eqc-models 0.9.9__tar.gz → 0.10.0__tar.gz

{eqc_models-0.9.9/eqc_models.egg-info → eqc_models-0.10.0}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.2
 Name: eqc-models
-Version: 0.9.9
+Version: 0.10.0
 Summary: Optimization and ML modeling package targeting EQC devices
 Author: Quantum Computing Inc.
 Author-email: support@quantumcomputinginc.com
@@ -13,6 +13,7 @@ License-File: LICENSE.txt
 Requires-Dist: numpy<2,>=1.22.1
 Requires-Dist: networkx<3,>=2.6.3
 Requires-Dist: pandas>=2.1.0
+Requires-Dist: scikit-learn>=1.2.1
 Requires-Dist: qci-client<5,>=4.3.0
 Requires-Dist: emucore-direct==1.0.6
 Provides-Extra: direct

eqc_models-0.10.0/compile_extensions.py

@@ -0,0 +1,67 @@
+import os
+import sys
+from setuptools import Extension
+from setuptools.command.build_py import build_py as _build_py
+import numpy
+
+# # Set cvqboost compile args
+# if sys.platform == "darwin":
+#     openmp_prefix = os.environ.get(
+#         "LIBOMP_PREFIX", "/opt/homebrew/opt/libomp"
+#     )
+#     openmp_include = os.path.join(openmp_prefix, "include")
+#     openmp_lib = os.path.join(openmp_prefix, "lib", "libomp.a")
+#     extra_compile_args_cvq = [
+#         "-Xpreprocessor",
+#         "-fopenmp",
+#         "-O3",
+#         "-ffast-math",
+#         "-march=native",
+#     ]
+#     extra_link_args_cvq = [openmp_lib, "-O3", "-march=native"]
+# elif sys.platform.startswith("linux"):
+#     extra_compile_args_cvq = [
+#         "-static-libgcc",
+#         "-fopenmp",
+#         "-O3",
+#         "-ffast-math",
+#     ]
+#     extra_link_args_cvq = [
+#         "-static-libgcc",
+#         "-static-libstdc++",
+#         "-fopenmp",
+#         "-O3",
+#     ]
+# elif sys.platform == "win32":
+#     extra_compile_args_cvq = ["/openmp"]
+#     extra_link_args_cvq = []
+
+# Modules to be compiled and include_dirs when necessary
+extensions = [
+    Extension(
+        "eqc_models.base.polyeval",
+        ["eqc_models/base/polyeval.pyx"],
+        include_dirs=[numpy.get_include()],
+        extra_compile_args=["-O3", "-ffast-math"],
+    ),
+    # Extension(
+    #     "eqc_models.ml.cvqboost_hamiltonian",
+    #     ["eqc_models/ml/cvqboost_hamiltonian.pyx"],
+    #     include_dirs=[numpy.get_include()],
+    #     extra_compile_args=extra_compile_args_cvq,
+    #     extra_link_args=extra_link_args_cvq,
+    # ),
+]
+
+
+class build_py(_build_py):
+    def run(self):
+        self.run_command("build_ext")
+        return super().run()
+
+    def initialize_options(self):
+        super().initialize_options()
+        if self.distribution.ext_modules == None:
+            self.distribution.ext_modules = []
+
+        self.distribution.ext_modules.extend(extensions)

{eqc_models-0.9.9 → eqc_models-0.10.0}/docs/build/html/_static/pygments.css

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+.highlight .nf { color: #00F } /* Name.Function */
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+.highlight .nn { color: #00F; font-weight: bold } /* Name.Namespace */
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eqc_models-0.10.0/eqc_models/combinatorics/setcover.py

