!12737 quantum state evolution operator

From: @donghufeng
Reviewed-by: 
Signed-off-by:

mindspore/ccsrc/backend/kernel_compiler/cpu/quantum/evolution_cpu_kernel.cc

@@ -0,0 +1,95 @@
+/**
+ * Copyright 2021 Huawei Technologies Co., Ltd
+ *
+ * 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 "backend/kernel_compiler/cpu/quantum/evolution_cpu_kernel.h"
+
+#include <memory>
+#include <algorithm>
+#include "utils/ms_utils.h"
+#include "runtime/device/cpu/cpu_device_address.h"
+
+namespace mindspore {
+namespace kernel {
+void EvolutionCPUKernel::InitPQCStructure(const CNodePtr &kernel_node) {
+  n_qubits_ = AnfAlgo::GetNodeAttr<int64_t>(kernel_node, mindquantum::kNQubits);
+  param_names_ = AnfAlgo::GetNodeAttr<mindquantum::transformer::NamesType>(kernel_node, mindquantum::kParamNames);
+  gate_names_ = AnfAlgo::GetNodeAttr<mindquantum::transformer::NamesType>(kernel_node, mindquantum::kGateNames);
+  gate_matrix_ =
+    AnfAlgo::GetNodeAttr<mindquantum::transformer::ComplexMatrixsType>(kernel_node, mindquantum::kGateMatrix);
+  gate_obj_qubits_ = AnfAlgo::GetNodeAttr<mindquantum::transformer::Indexess>(kernel_node, mindquantum::kGateObjQubits);
+  gate_ctrl_qubits_ =
+    AnfAlgo::GetNodeAttr<mindquantum::transformer::Indexess>(kernel_node, mindquantum::kGateCtrlQubits);
+  gate_params_names_ =
+    AnfAlgo::GetNodeAttr<mindquantum::transformer::ParasNameType>(kernel_node, mindquantum::kGateParamsNames);
+  gate_coeff_ = AnfAlgo::GetNodeAttr<mindquantum::transformer::CoeffsType>(kernel_node, mindquantum::kGateCoeff);
+  gate_requires_grad_ =
+    AnfAlgo::GetNodeAttr<mindquantum::transformer::RequiresType>(kernel_node, mindquantum::kGateRequiresGrad);
+  hams_pauli_coeff_ =
+    AnfAlgo::GetNodeAttr<mindquantum::transformer::PaulisCoeffsType>(kernel_node, mindquantum::kHamsPauliCoeff);
+  hams_pauli_word_ =
+    AnfAlgo::GetNodeAttr<mindquantum::transformer::PaulisWordsType>(kernel_node, mindquantum::kHamsPauliWord);
+  hams_pauli_qubit_ =
+    AnfAlgo::GetNodeAttr<mindquantum::transformer::PaulisQubitsType>(kernel_node, mindquantum::kHamsPauliQubit);
+}
+
+void EvolutionCPUKernel::InitKernel(const CNodePtr &kernel_node) {
+  MS_EXCEPTION_IF_NULL(kernel_node);
+  std::vector<size_t> param_shape = AnfAlgo::GetInputDeviceShape(kernel_node, 0);
+  std::vector<size_t> result_shape = AnfAlgo::GetOutputDeviceShape(kernel_node, 0);
+  if (param_shape.size() != 1 || result_shape.size() != 2) {
+    MS_LOG(EXCEPTION) << "evolution invalid input size";
+  }
+  state_len_ = result_shape[0];
+  InitPQCStructure(kernel_node);
+  auto circs = mindquantum::transformer::CircuitTransfor(gate_names_, gate_matrix_, gate_obj_qubits_, gate_ctrl_qubits_,
+                                                         gate_params_names_, gate_coeff_, gate_requires_grad_);
+  circ_ = circs[0];
+  hams_ = mindquantum::transformer::HamiltoniansTransfor(hams_pauli_coeff_, hams_pauli_word_, hams_pauli_qubit_);
+  if (hams_.size() > 1) {
+    MS_LOG(EXCEPTION) << "evolution only work for single hamiltonian or no hamiltonian.";
+  }
+}
+
+bool EvolutionCPUKernel::Launch(const std::vector<kernel::AddressPtr> &inputs,
+                                const std::vector<kernel::AddressPtr> & /*workspace*/,
+                                const std::vector<kernel::AddressPtr> &outputs) {
+  if (inputs.size() != 1 || outputs.size() != 1) {
+    MS_LOG(EXCEPTION) << "evolution error input output size!";
+  }
+  auto param_data = reinterpret_cast<float *>(inputs[0]->addr);
+  auto output = reinterpret_cast<float *>(outputs[0]->addr);
+  MS_EXCEPTION_IF_NULL(param_data);
+  MS_EXCEPTION_IF_NULL(output);
+  sim_ = mindquantum::PQCSimulator(1, n_qubits_);
+  mindquantum::ParameterResolver pr;
+  for (size_t i = 0; i < param_names_.size(); i++) {
+    pr.SetData(param_names_.at(i), param_data[i]);
+  }
+  sim_.Evolution(circ_, pr);
+  if (hams_.size() == 1) {
+    sim_.ApplyHamiltonian(hams_[0]);
+  }
+  if (state_len_ != sim_.vec_.size()) {
+    MS_LOG(EXCEPTION) << "simulation error number of quantum qubit!";
+  }
+  size_t poi = 0;
+  for (auto &v : sim_.vec_) {
+    output[poi++] = v.real();
+    output[poi++] = v.imag();
+  }
+  return true;
+}
+}  // namespace kernel
+}  // namespace mindspore

