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Fix a bug in the generator of DoubleExcitationPlus #298

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merged 5 commits into from
Jun 1, 2022
Merged

Fix a bug in the generator of DoubleExcitationPlus #298

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7c8c5fc
Fix applyGeneratorDoubleExcitationPlus
maliasadi Jun 1, 2022
94b3fb4
Auto update version
chaeyeunpark Jun 1, 2022
4d0e63d
Improve generator tests
chaeyeunpark Jun 1, 2022
6c59a1e
Format
chaeyeunpark Jun 1, 2022
b48d04a
Update workflow
chaeyeunpark Jun 1, 2022
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2 changes: 1 addition & 1 deletion .github/workflows/wheel_win_x86_64.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -19,7 +19,7 @@ jobs:
matrix:
os: [windows-latest]
py_version: ["3.7", "3.8", "3.9", "3.10"]
name: ${{ matrix.os }}
name: ${{ matrix.os }} (Python ${{ matrix.py_version}})
runs-on: ${{ matrix.os }}

steps:
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2 changes: 1 addition & 1 deletion pennylane_lightning/_version.py
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Expand Up @@ -16,4 +16,4 @@
Version number (major.minor.patch[-label])
"""

__version__ = "0.24.0-dev11"
__version__ = "0.24.0-dev12"
2 changes: 1 addition & 1 deletion pennylane_lightning/src/gates/Constant.hpp
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Expand Up @@ -179,10 +179,10 @@ namespace Pennylane::Gates::Constant {
std::pair<GateOperation, size_t>{GateOperation::SingleExcitationMinus, 2},
std::pair<GateOperation, size_t>{GateOperation::SingleExcitationPlus, 2},
std::pair<GateOperation, size_t>{GateOperation::Toffoli, 3},
std::pair<GateOperation, size_t>{GateOperation::CSWAP, 3},
std::pair<GateOperation, size_t>{GateOperation::DoubleExcitation, 4},
std::pair<GateOperation, size_t>{GateOperation::DoubleExcitationMinus, 4},
std::pair<GateOperation, size_t>{GateOperation::DoubleExcitationPlus, 4},
std::pair<GateOperation, size_t>{GateOperation::CSWAP, 3},
};

/**
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2 changes: 1 addition & 1 deletion pennylane_lightning/src/gates/cpu_kernels/QChemGateImplementations.hpp
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Expand Up @@ -411,7 +411,7 @@ auto GateImplementationsPI::applyGeneratorDoubleExcitationPlus(
for (const size_t &externalIndex : externalIndices) {
std::complex<PrecisionT> *shiftedState = arr + externalIndex;
for (const size_t &i : indices) {
shiftedState[indices[i]] *= -1;
shiftedState[i] *= -1;
}

shiftedState[indices[i0]] *= -Util::IMAG<PrecisionT>();
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115 changes: 64 additions & 51 deletions pennylane_lightning/src/tests/Test_GateImplementations_Generator.cpp
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Expand Up @@ -61,6 +61,13 @@ template <size_t gntr_idx> constexpr auto generatorGatePairsIter() {
}
}

constexpr auto minNumQubitsFor(GeneratorOperation gntr_op) -> size_t {
if (Util::array_has_elt(Constant::multi_qubit_generators, gntr_op)) {
return 1;
}
return Util::lookup(Constant::generator_wires, gntr_op);
}

/**
* @brief Array of all generator operations with the corresponding gate
* operations.
Expand All @@ -70,87 +77,93 @@ constexpr static auto generator_gate_pairs =

template <class PrecisionT, class ParamT, class GateImplementation,
GeneratorOperation gntr_op, class RandomEngine>
void testGeneratorForGate(RandomEngine &re, size_t num_qubits, bool inverse) {
void testGeneratorForGate(RandomEngine &re, bool inverse) {
using ComplexPrecisionT = std::complex<PrecisionT>;
constexpr auto I = Util::IMAG<PrecisionT>();
constexpr static auto I = Util::IMAG<PrecisionT>();

constexpr auto eps = PrecisionT{1e-3}; // For finite difference
constexpr static auto eps = PrecisionT{1e-3}; // For finite difference

constexpr auto gate_op = Util::lookup(generator_gate_pairs, gntr_op);
constexpr auto gate_name = Util::lookup(Constant::gate_names, gate_op);
constexpr static auto gate_op = Util::lookup(generator_gate_pairs, gntr_op);
constexpr static auto gate_name =
Util::lookup(Constant::gate_names, gate_op);
constexpr static auto min_num_qubits = minNumQubitsFor(gntr_op);
constexpr static size_t max_num_qubits = 6;

DYNAMIC_SECTION("Test generator of " << gate_name << " for kernel "
<< GateImplementation::name) {
const auto wires = createWires(gate_op);
const auto ini_st = createRandomState<PrecisionT>(re, num_qubits);

auto gntr_func =
GeneratorOpToMemberFuncPtr<PrecisionT, GateImplementation,
gntr_op>::value;
auto gate_func =
GateOpToMemberFuncPtr<PrecisionT, ParamT, GateImplementation,
gate_op>::value;

