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remove use of get_raw_data and for_each_term #114

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remove use of get_raw_data and for_each_term #114

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15 changes: 11 additions & 4 deletions libs/qec/lib/stabilizer_utils.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -62,6 +62,13 @@ to_parity_matrix(const std::vector<cudaq::spin_op> &stabilizers,
p_stabilizers = &stabilizers_copy;
}

auto isZ = [](const cudaq::spin_op &op, std::size_t idx) {
return op.to_string(false)[idx] == 'Z';
};
auto isX = [](const cudaq::spin_op &op, std::size_t idx) {
return op.to_string(false)[idx] == 'X';
};

if (type == stabilizer_type::XZ) {
auto numQubits = (*p_stabilizers)[0].num_qubits();
cudaqx::tensor<uint8_t> t({p_stabilizers->size(), 2 * numQubits});
Expand All @@ -76,7 +83,7 @@ to_parity_matrix(const std::vector<cudaq::spin_op> &stabilizers,
// Need to shift Z bits left
for (std::size_t row = 0; row < numZRows; row++) {
for (std::size_t i = numQubits; i < 2 * numQubits; i++) {
if ((*p_stabilizers)[row].get_raw_data().first[0][i])
if (isZ((*p_stabilizers)[row], i - numQubits))
t.at({row, i - numQubits}) = 1;
}
}
Expand All @@ -85,7 +92,7 @@ to_parity_matrix(const std::vector<cudaq::spin_op> &stabilizers,

for (std::size_t row = 0; row < numXRows; row++) {
for (std::size_t i = 0; i < numQubits; i++) {
if ((*p_stabilizers)[numZRows + row].get_raw_data().first[0][i])
if (isX((*p_stabilizers)[numZRows + row], i))
t.at({numZRows + row, i + numQubits}) = 1;
}
}
Expand All @@ -109,7 +116,7 @@ to_parity_matrix(const std::vector<cudaq::spin_op> &stabilizers,
cudaqx::tensor<uint8_t> ret({numZRows, numQubits});
for (std::size_t row = 0; row < numZRows; row++) {
for (std::size_t i = numQubits; i < 2 * numQubits; i++) {
if ((*p_stabilizers)[row].get_raw_data().first[0][i])
if (isZ((*p_stabilizers)[row], i - numQubits))
ret.at({row, i - numQubits}) = 1;
}
}
Expand All @@ -134,7 +141,7 @@ to_parity_matrix(const std::vector<cudaq::spin_op> &stabilizers,
cudaqx::tensor<uint8_t> ret({numXRows, numQubits});
for (std::size_t row = 0; row < numXRows; row++) {
for (std::size_t i = 0; i < numQubits; i++) {
if ((*p_stabilizers)[numZRows + row].get_raw_data().first[0][i])
if (isX((*p_stabilizers)[numZRows + row], i))
ret.at({row, i}) = 1;
}
}
Expand Down
48 changes: 3 additions & 45 deletions libs/solvers/lib/operators/operator_pools/spin_complement_gsd.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -48,21 +48,7 @@ spin_complement_gsd::generate(const heterogeneous_map &config) const {
adag(numQubits, p) * a(numQubits, q);
oneElectron += adag(numQubits, q + 1) * a(numQubits, p + 1) -
adag(numQubits, p + 1) * a(numQubits, q + 1);

std::unordered_map<cudaq::spin_op::spin_op_term, std::complex<double>>
terms;
oneElectron.for_each_term([&](cudaq::spin_op &term) {
auto coeff = term.get_coefficient();
if (std::fabs(coeff.real()) < 1e-12 && std::fabs(coeff.imag()) < 1e-12)
return;

if (std::fabs(coeff.real()) < 1e-12)
terms.insert({term.get_raw_data().first[0],
std::complex<double>{0., coeff.imag()}});
});

if (!terms.empty())
pool.emplace_back(terms);
pool.push_back(oneElectron);
}
}

Expand All @@ -88,22 +74,7 @@ spin_complement_gsd::generate(const heterogeneous_map &config) const {
adag(numQubits, s + 1) * a(numQubits, q + 1) -
adag(numQubits, q + 1) * a(numQubits, s + 1) *
adag(numQubits, p + 1) * a(numQubits, r + 1);

std::unordered_map<cudaq::spin_op::spin_op_term, std::complex<double>>
terms;
twoElectron.for_each_term([&](cudaq::spin_op &term) {
auto coeff = term.get_coefficient();
if (std::fabs(coeff.real()) < 1e-12 &&
std::fabs(coeff.imag()) < 1e-12)
return;

