squlearn 0.8.1__tar.gz → 0.8.2__tar.gz

{squlearn-0.8.1 → squlearn-0.8.2}/PKG-INFO

@@ -1,6 +1,6 @@
-Metadata-Version: 2.3
+Metadata-Version: 2.4
 Name: squlearn
-Version: 0.8.1
+Version: 0.8.2
 Summary: A library for quantum machine learning following the scikit-learn standard.
 Keywords: quantum,machine learning,qml
 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>
@@ -10,19 +10,20 @@ Description-Content-Type: text/markdown
 Classifier: License :: OSI Approved :: Apache Software License
 Classifier: Programming Language :: Python
 Classifier: Programming Language :: Python :: 3
+License-File: LICENSE.txt
 Requires-Dist: bayesian-optimization>=1.4.3,<2
 Requires-Dist: dill>=0.3.4
 Requires-Dist: mapomatic>=0.10.0
 Requires-Dist: networkx>=3.0
 Requires-Dist: numpy>=1.20
 Requires-Dist: pennylane>=0.34.0
-Requires-Dist: qiskit>=0.45.0
+Requires-Dist: qiskit>=0.45.0,<2
 Requires-Dist: qiskit-aer>=0.12.0
 Requires-Dist: qiskit-algorithms>=0.3.0
 Requires-Dist: qiskit-ibm-runtime>=0.18.0
 Requires-Dist: qiskit-machine-learning>=0.7.0
 Requires-Dist: scipy>=1.8.0
-Requires-Dist: scikit-learn>=1.2.0,<1.4.2
+Requires-Dist: scikit-learn>=1.2.0
 Requires-Dist: tqdm>=4.1.0
 Requires-Dist: black ; extra == "dev"
 Requires-Dist: flit ; extra == "dev"

{squlearn-0.8.1 → squlearn-0.8.2}/docs/modules/classes.rst

@@ -16,9 +16,9 @@ QML Regressors
    :toctree: generated/
    :template: class.rst
 
-   kernel.ml.QSVR
-   kernel.ml.QKRR
-   kernel.ml.QGPR
+   kernel.QSVR
+   kernel.QKRR
+   kernel.QGPR
    qnn.QNNRegressor
    qrc.QRCRegressor
 
@@ -33,8 +33,8 @@ QML Classifiers
    :toctree: generated/
    :template: class.rst
 
-   kernel.ml.QSVC
-   kernel.ml.QGPC
+   kernel.QSVC
+   kernel.QGPC
    qnn.QNNClassifier
    qrc.QRCClassifier
 
@@ -155,7 +155,7 @@ Core
 Quantum Kernel Core
 ------------------------------------
 
-.. automodule:: squlearn.kernel.matrix
+.. automodule:: squlearn.kernel.lowlevel_kernel
     :no-members:
     :no-inherited-members:
 
@@ -166,8 +166,8 @@ Quantum Kernel Core
    :toctree: generated/
    :template: class.rst
 
-   kernel.matrix.FidelityKernel
-   kernel.matrix.ProjectedQuantumKernel
+   kernel.lowlevel_kernel.FidelityKernel
+   kernel.lowlevel_kernel.ProjectedQuantumKernel
 
 .. automodule:: squlearn.kernel.loss
     :no-members:
@@ -198,10 +198,10 @@ QNN Core
    :template: class.rst
 
    qnn.lowlevel_qnn.LowLevelQNN
-   qnn.lowlevel_qnn_qiskit.LowLevelQNNQiskit
-   qnn.lowlevel_qnn_qiskit.Expec
-   qnn.lowlevel_qnn_pennylane.LowLevelQNNPennyLane
-   qnn.lowlevel_qnn_base.LowLevelQNNBase
+   qnn.lowlevel_qnn.lowlevel_qnn_qiskit.LowLevelQNNQiskit
+   qnn.lowlevel_qnn.lowlevel_qnn_qiskit.Expec
+   qnn.lowlevel_qnn.lowlevel_qnn_pennylane.LowLevelQNNPennyLane
+   qnn.lowlevel_qnn.lowlevel_qnn_base.LowLevelQNNBase
    qnn.loss.SquaredLoss
    qnn.loss.VarianceLoss
    qnn.loss.ODELoss
@@ -214,11 +214,11 @@ Tools for training QNNs
    :toctree: generated/
    :template: class.rst
 
