Commit 60d6dd02 authored by Mccaskey, Alex's avatar Mccaskey, Alex
Browse files

Setup pyxasm to support for i,var in enumerate(..), added createOperator to map OpenFermion to qcor 



Signed-off-by: Mccaskey, Alex's avatarAlex McCaskey <mccaskeyaj@ornl.gov>
parent 4410d6e2

handlers/token_collector/pyxasm/pyxasm_token_collector.cpp

+8 −9
Original line number Diff line number Diff line
@@ -69,15 +69,14 @@ void PyXasmTokenCollector::collect(clang::Preprocessor &PP, 
    line += PP.getSpelling(Toks[i]);

    if (Toks[i].is(clang::tok::TokenKind::kw_for)) {

      // Right now we only assume 'for var in range'

      line += " ";

      // add var space

      i += 1;

      line += PP.getSpelling(Toks[i]);

      line += " ";

      // add 'in space'

      i += 1;

      line += PP.getSpelling(Toks[i]);

      line += " ";

      // or 'for i , var in enumerate( list_var ):

      // Slurp all elements of the for loop stmt, separate with spaces

      std::string for_stmt = " "; i++;

      while(Toks[i].isNot(clang::tok::TokenKind::colon)) {

        for_stmt += PP.getSpelling(Toks[i]) + " ";

        i++;

      }

      line += for_stmt;

    }



    // If statement:

handlers/token_collector/pyxasm/pyxasm_visitor.hpp

+16 −6
Original line number Diff line number Diff line
@@ -3,9 +3,9 @@ 


#include "IRProvider.hpp"

#include "pyxasmBaseVisitor.h"

#include "qcor_utils.hpp"

#include "qrt.hpp"

#include "xacc.hpp"

#include "qcor_utils.hpp"



using namespace pyxasm;
@@ -216,14 +216,25 @@ class pyxasm_visitor : public pyxasmBaseVisitor { 
  }



  antlrcpp::Any visitFor_stmt(pyxasmParser::For_stmtContext *context) override {

    auto counter_expr = context->exprlist()->expr()[0];

    auto iter_container = context->testlist()->test()[0]->getText();

    // Rewrite:

    // Python: "for <var> in <expr>:"

    // C++: for (auto& var: <expr>) {}

    // C++: for (auto var: <expr>) {}

    // Note: we add range(int) as a C++ function to support this common pattern.

    // or

    // Python: "for <idx>,<var> in enumerate(<listvar>):"

    // C++: for (auto [idx, var] : enumerate(listvar))

    auto iter_container = context->testlist()->test()[0]->getText();

    std::string counter_expr = context->exprlist()->expr()[0]->getText();

    if (context->exprlist()->expr().size() > 1) {

      counter_expr = "[" + counter_expr;

      for (int i = 1; i < context->exprlist()->expr().size(); i++) {

        counter_expr += ", " + context->exprlist()->expr()[i]->getText();

      }

      counter_expr += "]";

    }



    std::stringstream ss;

    ss << "for (auto &" << counter_expr->getText() << " : " << iter_container

    ss << "for (auto " << counter_expr << " : " << iter_container

       << ") {\n";

    result.first = ss.str();

    in_for_loop = true;
@@ -232,7 +243,6 @@ class pyxasm_visitor : public pyxasmBaseVisitor { 


  antlrcpp::Any visitExpr_stmt(pyxasmParser::Expr_stmtContext *ctx) override {

    if (ctx->ASSIGN().size() == 1 && ctx->testlist_star_expr().size() == 2) {



      // Handle simple assignment: a = expr

      std::stringstream ss;

      const std::string lhs = ctx->testlist_star_expr(0)->getText();

python/examples/deuteron_3qbit_exp_fermion.py

+3 −4
Original line number Diff line number Diff line
@@ -7,7 +7,7 @@ from qcor import * 
@qjit

def ansatz(q: qreg, x: List[float], exp_args: List[FermionOperator]):

    X(q[0])

    for i in range(len(exp_args)):

    for i, exp_arg in enumerate(exp_args):

        exp_i_theta(q, x[i], exp_args[i])



exp_args = [adag(0) * a(1) - adag(1)*a(0), adag(0)*a(2) - adag(2)*a(0)]
@@ -28,11 +28,10 @@ H = createOperator( 


# Create the ObjectiveFunction, specify central finite diff gradient

obj = createObjectiveFunction(

    ansatz, H, 2)

    #, {'gradient-strategy': 'central', 'step': 1e-1})

    ansatz, H, 2, {'gradient-strategy': 'central', 'step': 1e-2})



# create the lbfgs optimizer

optimizer = createOptimizer('nlopt')#, {'algorithm': 'l-bfgs', 'ftol': 1e-3})

optimizer = createOptimizer('nlopt', {'algorithm': 'l-bfgs', 'ftol': 1e-3})