@@ -0,0 +1,93 @@
+r"""
+SetCoverModel solves the mathematical programming problem
+
+$$
+\mathrm{minimize}_x \sum_{x_i:X_i \in X} c_i x_i
+$$
+
+Subject to
+
+$$
+\sum_{i:a\in X_i} x_j \geq 1 \, \forall a \in A}
+$$$
+
+and 
+
+$$
+x_i \in \{0, 1\} \forall {x_i: X_i \in X}
+$$
+
+Where $S$ is a set of all elements, $X$ is a collection of sets $X_i$, and the union of all is equal to $S$. 
+
+"""
+
+from typing import List
+import numpy as np
+from eqc_models.base import ConstrainedQuadraticModel
+
+class SetCoverModel(ConstrainedQuadraticModel):
+    """
+    Parameters
+    -------------
+
+    subsets : List
+        List of sets where the union of all sets is S
+
+    weights : List
+        List of weights where each weight is the cost of choosing the subset
+        corresponding to the index of the weight.
+
+    >>> X = [set(['A', 'B']), set(['B', 'C']), set(['C'])]
+    >>> weights = [2, 2, 1]
+    >>> model = SetCoverModel(X, weights)
+    >>> model.penalty_multiplier = 2
+    >>> from eqc_models.solvers import Dirac3IntegerCloudSolver
+    >>> solver = Dirac3IntegerCloudSolver()
+    >>> response = solver.solve(model, relaxation_schedule=1, num_samples=5) #doctest: +ELLIPSIS
+    20...
+    >>> solutions = response["results"]["solutions"]
+    >>> solutions[0]
+    [1, 0, 1, 0, 0, 0]
+    >>> model.decode(solutions[0])
+    [{'B', 'A'}, {'C'}]
+
+    """
+
+    def __init__(self, subsets, weights):
+        # ensure that X is ordered
+        self.X = X = list(subsets)
+        self.S = S = set()
+
+        for x in subsets:
+            S = S.union(x)
+        # elements is sorted to maintain consistent output
+        elements = [a for a in S]
+        elements.sort()
+        # constraints 
+        A = []
+        b = []
+        variables = [f'x_{i}' for i in range(len(X))]
+        pos = 0
+        for a in elements:
+            variables.append(f"s_{pos}")
+            constraint = [1 if a in X[i] else 0 for i in range(len(X))]
+            slacks = [0 for i in range(len(S))]
+            slacks[pos] = -1
+            A.append(constraint + slacks)
+            pos += 1
+            b.append(1)
+        n = len(variables)
+        J = np.zeros((n, n))
+        h = np.zeros((n, ))
+        h[:len(weights)] = weights
+        # call the superclass constructor with the objective and constraints
+        super(SetCoverModel, self).__init__(h, J, np.array(A), np.array(b))
+        # set upper bound on the variables to be 1 for x_i and the length of X minus 1 for the slacks
+        self.upper_bound = np.array([1 for i in range(len(weights))] + [len(X)-1 for i in range(n-len(weights))])
+
+    def decode(self, solution) -> List:
+        xbar = []
+        for i in range(len(self.X)):
+            if solution[i] > 0.5:
+                xbar.append(self.X[i])
+        return xbar

{eqc_models-0.9.9 → eqc_models-0.10.0}/eqc_models/graph/base.py

@@ -7,7 +7,34 @@ class GraphModel(QuadraticModel):
     """ """
     def __init__(self, G : nx.Graph):
         self.G = G
-        self.linear_objective, self.quad_objective = self.costFunction()
+        super().__init__(*self.costFunction())
+
+    @property
+    def linear_objective(self):
+        """Return linear terms as a vector."""
+        return self._H[0]
+
+    @property
+    def quad_objective(self):
+        """Return quadratic terms as a matrix."""
+        return self._H[1]
+
+    def costFunction(self):
+        """
+        Parameters
+        -------------
+
+        None
+
+        Returns
+        --------------
+
+        :C: linear operator (vector array of coefficients) for cost function
+        :J: quadratic operator (N by N matrix array of coefficients ) for cost function
+
+        """
+        raise NotImplementedError("GraphModel does not implement costFunction")
+
 
 class NodeModel(GraphModel):
     """ 
@@ -22,22 +49,6 @@ class NodeModel(GraphModel):
         names = [node for node in self.G.nodes]
         names.sort()
         return names
-
-    def costFunction(self):
-        """ 
-        Parameters
-        -------------
-        
-        None
-        
-        Returns
-        --------------
-        
-        :C: linear operator (vector array of coefficients) for cost function
-        :J: quadratic operator (N by N matrix array of coefficients ) for cost function
-        
-        """
-        raise NotImplementedError("NodeModel does not implement costFunction")
     
     def modularity(self, partition : Set[Set]) -> float:
         """ Calculate modularity from a partition (set of communities) """