mindspore/ccsrc/backend/kernel_compiler/cpu/quantum/evolution_cpu_kernel.h

@@ -0,0 +1,68 @@
+/**
+ * Copyright 2021 Huawei Technologies Co., Ltd
+ *
+ * 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 MINDSPORE_CCSRC_BACKEND_KERNEL_COMPILER_CPU_EVOLUTION_CPU_KERNEL_H_
+#define MINDSPORE_CCSRC_BACKEND_KERNEL_COMPILER_CPU_EVOLUTION_CPU_KERNEL_H_
+
+#include <vector>
+#include "backend/kernel_compiler/cpu/cpu_kernel.h"
+#include "backend/kernel_compiler/cpu/cpu_kernel_factory.h"
+#include "mindquantum/pqc_simulator.h"
+#include "mindquantum/transformer.h"
+#include "mindquantum/circuit.h"
+#include "mindquantum/parameter_resolver.h"
+
+namespace mindspore {
+namespace kernel {
+class EvolutionCPUKernel : public CPUKernel {
+ public:
+  EvolutionCPUKernel() = default;
+  ~EvolutionCPUKernel() override = default;
+
+  void InitKernel(const CNodePtr &kernel_node) override;
+
+  bool Launch(const std::vector<AddressPtr> &inputs, const std::vector<AddressPtr> &workspace,
+              const std::vector<AddressPtr> &outputs) override;
+
+  void InitPQCStructure(const CNodePtr &kernel_node);
+
+ private:
+  int64_t n_qubits_;
+  size_t state_len_;
+  mindquantum::PQCSimulator sim_;
+  mindquantum::BasicCircuit circ_;
+  mindquantum::transformer::Hamiltonians hams_;
+  mindquantum::transformer::NamesType param_names_;
+
+  // quantum circuit
+  mindquantum::transformer::NamesType gate_names_;
+  mindquantum::transformer::ComplexMatrixsType gate_matrix_;
+  mindquantum::transformer::Indexess gate_obj_qubits_;
+  mindquantum::transformer::Indexess gate_ctrl_qubits_;
+  mindquantum::transformer::ParasNameType gate_params_names_;
+  mindquantum::transformer::CoeffsType gate_coeff_;
+  mindquantum::transformer::RequiresType gate_requires_grad_;
+
+  // hamiltonian
+  mindquantum::transformer::PaulisCoeffsType hams_pauli_coeff_;
+  mindquantum::transformer::PaulisWordsType hams_pauli_word_;
+  mindquantum::transformer::PaulisQubitsType hams_pauli_qubit_;
+};
+
+MS_REG_CPU_KERNEL(Evolution, KernelAttr().AddInputAttr(kNumberTypeFloat32).AddOutputAttr(kNumberTypeFloat32),
+                  EvolutionCPUKernel);
+}  // namespace kernel
+}  // namespace mindspore
+#endif  // MINDSPORE_CCSRC_BACKEND_KERNEL_COMPILER_CPU_EVOLUTION_CPU_KERNEL_H_

mindspore/ccsrc/mindquantum/utils.h

@@ -39,6 +39,7 @@ ComplexType ComplexInnerProductWithControl(const Simulator::StateVector &, const
                                            std::size_t);
 const char kNThreads[] = "n_threads";
 const char kNQubits[] = "n_qubits";
+const char kParamNames[] = "param_names";
 const char kEncoderParamsNames[] = "encoder_params_names";
 const char kAnsatzParamsNames[] = "ansatz_params_names";
 const char kGateNames[] = "gate_names";

mindspore/ops/operations/__init__.py

@@ -98,7 +98,7 @@ from .sparse_ops import SparseToDense
 from ._embedding_cache_ops import (CacheSwapHashmap, SearchCacheIdx, CacheSwapTable, UpdateCache, MapCacheIdx,
                                    SubAndFilter,
                                    MapUniform, DynamicAssign, PadAndShift)
-from .quantum_ops import PQC
+from .quantum_ops import PQC, Evolution
 from .sponge_ops import (BondForce, BondEnergy, BondAtomEnergy, BondForceWithAtomEnergy, BondForceWithAtomVirial,
                          DihedralForce, DihedralEnergy, DihedralAtomEnergy, DihedralForceWithAtomEnergy,
                          AngleForce, AngleEnergy, AngleAtomEnergy, AngleForceWithAtomEnergy)
@@ -424,6 +424,7 @@ __all__ = [
     "Range",
     "IndexAdd",
     "PQC",
+    "Evolution",
     "BondForce",
     "BondEnergy",
     "BondAtomEnergy",

