Merge pull request #123 from zpparks314/master

Updates to Python decorators and vqe

quantum/plugins/algorithms/CMakeLists.txt

-add_subdirectory(vqe)
\ No newline at end of file
+add_subdirectory(vqe)
+add_subdirectory(vqe-energy)
+file(GLOB PYDECORATORS ${CMAKE_CURRENT_SOURCE_DIR}/vqe/python/*.py ${CMAKE_CURRENT_SOURCE_DIR}/vqe-energy/python/*.py)
+install(FILES ${PYDECORATORS} DESTINATION ${CMAKE_INSTALL_PREFIX}/py-plugins)
\ No newline at end of file

quantum/plugins/algorithms/vqe-energy/CMakeLists.txt

+
+set(LIBRARY_NAME xacc-algorithm-vqe-energy)
+
+file(GLOB SRC *.cpp)
+
+usfunctiongetresourcesource(TARGET ${LIBRARY_NAME} OUT SRC)
+usfunctiongeneratebundleinit(TARGET ${LIBRARY_NAME} OUT SRC)
+
+add_library(${LIBRARY_NAME} SHARED ${SRC})
+
+target_include_directories(
+  ${LIBRARY_NAME}
+  PUBLIC .)
+
+target_link_libraries(${LIBRARY_NAME} PUBLIC xacc CppMicroServices)
+
+set(_bundle_name xacc_algorithm_vqe_energy)
+set_target_properties(${LIBRARY_NAME}
+                      PROPERTIES COMPILE_DEFINITIONS
+                                 US_BUNDLE_NAME=${_bundle_name}
+                                 US_BUNDLE_NAME
+                                 ${_bundle_name})
+
+usfunctionembedresources(TARGET
+                         ${LIBRARY_NAME}
+                         WORKING_DIRECTORY
+                         ${CMAKE_CURRENT_SOURCE_DIR}
+                         FILES
+                         manifest.json)
+
+if(APPLE)
+  set_target_properties(${LIBRARY_NAME}
+                        PROPERTIES INSTALL_RPATH "@loader_path/../lib")
+  set_target_properties(${LIBRARY_NAME}
+                        PROPERTIES LINK_FLAGS "-undefined dynamic_lookup")
+else()
+  set_target_properties(${LIBRARY_NAME}
+                        PROPERTIES INSTALL_RPATH "$ORIGIN/../lib")
+  set_target_properties(${LIBRARY_NAME} PROPERTIES LINK_FLAGS "-shared")
+endif()
+
+if(XACC_BUILD_TESTS)
+  add_subdirectory(tests)
+endif()
+
+install(TARGETS ${LIBRARY_NAME} DESTINATION ${CMAKE_INSTALL_PREFIX}/plugins)

quantum/plugins/algorithms/vqe-energy/VQEEnergyActivator.cpp

+#include "vqe-energy.hpp"
+
+#include "cppmicroservices/BundleActivator.h"
+#include "cppmicroservices/BundleContext.h"
+#include "cppmicroservices/ServiceProperties.h"
+
+#include <memory>
+#include <set>
+
+using namespace cppmicroservices;
+
+namespace {
+
+/**
+ */
+class US_ABI_LOCAL VQEEnergyActivator : public BundleActivator {
+
+public:
+  VQEEnergyActivator() {}
+
+  /**
+   */
+  void Start(BundleContext context) {
+    auto c = std::make_shared<xacc::algorithm::VQEEnergy>();
+    context.RegisterService<xacc::Algorithm>(c);
+  }
+
+  /**
+   */
+  void Stop(BundleContext /*context*/) {}
+};
+
+} // namespace
+
+CPPMICROSERVICES_EXPORT_BUNDLE_ACTIVATOR(VQEEnergyActivator)

quantum/plugins/algorithms/vqe-energy/manifest.json

+{
+  "bundle.symbolic_name" : "xacc_algorithm_vqe_energy",
+  "bundle.activator" : true,
+  "bundle.name" : "XACC VQE-Energy Algorithm",
+  "bundle.description" : ""
+}