/* Apply generator to gntr_st */
auto gntr_st = ini_st;
PrecisionT scale = gntr_func(gntr_st.data(), num_qubits, wires, false);
if (inverse) {
scale *= -1;
for (size_t num_qubits = min_num_qubits; num_qubits < max_num_qubits;
num_qubits++) {
const auto wires = createWires(gate_op);
const auto ini_st = createRandomState<PrecisionT>(re, num_qubits);

auto gntr_func =
GeneratorOpToMemberFuncPtr<PrecisionT, GateImplementation,
gntr_op>::value;
auto gate_func =
GateOpToMemberFuncPtr<PrecisionT, ParamT, GateImplementation,
gate_op>::value;

/* Apply generator to gntr_st */
auto gntr_st = ini_st;
PrecisionT scale =
gntr_func(gntr_st.data(), num_qubits, wires, false);
if (inverse) {
scale *= -1;
}
scaleVector(gntr_st, I * scale);

/* Compute the derivative of the unitary gate applied to ini_st
* using finite difference */

auto diff_st_1 = ini_st;
auto diff_st_2 = ini_st;

gate_func(diff_st_1.data(), num_qubits, wires, inverse, eps);
gate_func(diff_st_2.data(), num_qubits, wires, inverse, -eps);

std::vector<ComplexPrecisionT> gate_der_st(size_t{1U}
<< num_qubits);

std::transform(
diff_st_1.cbegin(), diff_st_1.cend(), diff_st_2.cbegin(),
gate_der_st.begin(),
[](ComplexPrecisionT a, ComplexPrecisionT b) { return a - b; });

scaleVector(gate_der_st, static_cast<PrecisionT>(0.5) / eps);

REQUIRE(gntr_st == approx(gate_der_st).margin(PrecisionT{1e-3}));
}
scaleVector(gntr_st, I * scale);

/* Compute the derivative of the unitary gate applied to ini_st using
* finite difference */

auto diff_st_1 = ini_st;
auto diff_st_2 = ini_st;

gate_func(diff_st_1.data(), num_qubits, wires, inverse, eps);
gate_func(diff_st_2.data(), num_qubits, wires, inverse, -eps);

std::vector<ComplexPrecisionT> gate_der_st(size_t{1U} << num_qubits);

std::transform(
diff_st_1.cbegin(), diff_st_1.cend(), diff_st_2.cbegin(),
gate_der_st.begin(),
[](ComplexPrecisionT a, ComplexPrecisionT b) { return a - b; });

scaleVector(gate_der_st, static_cast<PrecisionT>(0.5) / eps);

REQUIRE(gntr_st == approx(gate_der_st).margin(PrecisionT{1e-3}));
}
}
template <typename PrecisionT, typename ParamT, class GateImplementation,
size_t gntr_idx, class RandomEngine>
void testAllGeneratorForKernel(RandomEngine &re, size_t num_qubits) {
void testAllGeneratorForKernel(RandomEngine &re) {
if constexpr (gntr_idx <
GateImplementation::implemented_generators.size()) {
constexpr auto gntr_op =
GateImplementation::implemented_generators[gntr_idx];
testGeneratorForGate<PrecisionT, ParamT, GateImplementation, gntr_op>(
re, num_qubits, false);
re, false);
testGeneratorForGate<PrecisionT, ParamT, GateImplementation, gntr_op>(
re, num_qubits, true);
re, true);
testAllGeneratorForKernel<PrecisionT, ParamT, GateImplementation,
gntr_idx + 1>(re, num_qubits);
gntr_idx + 1>(re);
} else {
static_cast<void>(re);
static_cast<void>(num_qubits);
}
}

template <typename PrecisionT, typename ParamT, class TypeList,
class RandomEngine>
void testAllGeneratorsAndKernels(RandomEngine &re, size_t num_qubits) {
void testAllGeneratorsAndKernels(RandomEngine &re) {
if constexpr (!std::is_same_v<TypeList, void>) {
using GateImplementation = typename TypeList::Type;
testAllGeneratorForKernel<PrecisionT, ParamT, GateImplementation, 0>(
re, num_qubits);
re);
testAllGeneratorsAndKernels<PrecisionT, ParamT,
typename TypeList::Next>(re, num_qubits);
typename TypeList::Next>(re);
} else {
static_cast<void>(re);
static_cast<void>(num_qubits);
}
}

Expand All @@ -161,5 +174,5 @@ TEMPLATE_TEST_CASE("Test all generators of all kernels",

std::mt19937 re{1337};

testAllGeneratorsAndKernels<PrecisionT, ParamT, TestKernels>(re, 4);
testAllGeneratorsAndKernels<PrecisionT, ParamT, TestKernels>(re);
}