squlearn 0.7.2__tar.gz → 0.7.3__tar.gz

{squlearn-0.7.2 → squlearn-0.7.3}/CITATION.cff

@@ -27,6 +27,9 @@ preferred-citation:
       given-names: Frederic
       orcid: https://orcid.org/0009-0008-6240-8390
       affiliation: Fraunhofer Institute for Manufacturing Engineering and Automation IPA
+    - family-names: Hagelüken
+      given-names: Manuel
+      affilliation: Fraunhofer Institute for Manufacturing Engineering and Automation IPA
     - family-names: Roth
       given-names: Marco
       orcid: https://orcid.org/0000-0002-1276-5655

{squlearn-0.7.2 → squlearn-0.7.3}/PKG-INFO

@@ -1,9 +1,9 @@
 Metadata-Version: 2.1
 Name: squlearn
-Version: 0.7.2
+Version: 0.7.3
 Summary: A library for quantum machine learning following the scikit-learnstandard.
 Keywords: quantum,machine learning,qml
-Author-email: David Kreplin <david.kreplin@ipa.fraunhofer.de>, Frederic Rapp <frederic.rapp@ipa.fraunhofer.de>, Marco Roth <marco.roth@ipa.fraunhofer.de>, Jan Schnabel <jan.schnabel@ipa.fraunhofer.de>, Moritz Willmann <moritz.willmann@ipa.fraunhofer.de>
+Author-email: David Kreplin <david.kreplin@ipa.fraunhofer.de>, Moritz Willmann <moritz.willmann@ipa.fraunhofer.de>, Jan Schnabel <jan.schnabel@ipa.fraunhofer.de>, Frederic Rapp <frederic.rapp@ipa.fraunhofer.de>, Manuel Hagelüken <manuel.hagelueken@ipa.fraunhofer.de>, Marco Roth <marco.roth@ipa.fraunhofer.de>
 Maintainer-email: David Kreplin <david.kreplin@ipa.fraunhofer.de>, Moritz Willmann <moritz.willmann@ipa.fraunhofer.de>
 Requires-Python: >=3.9
 Description-Content-Type: text/markdown
@@ -97,7 +97,7 @@ sQUlearn is released under the [Apache License 2.0](https://github.com/sQUlearn/
 ## Cite sQUlearn
 If you use sQUlearn in your work, please cite our paper:
 
-> Kreplin, D. A., Willmann, M., Schnabel, J., Rapp, F., & Roth, M. (2023). sQUlearn - A Python Library for Quantum Machine Learning. [https://doi.org/10.48550/arXiv.2311.08990](https://doi.org/10.48550/arXiv.2311.08990)
+> Kreplin, D. A., Willmann, M., Schnabel, J., Rapp, F., Hagelüken, M., & Roth, M. (2023). sQUlearn - A Python Library for Quantum Machine Learning. [https://doi.org/10.48550/arXiv.2311.08990](https://doi.org/10.48550/arXiv.2311.08990)
 
 ## Contact
 This project is maintained by the quantum computing group at the Fraunhofer Institute for Manufacturing Engineering and Automation IPA.

{squlearn-0.7.2 → squlearn-0.7.3}/README.md

@@ -49,7 +49,7 @@ sQUlearn is released under the [Apache License 2.0](https://github.com/sQUlearn/
 ## Cite sQUlearn
 If you use sQUlearn in your work, please cite our paper:
 
-> Kreplin, D. A., Willmann, M., Schnabel, J., Rapp, F., & Roth, M. (2023). sQUlearn - A Python Library for Quantum Machine Learning. [https://doi.org/10.48550/arXiv.2311.08990](https://doi.org/10.48550/arXiv.2311.08990)
+> Kreplin, D. A., Willmann, M., Schnabel, J., Rapp, F., Hagelüken, M., & Roth, M. (2023). sQUlearn - A Python Library for Quantum Machine Learning. [https://doi.org/10.48550/arXiv.2311.08990](https://doi.org/10.48550/arXiv.2311.08990)
 
 ## Contact
 This project is maintained by the quantum computing group at the Fraunhofer Institute for Manufacturing Engineering and Automation IPA.