if (std::fabs(coeff.real()) < 1e-12)
terms.insert({term.get_raw_data().first[0],
std::complex<double>{0., coeff.imag()}});
});

if (!terms.empty())
pool.push_back(terms);
pool.push_back(twoElectron);
rs++;
}
}
Expand Down Expand Up @@ -133,20 +104,7 @@ spin_complement_gsd::generate(const heterogeneous_map &config) const {
adag(numQubits, r + 1) * a(numQubits, p + 1) -
adag(numQubits, p + 1) * a(numQubits, r + 1) *
adag(numQubits, q - 1) * a(numQubits, s - 1);
std::unordered_map<cudaq::spin_op::spin_op_term, std::complex<double>>
terms;
twoElectron.for_each_term([&](cudaq::spin_op &term) {
auto coeff = term.get_coefficient();
if (std::fabs(coeff.real()) < 1e-12 &&
std::fabs(coeff.imag()) < 1e-12)
return;

if (std::fabs(coeff.real()) < 1e-12)
terms.insert({term.get_raw_data().first[0],
std::complex<double>{0., coeff.imag()}});
});
if (!terms.empty())
pool.push_back(terms);
pool.push_back(twoElectron);
rs++;
}
}
Expand Down
4 changes: 2 additions & 2 deletions libs/solvers/lib/qaoa/qaoa.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -41,10 +41,10 @@ std::size_t get_num_qaoa_parameters(const cudaq::spin_op &problemHamiltonian,
std::size_t expectedNumParams = 0;
if (full_parameterization) {
auto nonIdTerms = 0;
referenceHamiltonian.for_each_term([&](cudaq::spin_op &term) {
for (const auto &term : referenceHamiltonian)
if (!term.is_identity())
nonIdTerms++;
});

expectedNumParams =
numLayers * (problemHamiltonian.num_terms() + nonIdTerms);
} else {
Expand Down
9 changes: 2 additions & 7 deletions libs/solvers/python/tests/test_jordan_wigner.py
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Original file line number Diff line number Diff line change
Expand Up @@ -14,16 +14,11 @@


def extract_words(hamiltonian: cudaq.SpinOperator):
result = []
hamiltonian.for_each_term(lambda term: result.append(term.to_string(False)))
return result
return [term.to_string(False) for term in hamiltonian]


def extract_coefficients(hamiltonian: cudaq.SpinOperator):
result = []
hamiltonian.for_each_term(
lambda term: result.append(term.get_coefficient()))
return result
return [term.get_coefficient() for term in hamiltonian]


def extract_spin_op_to_dict(op: cudaq.SpinOperator) -> dict:
Expand Down
29 changes: 18 additions & 11 deletions libs/solvers/unittests/test_bravyi_kitaev.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -15,6 +15,13 @@

#include "cudaq/solvers/operators/molecule/fermion_compilers/bravyi_kitaev.h"

auto get_coefficients(const cudaq::spin_op &op) {
std::vector<std::complex<double>> ret;
for (const auto &term : op)
ret.push_back(term.get_coefficient());
return ret;
}

// One- and Two-body integrals were copied from test_molecule.cpp.
// They were further validated using the script ./support/h2_pyscf_hf.py.
//
Expand Down Expand Up @@ -77,7 +84,7 @@ TEST(BravyiKitaev, testH2Hamiltonian) {
0.12020049071260128 * z(0) * z(2) * z(3) + 0.1683359862516207 * z(1) -
0.22004130022421792 * z(1) * z(2) * z(3) +
0.17407289249680227 * z(1) * z(3) - 0.22004130022421792 * z(2);
auto [terms, residuals] = (result - gold).get_raw_data();
auto residuals = get_coefficients(result - gold);
for (auto r : residuals)
EXPECT_NEAR(std::abs(r), 0.0, 1e-4);
}
Expand All @@ -91,7 +98,7 @@ TEST(BravyiKitaev, testSRLCase0) {
cudaq::spin_op gold = double_complex(-2.0, 0.0) * i(0) * i(1) * z(2) +
double_complex(2.0, 0.0) * i(0) * i(1) * i(2);