mindspore/ops/operations/quantum_ops.py

@@ -85,3 +85,54 @@ equal to 1, but got {}.".format(len(ansatz_data)))
         validator.check_tensors_dtypes_same_and_valid(args, mstype.float_type,
                                                       self.name)
         return encoder_data, encoder_data, encoder_data
+
+
+class Evolution(PrimitiveWithInfer):
+    r"""
+    Inputs of this operation is generated by MindQuantum framework.
+
+    Inputs:
+        - **n_qubits** (int) - The qubit number of quantum simulator.
+        - **param_names** (List[str]) - The parameters names.
+        - **gate_names** (List[str]) - The name of each gate.
+        - **gate_matrix** (List[List[List[List[float]]]]) - Real part and image
+            part of the matrix of quantum gate.
+        - **gate_obj_qubits** (List[List[int]]) - Object qubits of each gate.
+        - **gate_ctrl_qubits** (List[List[int]]) - Control qubits of each gate.
+        - **gate_params_names** (List[List[str]]) - Parameter names of each gate.
+        - **gate_coeff** (List[List[float]]) - Coefficient of eqch parameter of each gate.
+        - **gate_requires_grad** (List[List[bool]]) - Whether to calculate gradient
+            of parameters of gates.
+        - **hams_pauli_coeff** (List[List[float]]) - Coefficient of pauli words.
+        - **hams_pauli_word** (List[List[List[str]]]) - Pauli words.
+        - **hams_pauli_qubit** (List[List[List[int]]]) - The qubit that pauli matrix act on.
+
+    Outputs:
+        - **Quantum state** (Tensor) - The quantum state after evolution.
+
+    Supported Platforms:
+        ``CPU``
+    """
+    @prim_attr_register
+    def __init__(self, n_qubits, param_names, gate_names, gate_matrix,
+                 gate_obj_qubits, gate_ctrl_qubits, gate_params_names,
+                 gate_coeff, gate_requires_grad, hams_pauli_coeff,
+                 hams_pauli_word, hams_pauli_qubit):
+        """Initialize Evolutino"""
+        self.init_prim_io_names(inputs=['param_data'], outputs=['state'])
+        self.n_qubits = n_qubits
+
+    def check_shape_size(self, param_data):
+        if len(param_data) != 1:
+            raise ValueError("PQC input param_data should have dimension size \
+equal to 1, but got {}.".format(len(param_data)))
+
+    def infer_shape(self, param_data):
+        self.check_shape_size(param_data)
+        return [1 << self.n_qubits, 2]
+
+    def infer_dtype(self, param_data):
+        args = {'param_data': param_data}
+        validator.check_tensors_dtypes_same_and_valid(args, mstype.float_type,
+                                                      self.name)
+        return param_data

tests/ut/python/ops/test_ops.py

@@ -2816,6 +2816,30 @@ test_case_quantum_ops = [
         'desc_inputs': [Tensor(np.array([[1.0, 2.0, 3.0]]).astype(np.float32)),
                         Tensor(np.array([2.0, 3.0, 4.0]).astype(np.float32))],
         'skip': ['backward']}),
+    ('Evolution', {
+        'block': P.Evolution(n_qubits=3,
+                             param_names=['a'],
+                             gate_names=['npg', 'npg', 'npg', 'RY'],
+                             gate_matrix=[[[['0.7071067811865475', '0.7071067811865475'],
+                                            ['0.7071067811865475', '-0.7071067811865475']],
+                                           [['0.0', '0.0'], ['0.0', '0.0']]],
+                                          [[['0.7071067811865475', '0.7071067811865475'],
+                                            ['0.7071067811865475', '-0.7071067811865475']],
+                                           [['0.0', '0.0'], ['0.0', '0.0']]],
+                                          [[['0.0', '1.0'], ['1.0', '0.0']],
+                                           [['0.0', '0.0'], ['0.0', '0.0']]],
+                                          [[['0.0', '0.0'], ['0.0', '0.0']],
+                                           [['0.0', '0.0'], ['0.0', '0.0']]]],
+                             gate_obj_qubits=[[0], [1], [0], [0]],
+                             gate_ctrl_qubits=[[], [], [1], []],
+                             gate_params_names=[[], [], [], ['a']],
+                             gate_coeff=[[], [], [], [1.0]],
+                             gate_requires_grad=[[], [], [], [True]],
+                             hams_pauli_coeff=[[1.0]],
+                             hams_pauli_word=[[['Z']]],
+                             hams_pauli_qubit=[[[0]]]),
+        'desc_inputs': [Tensor(np.array([0.5]).astype(np.float32))],
+        'skip': ['backward']}),
 ]
 
 test_case_lists = [test_case_nn_ops, test_case_math_ops, test_case_array_ops,