From cd7dea0f6f920012f130b975b5a8138cb459ea0d Mon Sep 17 00:00:00 2001
From: Filippo Vicentini <filippovicentini@gmail.com>
Date: Thu, 3 Dec 2020 17:00:07 +0100
Subject: [PATCH] Add Row-submachine of density matrix
---
.idea/netket_v21.iml | 2 +
CMakeLists.txt | 1 +
.../density_matrix_machine.hpp | 1 +
.../DensityMatrices/density_matrix_row.cc | 62 +++++++++++++++
.../DensityMatrices/density_matrix_row.hpp | 75 +++++++++++++++++++
.../DensityMatrices/py_density_matrix.cc | 57 +++++++++++++-
6 files changed, 197 insertions(+), 1 deletion(-)
create mode 100644 .idea/netket_v21.iml
create mode 100644 Sources/Machine/DensityMatrices/density_matrix_row.cc
create mode 100644 Sources/Machine/DensityMatrices/density_matrix_row.hpp
diff --git a/.idea/netket_v21.iml b/.idea/netket_v21.iml
new file mode 100644
index 000000000..f08604bb6
--- /dev/null
+++ b/.idea/netket_v21.iml
@@ -0,0 +1,2 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<module classpath="CMake" type="CPP_MODULE" version="4" />
\ No newline at end of file
diff --git a/CMakeLists.txt b/CMakeLists.txt
index e6eb8f4e4..ef18d3e74 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -304,6 +304,7 @@ set(NETKET_SOURCES
Sources/Utils/py_utils.cc
Sources/Utils/random_utils.cc
Sources/Machine/DensityMatrices/diagonal_density_matrix.cc
+ Sources/Machine/DensityMatrices/density_matrix_row.cc
Sources/Machine/DensityMatrices/ndm_spin_phase.cc
Sources/Machine/DensityMatrices/py_abstract_density_matrix.cc
Sources/Machine/DensityMatrices/py_abstract_density_matrix.hpp
diff --git a/Sources/Machine/DensityMatrices/density_matrix_machine.hpp b/Sources/Machine/DensityMatrices/density_matrix_machine.hpp
index 005b93c14..521cdc198 100644
--- a/Sources/Machine/DensityMatrices/density_matrix_machine.hpp
+++ b/Sources/Machine/DensityMatrices/density_matrix_machine.hpp
@@ -18,6 +18,7 @@
#include "abstract_density_matrix.hpp"
#include "diagonal_density_matrix.hpp"
+#include "density_matrix_row.hpp"
#include "ndm_spin_phase.hpp"
#endif // NETKET_DENSITY_MATRIX_MACHINE_HPP
diff --git a/Sources/Machine/DensityMatrices/density_matrix_row.cc b/Sources/Machine/DensityMatrices/density_matrix_row.cc
new file mode 100644
index 000000000..a95b12fbc
--- /dev/null
+++ b/Sources/Machine/DensityMatrices/density_matrix_row.cc
@@ -0,0 +1,62 @@
+// 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.
+
+#include "density_matrix_row.hpp"
+
+namespace netket {
+
+using VectorType = DensityMatrixRow::VectorType;
+using VisibleConstType = DensityMatrixRow::VisibleConstType;
+
+Complex DensityMatrixRow::LogValSingle(VisibleConstType v_col, const any <) {
+ // return density_matrix_.LogValSingle(v_row_.replicate(v_col.rows(),1),
+ // v_col, lt);
+ return density_matrix_.LogValSingle(v_row_, v_col, lt);
+}
+
+VectorType DensityMatrixRow::DerLogSingle(VisibleConstType v_col,
+ const any <) {
+ return density_matrix_.DerLogSingle(v_row_, v_col, lt);
+}
+
+void DensityMatrixRow::SetRow(VisibleConstType v) { v_row_ = v; }
+
+VisibleConstType DensityMatrixRow::GetRow() const { return v_row_; }
+
+int DensityMatrixRow::Npar() const { return density_matrix_.Npar(); }
+
+VectorType DensityMatrixRow::GetParameters() {
+ return density_matrix_.GetParameters();
+}
+void DensityMatrixRow::SetParameters(VectorConstRefType pars) {
+ return density_matrix_.SetParameters(pars);
+}
+int DensityMatrixRow::Nvisible() const {
+ return density_matrix_.NvisiblePhysical();
+}
+
+bool DensityMatrixRow::IsHolomorphic() const noexcept {
+ return density_matrix_.IsHolomorphic();
+}
+
+void DensityMatrixRow::Save(const std::string &filename) const {
+ return density_matrix_.Save(filename);
+}
+
+void DensityMatrixRow::Load(const std::string &filename) {
+ return density_matrix_.Load(filename);
+}
+
+} // namespace netket
\ No newline at end of file
diff --git a/Sources/Machine/DensityMatrices/density_matrix_row.hpp b/Sources/Machine/DensityMatrices/density_matrix_row.hpp
new file mode 100644
index 000000000..9b8c64c89
--- /dev/null
+++ b/Sources/Machine/DensityMatrices/density_matrix_row.hpp
@@ -0,0 +1,75 @@
+// 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_DENSITYMATRIX_ROW_HPP
+#define NETKET_DENSITYMATRIX_ROW_HPP
+
+#include "Machine/abstract_machine.hpp"
+#include "Utils/random_utils.hpp"