quantum/plugins/algorithms/vqe-energy/python/tests/py_energy_test.py

+import unittest as test
+import sys
+import xacc
+from xacc import PauliOperator
+
+class TestPyVQE(test.TestCase):
+
+    def setUp(self):
+        self.qpu = xacc.getAccelerator('tnqvm')
+        self.buffer = self.qpu.createBuffer('q', 2)
+        self.ham = PauliOperator(5.906709445) + \
+                    PauliOperator({0: 'X', 1: 'X'}, -2.1433) + \
+                    PauliOperator({0: 'Y', 1: 'Y'}, -2.1433) + \
+                    PauliOperator({0: 'Z'}, .21829) + \
+                    PauliOperator({1: 'Z'}, -6.125)
+
+    def test_energy(self):
+
+        @xacc.qpu(algo='energy', accelerator=self.qpu, observable=self.ham)
+        def ansatz(buffer, t0):
+            X(0)
+            Ry(t0, 1)
+            CNOT(1, 0)
+
+        ansatz(self.buffer, 0.5)
+
+        self.assertAlmostEqual(self.buffer.getInformation("opt-val"), -1.71515, places=4)
+
+
+if __name__ == '__main__':
+    xacc.Initialize()
+    test.main()
+    xacc.Finalize()
\ No newline at end of file

quantum/plugins/algorithms/vqe-energy/python/wrappedVQEEnergy.py

+from pelix.ipopo.decorators import (ComponentFactory, Property, Requires,
+                                    BindField, UnbindField, Provides, Instantiate)
+import xacc
+import inspect
+import random
+import numpy as np
+
+@ComponentFactory("wrapped_energy_factory")
+@Provides("decorator_algorithm_service")
+@Property("_algorithm", "algorithm", "energy")
+@Property("_name", "name", "energy")
+@Instantiate("wrapped_energy_instance")
+class WrappedEnergyF(xacc.DecoratorFunction):
+
+    def __call__(self, *args, **kwargs):
+        super().__call__(*args, **kwargs)
+
+        execParams = {'accelerator': self.kwargs['accelerator'], 'ansatz': self.compiledKernel, 'observable': self.kwargs["observable"]}
+
+        if not isinstance(args[0], xacc.AcceleratorBuffer):
+            raise RuntimeError(
+                'First argument of an xacc kernel must be the Accelerator Buffer to operate on.')
+
+        buffer = args[0]
+        ars = args[1:]
+        if len(ars) > 0:
+            execParams['initial-parameters'] = list(ars)
+        else:
+            execParams['initial-parameters'] = random.randrange(-np.pi, np.pi)
+
+        vqe_energy = xacc.getAlgorithm('vqe-energy', execParams)
+        vqe_energy.execute(buffer)
+        return
\ No newline at end of file

quantum/plugins/algorithms/vqe-energy/tests/CMakeLists.txt

+include_directories(${CMAKE_BINARY_DIR})
+add_xacc_test(VQEEnergy)
+target_link_libraries(VQEEnergyTester xacc CppMicroServices xacc-pauli)
\ No newline at end of file