-   qnn.get_variance_fac
-   qnn.get_lr_decay
-   qnn.ShotsFromRSTD
-   qnn.training.train
-   qnn.training.train_mini_batch
+   qnn.util.get_variance_fac
+   qnn.util.get_lr_decay
+   qnn.util.ShotsFromRSTD
+   qnn.util.training.train
+   qnn.util.training.train_mini_batch
 
 
 Implemented optimizers
@@ -286,11 +286,11 @@ Base Classes
 
     observables.observable_base.ObservableBase
     encoding_circuit.encoding_circuit_base.EncodingCircuitBase
-    kernel.matrix.kernel_matrix_base.KernelMatrixBase
+    kernel.lowlevel_kernel.kernel_matrix_base.KernelMatrixBase
     kernel.loss.kernel_loss_base.KernelLossBase
     optimizers.optimizer_base.OptimizerBase
     qnn.base_qnn.BaseQNN
-    qnn.loss.LossBase
+    qnn.loss.qnn_loss_base.QNNLossBase
     qrc.base_qrc.BaseQRC
 
 

{squlearn-0.8.1 → squlearn-0.8.2}/docs/user_guide/executor.rst

@@ -143,7 +143,7 @@ execution environment:
     executor = Executor(dev, shots = 1234)
 
 
-- A :class:`Backend <qiskit.providers.Backend>` from :class:`QiskitRuntimeService <qiskit_ibm_runtime.QiskitRuntimeService>`'s :meth:`get_backend <qiskit_ibm_runtime.QiskitRuntimeService.get_backend>` method, which utilizes the execution of quantum jobs on IBM Quantum.
+- A :class:`Backend <qiskit.providers.Backend>` from :class:`QiskitRuntimeService <qiskit_ibm_runtime.QiskitRuntimeService>`'s :meth:`backend <qiskit_ibm_runtime.QiskitRuntimeservice.backend>` method, which utilizes the execution of quantum jobs on IBM Quantum.
   Sessions and Primitives are automatically created and managed by the :class:`Executor <squlearn.Executor>` class (remember to close the session at the end of your code when running on IBM Quantum).
 
   .. code-block:: python
@@ -152,7 +152,7 @@ execution environment:
     from qiskit_ibm_runtime import QiskitRuntimeService
 
     service = QiskitRuntimeService(channel="ibm_quantum", token="INSERT_YOUR_TOKEN_HERE")
-    executor = Executor(service.get_backend('ibm_brisbane'))
+    executor = Executor(service.backend('ibm_brisbane'))
     ...
     # Close the session at the end of your code
     executor.close_session()
@@ -179,7 +179,7 @@ execution environment:
     from qiskit_ibm_runtime import QiskitRuntimeService
 
     service = QiskitRuntimeService(channel="ibm_quantum", token="INSERT_YOUR_TOKEN_HERE")
-    session = service.create_session(backend = service.get_backend('ibm_brisbane'))
+    session = service.create_session(backend = service.backend('ibm_brisbane'))
     executor = Executor(session)
     ...
     executor.close_session()
@@ -195,7 +195,7 @@ execution environment:
 
     service = QiskitRuntimeService(channel="ibm_quantum", token="INSERT_YOUR_TOKEN_HERE")
 
-    session = service.create_session(backend = service.get_backend('ibm_brisbane'))
+    session = service.create_session(backend = service.backend('ibm_brisbane'))
     estimator = Estimator(session=session)
     estimator.options.resilience.zne_mitigation = True
     estimator.options.resilience.zne.noise_factors = (1, 3, 5)
@@ -233,7 +233,7 @@ backend from the :class:`QiskitRuntimeService <qiskit_ibm_runtime.QiskitRuntimeS
                              "zne":{"noise_factors" : (1, 3, 5),"extrapolator":"linear" }}
               }
 
-    executor = Executor(service.get_backend('ibm_brisbane'), # Specify the backend
+    executor = Executor(service.backend('ibm_brisbane'), # Specify the backend
                          cache_dir='cache', # Set cache folder to "cache"
                          caching=True, # Enable caching default for remote executions
                          log_file="executor.log", # Set-up logging file
@@ -296,7 +296,7 @@ They folow the same dictionary datastructure than the original V2 Primtives.
                              "zne":{"noise_factors" : (1, 3, 5),"extrapolator":"linear" }}
               }
 
-    executor = Executor(service.get_backend("ibm_brisbane"),options_estimator=options)
+    executor = Executor(service.backend("ibm_brisbane"),options_estimator=options)
 