# Run VQE...

results = optimizer.optimize(obj)

python/py-qcor.cpp

+18 −6
Original line number Diff line number Diff line
@@ -56,7 +56,8 @@ using AllowedKernelArgTypes = 
    xacc::Variant<bool, int, double, std::string, xacc::internal_compiler::qreg,

                  std::vector<double>, std::vector<int>, qcor::PauliOperator,

                  qcor::FermionOperator, qcor::PairList<int>,

                  std::vector<qcor::PauliOperator>, std::vector<qcor::FermionOperator>>;

                  std::vector<qcor::PauliOperator>,

                  std::vector<qcor::FermionOperator>>;



// We will take as input a mapping of arg variable names to the argument itself.

using KernelArgDict = std::map<std::string, AllowedKernelArgTypes>;
@@ -96,7 +97,8 @@ xacc::HeterogeneousMap heterogeneousMapConvert( 
  return result;

}



std::shared_ptr<qcor::Observable> convertToPauliOperator(py::object op) {

std::shared_ptr<qcor::Observable> convertToQCOROperator(

    py::object op, bool keep_fermion = false) {

  if (py::hasattr(op, "terms")) {

    // this is from openfermion

    if (py::hasattr(op, "is_two_body_number_conserving")) {
@@ -134,9 +136,16 @@ std::shared_ptr<qcor::Observable> convertToPauliOperator(py::object op) { 
        }

      }

      auto obs_tmp = qcor::createOperator("fermion", ss.str());

      if (keep_fermion) {

        return obs_tmp;

      } else {

        return qcor::operatorTransform("jw", obs_tmp);

      }



    } else {

      if (keep_fermion) {

        xacc::error("Error - you asked for a qcor::FermionOperator, but this is an OpenFermion QubitOperator.");

      }

      // this is a qubit  operator

      auto terms = op.attr("terms");

      // terms is a list of tuples
@@ -528,7 +537,7 @@ PYBIND11_MODULE(_pyqcor, m) { 
  m.def(

      "createObjectiveFunction",

      [](py::object kernel, py::object &py_obs, const int n_params) {

        auto obs = convertToPauliOperator(py_obs);

        auto obs = convertToQCOROperator(py_obs);

        auto q = ::qalloc(obs->nBits());

        std::shared_ptr<qcor::ObjectiveFunction> obj =

            std::make_shared<qcor::PyObjectiveFunction>(kernel, obs, n_params,
@@ -553,7 +562,7 @@ PYBIND11_MODULE(_pyqcor, m) { 
      [](py::object kernel, py::object &py_obs, const int n_params,

         PyHeterogeneousMap &options) {

        auto nativeHetMap = heterogeneousMapConvert(options);

        auto obs = convertToPauliOperator(py_obs);

        auto obs = convertToQCOROperator(py_obs);

        auto q = ::qalloc(obs->nBits());

        std::shared_ptr<qcor::ObjectiveFunction> obj =

            std::make_shared<qcor::PyObjectiveFunction>(kernel, obs, n_params,
@@ -578,6 +587,9 @@ PYBIND11_MODULE(_pyqcor, m) { 
        return qcor::createOperator(type, nativeHetMap);

      },

      "");

  m.def("createOperator", [](const std::string &type, py::object pyobject) {

    return convertToQCOROperator(pyobject, type == "fermion");

  });

  m.def(

      "createObservable",

      [](const std::string &repr) { return qcor::createOperator(repr); }, "");
@@ -612,7 +624,7 @@ PYBIND11_MODULE(_pyqcor, m) { 
  m.def(

      "internal_observe",

      [](std::shared_ptr<CompositeInstruction> kernel, py::object obs) {

        auto observable = convertToPauliOperator(obs);

        auto observable = convertToQCOROperator(obs);

        auto q = ::qalloc(observable->nBits());

        return qcor::observe(kernel, observable, q);

      },

python/tests/test_kernel_jit.py

+13 −1
Original line number Diff line number Diff line
@@ -252,6 +252,18 @@ class TestKernelJIT(unittest.TestCase): 
        comp = testFor.extract_composite(q)

        self.assertEqual(comp.nInstructions(), 5)   



    def test_for_loop_enumerate(self):

        @qjit

        def ansatz(q: qreg, x: List[float], exp_args: List[FermionOperator]):

            X(q[0])

            for i, exp_arg in enumerate(exp_args):

                exp_i_theta(q, x[i], exp_args[i])



        exp_args = [adag(0) * a(1) - adag(1)*a(0), adag(0)*a(2) - adag(2)*a(0)]

        H = createOperator('5.907 - 2.1433 X0X1 - 2.1433 Y0Y1 + .21829 Z0 - 6.125 Z1 + 9.625 - 9.625 Z2 - 3.91 X1 X2 - 3.91 Y1 Y2')

        energy = ansatz.observe(H, qalloc(3), [0.7118083109334505, 0.27387413138588135], exp_args)

        self.assertAlmostEqual(energy, -2.044, places=1)



    def test_multiple_kernels(self):

        @qjit

        def apply_H(q : qreg):