quantum/plugins/algorithms/vqe-energy/tests/VQEEnergyTester.cpp

+#include <gtest/gtest.h>
+
+#include "XACC.hpp"
+#include "xacc_service.hpp"
+#include "Optimizer.hpp"
+#include "Observable.hpp"
+#include "Algorithm.hpp"
+#include "PauliOperator.hpp"
+
+using namespace xacc;
+const std::string ansatz = R"a(def f(buffer, theta):
+    X(0)
+    Ry(theta, 1)
+    CNOT(1,0)
+    )a";
+
+TEST(VQEEnergyTester, checkSimple) {
+  if (xacc::hasAccelerator("tnqvm") && xacc::hasCompiler("xacc-py")) {
+    auto acc = xacc::getAccelerator("tnqvm");
+    auto buffer = acc->createBuffer("q", 2);
+
+    auto compiler = xacc::getService<xacc::Compiler>("xacc-py");
+
+    auto ir = compiler->compile(ansatz, nullptr);
+    auto ruccsd = ir->getKernel("f");
+
+    auto optimizer = xacc::getOptimizer("nlopt");
+    xacc::quantum::PauliOperator observable;
+    observable.fromString("(-6.125,0) Z1 + (0.21829,0) Z0 + (-2.1433,0) Y0 Y1 + (5.90671,0) + (-2.1433,0) X0 X1");
+
+    auto vqe_energy = xacc::getService<Algorithm>("vqe-energy");
+    EXPECT_TRUE(vqe_energy->initialize({{"ansatz",ruccsd}, {"accelerator",acc}, {"observable", &observable},{"initial-parameters", {0.5}}}));//
+    vqe_energy->execute(buffer);
+    EXPECT_NEAR(-1.74916, mpark::get<double>(buffer->getInformation("opt-val")), 1e-4);
+  }
+}
+
+int main(int argc, char **argv) {
+  xacc::Initialize(argc, argv);
+  ::testing::InitGoogleTest(&argc, argv);
+  auto ret = RUN_ALL_TESTS();
+  xacc::Finalize();
+  return ret;
+}

quantum/plugins/algorithms/vqe-energy/vqe-energy.cpp

+#include "vqe-energy.hpp"
+
+#include "Observable.hpp"
+#include "XACC.hpp"
+
+#include "InstructionParameter.hpp"
+#include <memory>
+using namespace xacc;
+
+namespace xacc {
+namespace algorithm {
+bool VQEEnergy::initialize(const AlgorithmParameters &parameters) {
+  if (!parameters.count("observable")) {
+    return false;
+  } else if (!parameters.count("ansatz")) {
+    return false;
+  } else if (!parameters.count("accelerator")) {
+    return false;
+  }
+  try {
+    observable =
+        parameters.at("observable").as_no_error<std::shared_ptr<Observable>>();
+  } catch (std::exception &e) {
+    observable = std::shared_ptr<Observable>(
+        parameters.at("observable").as<Observable *>(), [](Observable *) {});
+  }
+  kernel = parameters.at("ansatz").as<std::shared_ptr<Function>>();
+  accelerator = parameters.at("accelerator").as<std::shared_ptr<Accelerator>>();
+
+  if (parameters.count("initial-parameters")) {
+    initial_params =
+        parameters.at("initial-parameters").as<std::vector<double>>();
+  }
+  return true;
+}
+
+const std::vector<std::string> VQEEnergy::requiredParameters() const {
+  return {"observable", "accelerator", "ansatz"};
+}
+
+void VQEEnergy::execute(const std::shared_ptr<AcceleratorBuffer> buffer) const {
+
+  // void VQE::execute(xacc::Observable &observable, Optimizer &optimizer) {
+  auto kernels = observable->observe(kernel);
+  std::vector<double> coefficients;
+  std::vector<std::string> kernelNames;
+  std::vector<std::shared_ptr<Function>> fsToExec;
+
+  double identityCoeff = 0.0;
+  for (auto &f : kernels) {
+    kernelNames.push_back(f->name());
+    InstructionParameter p = f->getOption("coefficient");
+    std::complex<double> coeff = p.as<std::complex<double>>();
+
+    if (f->nInstructions() > kernel->nInstructions()) {
+      fsToExec.push_back(f->operator()(initial_params));
+      coefficients.push_back(std::real(coeff));
+    } else {
+      identityCoeff += std::real(coeff);
+    }
+  }
+
+  auto buffers = accelerator->execute(buffer, fsToExec);
+
+  double energy = identityCoeff;
+  for (int i = 0; i < buffers.size(); i++) {
+    auto expval = buffers[i]->getExpectationValueZ();
+    energy += expval * coefficients[i];
+    buffers[i]->addExtraInfo("coefficient", coefficients[i]);
+    buffers[i]->addExtraInfo("kernel", fsToExec[i]->name());
+    buffers[i]->addExtraInfo("exp-val-z", expval);
+    buffers[i]->addExtraInfo("parameters", initial_params);
+    buffer->appendChild(fsToExec[i]->name(), buffers[i]);
+  }
+  std::stringstream ss;
+  ss << "E(" << initial_params[0];
+  for (int i = 1; i < initial_params.size(); i++)
+    ss << "," << initial_params
+    [i];
+  ss << ") = " << energy;
+  xacc::info(ss.str());
+
+  buffer->addExtraInfo("opt-val", ExtraInfo(energy));
+  buffer->addExtraInfo("opt-params", ExtraInfo(initial_params));
+  return;
+}
+} // namespace algorithm
+} // namespace xacc
\ No newline at end of file