auto [terms, residuals] = (result - gold).get_raw_data();
auto residuals = get_coefficients(result - gold);
for (auto r : residuals)
EXPECT_NEAR(std::abs(r), 0.0, 1e-4);
}
Expand All @@ -109,7 +116,7 @@ TEST(BravyiKitaev, testSRLCase1) {
i(4) * z(5) * x(6) +
double_complex(0.0, -1.0) * i(0) * z(1) * y(2) * y(3) *
i(4) * z(5) * y(6);
auto [terms, residuals] = (result - gold).get_raw_data();
auto residuals = get_coefficients(result - gold);
for (auto r : residuals)
EXPECT_NEAR(std::abs(r), 0.0, 1e-4);
}
Expand All @@ -125,7 +132,7 @@ TEST(BravyiKitaev, testSRLCase2) {
double_complex(1.0, 0.0) * z(1) * x(2) * y(3) * y(5) +
double_complex(0.0, 1.0) * z(1) * y(2) * y(3) * y(5);

auto [terms, residuals] = (result - gold).get_raw_data();
auto residuals = get_coefficients(result - gold);
for (auto r : residuals)
EXPECT_NEAR(std::abs(r), 0.0, 1e-4);
}
Expand All @@ -140,7 +147,7 @@ TEST(BravyiKitaev, testSRLCase3) {
double_complex(1.0, 0.0) * i(0) * x(1) * x(2) +
double_complex(0.0, 1.0) * i(0) * x(1) * y(2);

auto [terms, residuals] = (result - gold).get_raw_data();
auto residuals = get_coefficients(result - gold);
for (auto r : residuals)
EXPECT_NEAR(std::abs(r), 0.0, 1e-4);
}
Expand All @@ -156,7 +163,7 @@ TEST(BravyiKitaev, testSRLCase4) {
double_complex(1.0, 0.0) * x(0) * x(1) * i(2) * y(3) * i(4) * y(5) +
double_complex(0.0, -1.0) * y(0) * x(1) * i(2) * y(3) * i(4) * y(5);

auto [terms, residuals] = (result - gold).get_raw_data();
auto residuals = get_coefficients(result - gold);
for (auto r : residuals)
EXPECT_NEAR(std::abs(r), 0.0, 1e-4);
}
Expand All @@ -171,7 +178,7 @@ TEST(BravyiKitaev, testSRLCase6) {
double_complex(0.0, 1.0) * z(17) * y(18) * z(19) +
double_complex(-1.0, 0.0) * z(17) * x(18) * z(19);

auto [terms, residuals] = (result - gold).get_raw_data();
auto residuals = get_coefficients(result - gold);
for (auto r : residuals)
EXPECT_NEAR(std::abs(r), 0.0, 1e-4);
}
Expand All @@ -188,7 +195,7 @@ TEST(BravyiKitaev, testSRLCase7) {
double_complex(1.0, 0.0) * z(3) * z(4) * x(5) * y(7) * y(11) +
double_complex(0.0, 1.0) * z(3) * y(5) * y(7) * y(11);

auto [terms, residuals] = (result - gold).get_raw_data();
auto residuals = get_coefficients(result - gold);
for (auto r : residuals)
EXPECT_NEAR(std::abs(r), 0.0, 1e-4);
}
Expand All @@ -205,7 +212,7 @@ TEST(BravyiKitaev, testSRLCase8) {
double_complex(1.0, 0.0) * x(7) * z(8) * x(9) * x(11) +
double_complex(0.0, 1.0) * x(7) * y(9) * x(11);

auto [terms, residuals] = (result - gold).get_raw_data();
auto residuals = get_coefficients(result - gold);
for (auto r : residuals)
EXPECT_NEAR(std::abs(r), 0.0, 1e-4);
}
Expand All @@ -221,7 +228,7 @@ TEST(BravyiKitaev, testSRLCase9) {
double_complex(-1.0, 0.0) * z(7) * z(8) * x(9) * x(11) * z(15) +
double_complex(0.0, 1.0) * z(7) * y(9) * x(11) * z(15);

auto [terms, residuals] = (result - gold).get_raw_data();
auto residuals = get_coefficients(result - gold);
for (auto r : residuals)
EXPECT_NEAR(std::abs(r), 0.0, 1e-4);
}
Expand All @@ -237,7 +244,7 @@ TEST(BravyiKitaev, testSRLCase10) {
double_complex(-1.0, 0.0) * z(1) * z(2) * x(3) * z(7) +
double_complex(0.0, 1.0) * y(3) * z(7);

auto [terms, residuals] = (result - gold).get_raw_data();
auto residuals = get_coefficients(result - gold);
for (auto r : residuals)
EXPECT_NEAR(std::abs(r), 0.0, 1e-4);
}