+#include "abstract_density_matrix.hpp"
+
+#include <Eigen/Core>
+#include <functional>
+#include <limits>
+#include <vector>
+
+namespace netket {
+class DensityMatrixRow : public AbstractMachine {
+
+ AbstractDensityMatrix &density_matrix_;
+
+ Eigen::VectorXd v_row_;
+
+ public:
+ explicit DensityMatrixRow(AbstractDensityMatrix &dm, VisibleConstType v_row)
+ : AbstractMachine(dm.GetHilbertPhysicalShared()), density_matrix_(dm) {
+ v_row_.resize(dm.GetHilbertPhysical().Size());
+ SetRow(v_row);
+ } ;
+
+ explicit DensityMatrixRow(AbstractDensityMatrix &dm)
+ : AbstractMachine(dm.GetHilbertPhysicalShared()), density_matrix_(dm) {
+ v_row_.resize(dm.GetHilbertPhysical().Size());
+ } ;
+
+ const AbstractDensityMatrix &GetFullDensityMatrix() const noexcept {
+ return density_matrix_;
+ }
+
+ Complex LogValSingle(VisibleConstType v_col, const any <) override;
+
+ VectorType DerLogSingle(VisibleConstType v, const any <) override;
+
+ void SetRow(VisibleConstType v);
+
+ VisibleConstType GetRow() const;
+
+ int Npar() const override;
+
+ VectorType GetParameters() override;
+
+ void SetParameters(VectorConstRefType pars) override;
+
+ int Nvisible() const override ;
+
+ bool IsHolomorphic() const noexcept override ;
+
+ void Save(const std::string &filename) const override ;
+
+ void Load(const std::string &filename) override ;
+};
+} // namespace netket
+
+#endif // NETKET_DENSITYMATRIX_ROW_HPP
diff --git a/Sources/Machine/DensityMatrices/py_density_matrix.cc b/Sources/Machine/DensityMatrices/py_density_matrix.cc
index 88a0ebec4..adbf75789 100644
--- a/Sources/Machine/DensityMatrices/py_density_matrix.cc
+++ b/Sources/Machine/DensityMatrices/py_density_matrix.cc
@@ -18,6 +18,7 @@
#include "Utils/messages.hpp"
#include "abstract_density_matrix.hpp"
+#include "density_matrix_row.hpp"
#include "diagonal_density_matrix.hpp"
#include "ndm_spin_phase.hpp"
@@ -90,7 +91,43 @@ void AddDiagonalDensityMatrix(py::module &subm) {
Args:
dm: the density matrix.
-)EOF");
+)EOF")
+ .def_property_readonly(
+ "parent", &DiagonalDensityMatrix::GetFullDensityMatrix,
+ R"EOF(abstract_density_matrix: Returns the parent density
+ matrix of this Row (of the parent density matrix).)EOF");
+}
+
+void AddDensityMatrixRow(py::module &subm) {
+ py::class_<DensityMatrixRow, AbstractMachine>(subm, "DensityMatrixRow", R"EOF(
+ A Machine sampling the Row `v` of a density matrix.)EOF")
+ .def(py::init<AbstractDensityMatrix &>(), py::keep_alive<1, 2>(),
+ py::arg("dm"), R"EOF(
+
+ Constructs a new ``DensityMatrixRow`` machine sampling the
+ row `v` of the provided density matrix.
+
+ Args:
+ dm: the density matrix.
+ v: the configuration of the selected row.
+)EOF")
+ .def_property(
+ "row", &DensityMatrixRow::GetRow,
+ [](DensityMatrixRow &self, py::array_t<double> xr) {
+ if (xr.ndim() == 1) {
+ auto v_row = xr.cast<Eigen::Ref<const VectorXd>>();
+ return self.SetRow(v_row);
+ } else {
+ throw InvalidInputError{
+ "Invalid input dimensions: the row configuration "
+ "should be a vector."};
+ }
+ },
+ R"EOF(double vector: The state identifying the row x of this machine psi(x') = <x|rho|x'>.)EOF")
+ .def_property_readonly(
+ "parent", &DensityMatrixRow::GetFullDensityMatrix,
+ R"EOF(abstract_density_matrix: Returns the parent density
+ matrix of this Row (of the parent density matrix).)EOF");
}
void AddAbstractDensityMatrix(py::module &subm) {
@@ -180,6 +217,23 @@ void AddAbstractDensityMatrix(py::module &subm) {
R"EOF(
Returns the wrapped machine sampling the diagonal of this density matrix.
)EOF")
+ .def(
+ "row",
+ [](AbstractDensityMatrix &self,
+ py::array_t<double> xr) -> DensityMatrixRow {
+ if (xr.ndim() == 1) {
+ auto v_row = xr.cast<Eigen::Ref<const VectorXd>>();
+ return DensityMatrixRow(self, v_row);
+ } else {
+ throw InvalidInputError{
+ "Invalid input dimensions: the row configuration should be a "
+ "vector."};
+ }
+ },
+ py::arg("row"),
+ R"EOF(
+ Returns the wrapped machine sampling the row 'v' of this density matrix.
+ )EOF")
.def("log_val",
[](AbstractDensityMatrix &self, py::array_t<double> xr,
py::array_t<double> xc) {
@@ -307,6 +361,7 @@ void AddDensityMatrixModule(py::module subm) {
AddAbstractDensityMatrix(subm);
AddNdmSpinPhase(subm);
AddDiagonalDensityMatrix(subm);
+ AddDensityMatrixRow(subm);
}
} // namespace netket
--
GitLab