quantum/plugins/algorithms/vqe-energy/vqe-energy.hpp

+#ifndef XACC_ALGORITHM_VQE_ENERGY_HPP_
+#define XACC_ALGORITHM_VQE_ENERGY_HPP_
+
+#include "Algorithm.hpp"
+
+namespace xacc {
+namespace algorithm {
+class VQEEnergy : public Algorithm {
+protected:
+  std::shared_ptr<Observable> observable;
+  std::shared_ptr<Function> kernel;
+  std::shared_ptr<Accelerator> accelerator;
+  std::vector<double> initial_params;
+
+  AlgorithmParameters parameters;
+
+public:
+  bool initialize(const AlgorithmParameters &parameters) override;
+  const std::vector<std::string> requiredParameters() const override;
+
+  void execute(const std::shared_ptr<AcceleratorBuffer> buffer) const override;
+
+  const std::string name() const override { return "vqe-energy"; }
+  const std::string description() const override { return ""; }
+};
+} // namespace algorithm
+} // namespace xacc
+#endif
\ No newline at end of file

quantum/plugins/algorithms/vqe/python/tests/py_vqe_tests.py

+import unittest as test
+import sys
+import xacc
+from xacc import PauliOperator
+
+class TestPyVQE(test.TestCase):
+
+    def setUp(self):
+        self.qpu = xacc.getAccelerator('tnqvm')
+        self.buffer = self.qpu.createBuffer('q', 2)
+        self.ham = PauliOperator(5.906709445) + \
+                    PauliOperator({0: 'X', 1: 'X'}, -2.1433) + \
+                    PauliOperator({0: 'Y', 1: 'Y'}, -2.1433) + \
+                    PauliOperator({0: 'Z'}, .21829) + \
+                    PauliOperator({1: 'Z'}, -6.125)
+
+    def test_nlopt_default(self):
+
+        @xacc.qpu(algo='vqe', accelerator=self.qpu, observable=self.ham, optimizer='nlopt')
+        def ansatz(buffer, t0):
+            X(0)
+            Ry(t0, 1)
+            CNOT(1, 0)
+
+        ansatz(self.buffer, 0.5)
+
+        self.assertAlmostEqual(self.buffer.getInformation("opt-val"), -1.74916, places=4)
+
+    def test_nlopt_options(self):
+
+        @xacc.qpu(algo='vqe', accelerator=self.qpu, observable=self.ham, optimizer='nlopt', options={"nlopt-ftol": 1e-5, "nlopt-maxeval":10, "nlopt-optimizer": "cobyla"})
+        def ansatz(buffer, t0):
+            X(0)
+            Ry(t0, 1)
+            CNOT(1, 0)
+
+        ansatz(self.buffer, 0.5)
+
+        self.assertAlmostEqual(self.buffer.getInformation("opt-val"), -1.74916, places=2)
+
+    def test_scipy(self):
+        # causes a numpy runtime warning. I think it has to do with whatever is the default scipy optimizer method
+        @xacc.qpu(algo='vqe', accelerator=self.qpu, observable=self.ham, optimizer='scipy-opt')
+        def ansatz(buffer, t0):
+            X(0)
+            Ry(t0, 1)
+            CNOT(1, 0)
+
+        ansatz(self.buffer, 0.5)
+
+        self.assertAlmostEqual(self.buffer.getInformation("opt-val"), -1.74916, places=4)
+
+
+
+    def test_scipy_options(self):
+
+        @xacc.qpu(algo='vqe', accelerator=self.qpu, observable=self.ham, optimizer='scipy-opt', options={"method": "COBYLA", 'options':{'maxiter':10}})
+        def ansatz(buffer, t0):
+            X(0)
+            Ry(t0, 1)
+            CNOT(1, 0)
+
+        ansatz(self.buffer, 0.5)
+
+        self.assertAlmostEqual(self.buffer.getInformation("opt-val"), -1.74916, places=2)
+
+    def test_bobyqa(self):
+
+        @xacc.qpu(algo='vqe', accelerator=self.qpu, observable=self.ham, optimizer='bobyqa-opt')
+        def ansatz(buffer, t0):
+            X(0)
+            Ry(t0, 1)
+            CNOT(1, 0)
+
+        ansatz(self.buffer, 0.5)
+
+        self.assertAlmostEqual(self.buffer.getInformation("opt-val"), -1.74916, places=4)
+
+    def test_bobyqa_options(self):
+
+        @xacc.qpu(algo='vqe', accelerator=self.qpu, observable=self.ham, optimizer='bobyqa-opt', options={'maxfun': 10})
+        def ansatz(buffer, t0):
+            X(0)
+            Ry(t0, 1)
+            CNOT(1, 0)
+
+        ansatz(self.buffer, 0.5)
+
+        self.assertAlmostEqual(self.buffer.getInformation("opt-val"), -1.74916, places=4)
+
+if __name__ == '__main__':
+    xacc.Initialize()
+    test.main()
+    xacc.Finalize()
\ No newline at end of file

