);
for (int64_t bitIdx = 0; bitIdx < nbProjectedQubits; ++bitIdx) {
Expand Down Expand Up @@ -1681,9 +1681,9 @@ double ExatnVisitor<TNQVM_COMPLEX_TYPE>::getExpectationValueZBySlicing() {
<< "]: Start = " << processStartIdx
<< "; End = " << processEndIdx << "\n";
xacc::info(ss.str());
bool evenParity = true;
int64_t vectorIdx = 0;
for (int64_t i = processStartIdx; i < processEndIdx; ++i) {
bool evenParity = true;
// Open legs: 0-m_maxQubit
std::vector<int> bitString(m_maxQubit, -1);
for (int64_t bitIdx = 0; bitIdx < nbProjectedQubits; ++bitIdx) {
Expand Down Expand Up @@ -1765,6 +1765,8 @@ ExatnVisitor<TNQVM_COMPLEX_TYPE>::getExpectationValueZByAppendingConjugate(
std::shared_ptr<CompositeInstruction> in_function) {
// Cache the current tensor network:
exatn::TensorNetwork cacheTensorNet = m_tensorNetwork;
const auto cachedIdCounter = m_tensorIdCounter;
auto cachedTensorList = m_appendedGateTensors;
InstructionIterator it(in_function);
// Add remaining instructions:
while (it.hasNext()) {
Expand All @@ -1778,6 +1780,8 @@ ExatnVisitor<TNQVM_COMPLEX_TYPE>::getExpectationValueZByAppendingConjugate(
m_measureQbIdx.clear();
// Restore the base tensor network
m_tensorNetwork = cacheTensorNet;
m_tensorIdCounter = cachedIdCounter;
m_appendedGateTensors = cachedTensorList;
return result;
}

Expand Down