{squlearn-0.7.2 → squlearn-0.7.3}/pyproject.toml

@@ -7,10 +7,11 @@ name = "squlearn"
 readme = "README.md"
 authors = [
     {name = "David Kreplin", email = "david.kreplin@ipa.fraunhofer.de"},
+    {name = "Moritz Willmann", email = "moritz.willmann@ipa.fraunhofer.de"},
+    {name = "Jan Schnabel", email = "jan.schnabel@ipa.fraunhofer.de"},
     {name = "Frederic Rapp", email = "frederic.rapp@ipa.fraunhofer.de"},
+    {name = "Manuel Hagelüken", email = "manuel.hagelueken@ipa.fraunhofer.de"},
     {name = "Marco Roth", email = "marco.roth@ipa.fraunhofer.de"},
-    {name = "Jan Schnabel", email = "jan.schnabel@ipa.fraunhofer.de"},
-    {name = "Moritz Willmann", email = "moritz.willmann@ipa.fraunhofer.de"},
 ]
 maintainers = [
     {name = "David Kreplin", email = "david.kreplin@ipa.fraunhofer.de"},

{squlearn-0.7.2 → squlearn-0.7.3}/src/squlearn/__init__.py

@@ -3,7 +3,7 @@
 from .util import Executor
 from . import observables, encoding_circuit, kernel, optimizers, qnn, util
 
-__version__ = "0.7.2"
+__version__ = "0.7.3"
 
 __all__ = [
     "Executor",

{squlearn-0.7.2 → squlearn-0.7.3}/src/squlearn/encoding_circuit/layered_encoding_circuit.py

@@ -1,14 +1,15 @@
+import numpy as np
+from typing import Union, Callable
+import copy
+
+import sympy as sp
+
 from qiskit import QuantumCircuit
 from qiskit.circuit import ParameterVector
 from qiskit.circuit.library import RXGate, RYGate, RZGate, PhaseGate, UGate
 from qiskit.circuit.library import CPhaseGate, CHGate, CXGate, CYGate, CZGate
 from qiskit.circuit.library import SwapGate, CRXGate, CRYGate, CRZGate, RXXGate
 from qiskit.circuit.library import RYYGate, RZXGate, RZZGate, CUGate
-from typing import Union, Callable
-import copy
-
-# is needed for making encoding circuits with numpy functions using strings:
-import numpy as np
 
 from .encoding_circuit_base import EncodingCircuitBase
 
@@ -1268,15 +1269,31 @@ class LayeredPQC:
         """initializes a encoding circuit through a given string of gates"""
 
         def generate_function(map_string, args):
-            """Translates a string into a function"""
-            function_string = """\
-def math_function({var}):
-    return {func}
-            """.format(
-                func=map_string, var=args
-            )
-            exec(function_string, globals())
-            return math_function  # pylint: disable=undefined-variable
+            """Function for creating a callable function from a string
+
+            Args:
+                map_string (str): The string representation of the function
+                args (str): The string representation of the arguments of the function
+
+            Returns:
+                callable_function (function): The function that can be called with the arguments
+            """
+            # Split the argument string into individual variable names
+            arg_names = args.split(",")
+
+            # Remove "np." prefix
+            map_string = map_string.replace("np.", "")
+
+            # Create symbols for each variable
+            symbols = [sp.Symbol(arg) for arg in arg_names]
+
+            # Parse the map_string into a SymPy expression
+            expr = sp.sympify(map_string, evaluate=False)
+
+            # Create the function
+            callable_function = sp.lambdify(symbols, expr, modules=np)
+
+            return callable_function
 
         def get_closing_bracket_index(word, index):
             """gives to an open round bracket '(' the location of the closing bracket. This works especially, if there are more than one open brackets."""