quantum/plugins/algorithms/vqe/python/vqe_optimizers.py

+from abc import abstractmethod, ABC
+from pelix.ipopo.decorators import (Provides, ComponentFactory, Property, Instantiate)
+import xacc
+import numpy as np
+
+@Provides("vqe_optimization")
+class VQEOpt(ABC):
+
+    @abstractmethod
+    def optimize(self, buffer, optimizer_args, execParams):
+        self.opt_args = optimizer_args
+        self.execParams = execParams
+        self.energies = []
+        self.angles = []
+        self.vqe_energy = xacc.getAlgorithm('vqe-energy')
+        self.buffer = buffer
+
+        if 'initial-parameters' in self.execParams:
+            self.init_args = self.execParams['initial-parameters']
+        else:
+            import random
+            pi = 3.141592653
+            self.init_args = np.array([random.uniform(-pi, pi) for _ in range(self.execParams['ansatz'].nParameters())])
+    # Define the objective function here
+    # This is a default objective function using XACC VQE
+    # that converges on the computed energy, computing the energy
+    # every iteration
+    @abstractmethod
+    def energy(self, params):
+        self.execParams['initial-parameters'] = params.tolist()
+        self.vqe_energy.initialize(self.execParams)
+        self.vqe_energy.execute(self.buffer)
+
+        e = self.buffer.getInformation("vqe-energy")
+
+        if 'rdm-purification' in self.execParams['accelerator'].name():
+            t = self.buffer.getAllUnique('parameters')
+            ind = len(t) - 1
+            children = self.buffer.getChildren('parameters', t[ind])
+            e = children[1].getInformation('purified-energy')
+
+        self.angles.append(','.join(map(str, params.tolist())))
+        self.energies.append(e)
+        fileName = ".persisted_buffer_%s" % (self.buffer.getInformation('accelerator')) if self.buffer.hasExtraInfoKey('accelerator') \
+                                                                else ".persisted_buffer_%s" % (self.execParams['accelerator'].name())
+        file = open(fileName+'.ab', 'w')
+        file.write(str(self.buffer))
+        file.close()
+        return e
+        # xacc.info("The energy() method is meant to be implemented by VQEOpt subclasses!")
+        # exit(1)
+        # pass
+
+@ComponentFactory("scipy_opt_factory")
+@Property("_vqe_optimizer", "vqe_optimizer", "scipy-opt")
+@Property("_name", "name", "scipy-opt")
+@Instantiate("scipy_opt_instance")
+class ScipyOpt(VQEOpt):
+
+    def optimize(self, buffer, optimizer_args, execParams):
+        super().optimize(buffer, optimizer_args, execParams)
+
+        from scipy.optimize import minimize
+
+        opt_result = minimize(self.energy, self.init_args, **self.opt_args)
+
+        # Optimizer adds the results to the buffer automatically
+        buffer.addExtraInfo('vqe-energies', self.energies)
+        buffer.addExtraInfo('vqe-params', self.angles)
+        optimal_angles = [float(x) for x in self.angles[self.energies.index(min(self.energies))].split(",")]
+        buffer.addExtraInfo('opt-params', optimal_angles)
+        buffer.addExtraInfo('opt-val', min(self.energies))
+
+    # Noticing something very weird if the objective energy function
+    # resides in the super class; looks like it needs to be
