Unsupervised learning

Created by: GTorlai

This is to fix issue #5 (closed)

See tutorial in Tutorial/QuantumStateReconstruction/ for reconstructing the wavefunction of the quantum Ising model from raw measurement data.

NetKet/Unsupervised/pyunsupervised.hpp

+// Copyright 2018 The Simons Foundation, Inc. - All Rights Reserved.
+//
+// Licensed under the Apache License, Version 2.0 (the "License");
+// you may not use this file except in compliance with the License.
+// You may obtain a copy of the License at
+//
+//    http://www.apache.org/licenses/LICENSE-2.0
+//
+// Unless required by applicable law or agreed to in writing, software
+// distributed under the License is distributed on an "AS IS" BASIS,
+// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+// See the License for the specific language governing permissions and
+// limitations under the License.
+
+#ifndef NETKET_PYQUANTUM_STATE_RECONSTRUCTION_HPP
+#define NETKET_PYQUANTUM_STATE_RECONSTRUCTION_HPP
+
+#include <mpi.h>
+#include <pybind11/complex.h>
+#include <pybind11/eigen.h>
+#include <pybind11/pybind11.h>
+#include <pybind11/stl.h>
+#include <pybind11/stl_bind.h>
+#include <complex>
+#include <vector>
+#include "quantum_state_reconstruction.hpp"
+
+namespace py = pybind11;
+
+namespace netket {
+
+void AddUnsupervisedModule(py::module &m) {
+  auto subm = m.def_submodule("unsupervised");
+  using MatType = LocalOperator::MatType;
+  py::class_<QuantumStateReconstruction>(subm, "Qsr")
+      .def(py::init<SamplerType &, AbstractOptimizer &, int, int, int,
+                    std::vector<MatType>, std::vector<std::vector<int> >,
+                    std::vector<Eigen::VectorXd>, std::vector<int>, std::string,
+                    int, int>(),
+           py::keep_alive<1, 2>(), py::keep_alive<1, 3>(), py::arg("sampler"),
+           py::arg("optimizer"), py::arg("batch_size"), py::arg("n_samples"),
+           py::arg("niter_opt"), py::arg("rotations"), py::arg("sites"),
+           py::arg("samples"), py::arg("bases"), py::arg("output_file"),
+           py::arg("discarded_samples") = -1,
+           py::arg("discarded_samples_on_init") = 0)
+      .def("run", &QuantumStateReconstruction::Run)
+      .def("add_observable", &QuantumStateReconstruction::AddObservable);
+}
+
+}  // namespace netket
+
+#endif