eqc_models-0.10.0/eqc_models/graph/partition.py

@@ -0,0 +1,148 @@
+from typing import Tuple
+import numpy as np
+import scipy.sparse as sp
+import networkx as nx
+from math import modf
+from eqc_models.graph.base import GraphModel
+
+
+class GraphPartitionModel(GraphModel):
+    """
+    A model for graph partitioning into `k` parts with objective and constraints
+    derived from the Laplacian matrix and additional penalties for balance and constraints.
+    """
+
+    def __init__(self, G: nx.Graph, k: int = 2, weight: str = "weight", alpha: float = 1.0, beta_obj: float = 1.0,
+                 gamma: float = 1.0):
+        """
+        Parameters:
+        -----------
+        G : nx.Graph
+            The graph to partition.
+        k : int
+            The number of partitions.
+        weight : str
+            The key for edge weights in the graph.
+        alpha : float
+            The penalty multiplier for balance constraints.
+        beta_obj : float
+            The penalty multiplier for minimizing edge cuts (Laplacian term).
+        gamma : float
+            The penalty multiplier for assignment constraints.
+        """
+        self._G = G
+        self._k = k
+        self._weight = weight
+        self._alpha = alpha
+        self._beta_obj = beta_obj
+        self._gamma = gamma
+        self._laplacian = nx.laplacian_matrix(G, weight=weight)
+        self._num_nodes = G.number_of_nodes()
+        self._sorted_nodes = sorted(G.nodes)
+        self._constraints_offset = 0
+        self._balanced_partition_offset = 0
+        self.set_and_validate_k()
+        self._objective_matrix = self.initialize_model()
+        super().__init__(self._G)
+
+    def set_and_validate_k(self):
+        """
+        Sets k and encoding length for a graph problem
+        """
+        # modf(x) = (fractional, integer) decomposition.
+        # Make sure fractional portion is zero. Convert to int if so.
+        assert modf(self._k)[0] == 0, "'k' must be an integer."
+
+        # it's an int, so set self.k
+        self._k = int(self._k)
+
+        # Verify k >= 2
+        assert self._k >= 2, f"ERROR, k={self._k}: k must be greater than or equal to 2."
+
+        # Verify that k makes sense
+        assert self._k <= self._num_nodes, (
+            f"ERROR, k={self._k}: k must be less than number of nodes or variables. k = {self._k} and "
+            f"number of nodes = {self._num_nodes}"
+        )
+
+    def initialize_model(self):
+        """
+        Build the objective matrix and constraints for the k-partition problem.
+        """
+        if self._k == 2:
+            # For 2 partitions, construct a simpler QUBO from the Laplacian matrix
+            return self.get_two_partition_qubo()
+        else:
+            # For k > 2, construct a block-diagonal Laplacian with balance and constraints
+            laplacian_blocks = 0.5 * sp.block_diag([self._laplacian] * self._k, format="csr")
+            balance_term = self.get_balanced_partition_term()
+            constraints = self.get_constraints()
+            return (
+                self._alpha * balance_term
+                + self._gamma * constraints
+                + self._beta_obj * laplacian_blocks
+            )
+
+    def get_balanced_partition_term(self) -> sp.spmatrix:
+        """
+        Construct the quadratic penalty term for balanced partitions.
+        """
+        I_k = sp.identity(self._k)
+        Ones_n = np.ones((self._num_nodes, self._num_nodes))
+        balanced_partition_term = sp.kron(I_k, Ones_n, format="csr")
+        balanced_partition_term -= (
+            2 * self._num_nodes / self._k * sp.identity(balanced_partition_term.shape[0])
+        )
+        self._balanced_partition_offset = self._num_nodes**2 / self._k
+        return balanced_partition_term
+
+    def get_constraints(self) -> sp.spmatrix:
+        """
+        Construct the quadratic penalty term for assignment constraints.
+        """
+        I_n = sp.identity(self._num_nodes)
+        Ones_k = np.ones((self._k, self._k))
+        constraints = sp.kron(Ones_k, I_n, format="csr")
+        constraints -= 2 * sp.identity(constraints.shape[0])
+        self._constraints_offset = self._num_nodes
+        return constraints
+
+    def get_two_partition_qubo(self) -> sp.spmatrix:
+        """
+        Construct the QUBO matrix for two partitions using adjacency and penalties.
+        """
+        Garr = nx.to_scipy_sparse_matrix(self._G, weight=self._weight, nodelist=self._sorted_nodes)
+        Q = (
+            self._alpha * np.ones(Garr.shape, dtype=np.float32)
+            - self._beta_obj * Garr
+        )
+        degrees = Garr.sum(axis=1).A1  # Convert sparse matrix to 1D array
+        diag = self._beta_obj * degrees - self._alpha * (self._num_nodes - 1)
+        np.fill_diagonal(Q, diag)
+        return sp.csr_matrix(Q)
+
+    def evaluate(self, solution: np.ndarray) -> float:
+        """
+        Evaluate the objective function for a given solution.
+        """
+        assert len(solution) == self._objective_matrix.shape[0], "Solution size mismatch."
+        return float(solution.T @ self._objective_matrix @ solution)
+
+    def decode(self, solution: np.ndarray) -> dict:
+        """
+        Decode the solution vector into a partition assignment.
+        """
+        if self._k == 2:
+            return {node: int(solution[i]) for i, node in enumerate(self._sorted_nodes)}
+        else:
+            partitions, nodes = np.where(solution.reshape((self._k, self._num_nodes)) == 1)
+            return {self._sorted_nodes[node]: int(partition) for partition, node in zip(partitions, nodes)}
+
+    def costFunction(self) -> Tuple[np.ndarray, np.ndarray]:
+        """
+        Return the linear and quadratic components of the objective function.
+        """
+        Q = self._objective_matrix
+        h = Q.diagonal()
+        J = 2 * sp.triu(Q, k=1).tocsr() # Extract upper triangular part for quadratic terms
+        return h, J