+    # redefined everytime (in an optimizer)
+    def energy(self, params):
+        # super().energy(params)
+        self.execParams['initial-parameters'] = params.tolist()
+        self.vqe_energy.initialize(self.execParams)
+        self.vqe_energy.execute(self.buffer)
+
+        e = self.buffer.getInformation("opt-val")
+
+        if 'rdm-purification' in self.execParams['accelerator'].name():
+            t = self.buffer.getAllUnique('parameters')
+            ind = len(t) - 1
+            children = self.buffer.getChildren('parameters', t[ind])
+            e = children[1].getInformation('purified-energy')
+
+        self.angles.append(','.join(map(str, params.tolist())))
+        self.energies.append(e)
+        fileName = ".persisted_buffer_%s" % (self.buffer.getInformation('accelerator')) if self.buffer.hasExtraInfoKey('accelerator') \
+                                                                else ".persisted_buffer_%s" % (self.execParams['accelerator'].name())
+        file = open(fileName+'.ab', 'w')
+        file.write(str(self.buffer))
+        file.close()
+        return e
+
+@ComponentFactory("bobyqa_opt_factory")
+@Property("_vqe_optimizer", "vqe_optimizer", "bobyqa-opt")
+@Property("_name", "name", "bobyqa-opt")
+@Instantiate("bobyqa_opt_instance")
+class BOBYQAOpt(VQEOpt):
+
+    def optimize(self, buffer, optimizer_args, execParams):
+        super().optimize(buffer, optimizer_args, execParams)
+
+        import pybobyqa
+
+        if 'options' in self.opt_args:
+            base_args = self.opt_args['options']
+            opt_result = pybobyqa.solve(self.energy, self.init_args, **base_args)
+        else:
+            opt_result = pybobyqa.solve(self.energy, self.init_args, **self.opt_args)
+
+        # Optimizer adds the results to the buffer automatically
+        buffer.addExtraInfo('vqe-energies', self.energies)
+        buffer.addExtraInfo('vqe-parameters', self.angles)
+        optimal_angles = [float(x) for x in self.angles[self.energies.index(min(self.energies))].split(",")]
+        buffer.addExtraInfo('opt-params', optimal_angles)
+        buffer.addExtraInfo('opt-val', min(self.energies))
+
+    # Noticing something very weird if the objective energy function
+    # resides in the super class; looks like it needs to be
+    # redefined everytime (in an optimizer)
+    def energy(self, params):
+        self.execParams['initial-parameters'] = params.tolist()
+        self.vqe_energy.initialize(self.execParams)
+        self.vqe_energy.execute(self.buffer)
+
+        e = self.buffer.getInformation("opt-val")
+
+        if 'rdm-purification' in self.execParams['accelerator'].name():
+            t = self.buffer.getAllUnique('parameters')
+            ind = len(t) - 1
+            children = self.buffer.getChildren('parameters', t[ind])
+            e = children[1].getInformation('purified-energy')
+
+        self.angles.append(','.join(map(str, params.tolist())))
+        self.energies.append(e)
+        fileName = ".persisted_buffer_%s" % (self.buffer.getInformation('accelerator')) if self.buffer.hasExtraInfoKey('accelerator') \
+                                                                else ".persisted_buffer_%s" % (self.execParams['accelerator'].name())
+        file = open(fileName+