{squlearn-0.7.2 → squlearn-0.7.3}/src/squlearn/qnn/loss.py

@@ -450,7 +450,7 @@ class SquaredLoss(LossBase):
         and ground_truth as
 
         .. math::
-           \sum_j \sum_i w_i \left(f\left(x_i\right)-f_ref\left(x_i\right)\right) \frac{\partial f(x_i)}{\partial p_j}
+           2\sum_j \sum_i w_i \left(f\left(x_i\right)-f_ref\left(x_i\right)\right) \frac{\partial f(x_i)}{\partial p_j}
 
         Args:
             value_dict (dict): Contains calculated values of the model

{squlearn-0.7.2 → squlearn-0.7.3}/src/squlearn/qnn/qnnc.py

@@ -138,6 +138,7 @@ class QNNClassifier(BaseQNN, ClassifierMixin):
             **kwargs,
         )
         self._label_binarizer = None
+        self.classes_ = None
 
     def predict(self, X: np.ndarray) -> np.ndarray:
         """Predict using the QNN.
@@ -189,13 +190,17 @@ class QNNClassifier(BaseQNN, ClassifierMixin):
         """
         if not self._is_fitted:
             self._label_binarizer = LabelBinarizer()
-            self._label_binarizer.fit(y)
-
-        if len(y.shape) == 1:
-            y = self._label_binarizer.transform(y).ravel()
+            y = self._label_binarizer.fit_transform(y)
+            self.classes_ = self._label_binarizer.classes_
         else:
             y = self._label_binarizer.transform(y)
 
+        if isinstance(self.operator, list) and len(self.operator) == 2 and y.shape[1] == 1:
+            y = np.hstack([1 - y, y])
+
+        if y.shape[1] == 1:
+            y = self._label_binarizer.transform(y).ravel()
+
         loss = self.loss
         if self.variance is not None:
             loss = loss + VarianceLoss(alpha=self.variance)

{squlearn-0.7.2 → squlearn-0.7.3}/src/squlearn/util/data_preprocessing.py

@@ -53,12 +53,12 @@ def _adjust_input(
     error = False
     shape = np.shape(x)
 
-    if sum(shape) == 0 and x_length > 0:
-        # Empty array although x_length not zero
-        error = True
-    elif shape == () and x_length == 1:
+    if shape == () and x_length == 1:
         # Single floating point number
         xx = np.array([[x]])
+    elif sum(shape) == 0 and x_length > 0:
+        # Empty array although x_length not zero
+        error = True
     elif len(shape) == 1:
         if x_length == 1:
             xx = np.array([np.array([xx]) for xx in x])

{squlearn-0.7.2 → squlearn-0.7.3}/src/squlearn/util/executor.py

@@ -554,7 +554,7 @@ class Executor:
                 if self._caching:
 
                     # Generate hash value for caching
-                    hash_value = self._cache.hash_variable(
+                    hash_value_adjusted = self._cache.hash_variable(
                         [
                             "pennylane_execute",
                             hash_value,
@@ -563,22 +563,27 @@ class Executor:
                         ]
                     )
 
-                    result = self._cache.get_file(hash_value)
+                    result = self._cache.get_file(hash_value_adjusted)
                     cached = True
+                else:
+                    hash_value_adjusted = None
 
                 if result is None:
                     cached = False
-                    # Execute the circuit todo: implement restart
-                    self._logger.info(
-                        f"Executor start execution of pennylane circuit with hash value: {{}}".format(
-                            hash_value
+                    if self._caching:
+                        self._logger.info(
+                            f"Execution of pennylane circuit function with hash value: {{}}".format(
+                                hash_value_adjusted
+                            )
                         )
-                    )
+                    else:
+                        self._logger.info(f"Execution of pennylane circuit function")
+                    # Execution of pennylane circuit function
                     result = function()
                     self._logger.info(f"Execution of pennylane circuit successful")
-                else:
+                elif self._caching:
                     self._logger.info(
-                        f"Cached result found with hash value: {{}}".format(hash_value)
+                        f"Cached result found with hash value: {{}}".format(hash_value_adjusted)
                     )
 
                 success = True
@@ -621,7 +626,7 @@ class Executor:
             )
 
         if self._caching and not cached:
-            self._cache.store_file(hash_value, copy.copy(result))
+            self._cache.store_file(hash_value_adjusted, copy.copy(result))
 
         return result