 Alternatively, the options can be adjusted by the attributes :meth:`estimator_options` and :meth:`sampler_options` similar
 to the option interface of the V2 Primtives:
@@ -307,7 +307,7 @@ to the option interface of the V2 Primtives:
     from qiskit_ibm_runtime import QiskitRuntimeService
 
     service = QiskitRuntimeService(channel="ibm_quantum", token="INSERT_YOUR_TOKEN_HERE")
-    executor = Executor(service.get_backend("ibm_brisbane"))
+    executor = Executor(service.backend("ibm_brisbane"))
     executor.sampler_options.dynamical_decoupling.enable = True
     executor.sampler_options.dynamical_decoupling.sequence_type = "XpXm"
 
@@ -321,7 +321,7 @@ Options can be adjusted by the :meth:`set_options` method of the Primitives that
 
     service = QiskitRuntimeService(channel="ibm_quantum", token="INSERT_YOUR_TOKEN_HERE")
 
-    executor = Executor(service.get_backend("ibm_brisbane"))
+    executor = Executor(service.backend("ibm_brisbane"))
     estimator = executor.get_estimator()
     estimator.set_options(resilience_level=2)
 

{squlearn-0.8.1 → squlearn-0.8.2}/docs/user_guide/kernel_methods.rst

@@ -66,7 +66,7 @@ given by measurements.
     These will be also subject to discussion in the sQUlearn context below.
 
 
-.. currentmodule:: squlearn.kernel.ml
+.. currentmodule:: squlearn.kernel
 
 High-Level methods that employ quantum kernels
 ----------------------------------------------
@@ -132,7 +132,7 @@ kernel matrices using either *thresholding* or *tikhonov* approach as described
 Regularization is by default switched of but can be set via the :code:`regularization`
 argument.
 
-.. currentmodule:: squlearn.kernel.matrix
+.. currentmodule:: squlearn.kernel.lowlevel_kernel
 
 Fidelity Quantum Kernel (FQK) via :class:`FidelityKernel`
 #########################################################

{squlearn-0.8.1 → squlearn-0.8.2}/docs/user_guide/quantum_neural_networks.rst

@@ -239,13 +239,13 @@ This is possible by providing a :class:`List` or a :class:`Callable` to the lear
 Then a learning rate is chosen from the list or calculated by the callable at the beginning of
 each iteration or epoch.
 A suitable function for generating a callable with an exponential decay of the learning rate is
-provided by :meth:`get_lr_decay`. The following example will generate an Adam optimization
+provided by :meth:`util.get_lr_decay`. The following example will generate an Adam optimization
 with an exponential decay in the learning rate from 0.01 to 0.001 over 100 iterations.
 
 .. jupyter-execute::
 
     from squlearn.optimizers import Adam
-    from squlearn.qnn import get_lr_decay
+    from squlearn.qnn.util import get_lr_decay
     adam = Adam({'lr':get_lr_decay(0.01, 0.001, 100)})
 
 
@@ -263,11 +263,12 @@ The high-level implementations of QNNs, :class:`QNNRegressor` and :class:`QNNCla
 can be initialized with a shot controller that takes care to automatically adjust the number of
 shots. The following example will generate a :class:`QNNRegressor`
 with a RSTD threshold of 0.1 and a minimum and maximum number of shots of 100 and 10000.
-It utilizes the :class:`ShotsFromRSTD <squlearn.qnn.ShotsFromRSTD>` shot controller.
+It utilizes the :class:`ShotsFromRSTD <squlearn.qnn.util.ShotsFromRSTD>` shot controller.
 
 .. code-block:: python
 
-    from squlearn.qnn import QNNRegressor, ShotsFromRSTD
+    from squlearn.qnn import QNNRegressor
+    from squlearn.qnn.util import ShotsFromRSTD
     reg = QNNRegressor(
         ...
         shot_controller = ShotsFromRSTD(rstd_bound=0.1, min_shots=100, max_shots=10000),
@@ -407,12 +408,13 @@ stages (see Ref. [1]). This can be achieved by passing a :class:`List` or a :cla
 to the keyword argument ``variance`` of the :class:`QNNRegressor` (or :class:`QNNClassifier`).
 The following example will generate a :class:`QNNRegressor` with a variance
 regularization factor that is adjusted dynamically during the optimization by utilizing the
-function :meth:`get_variance_fac`. The set-up features a final regularization factor of 0.005,
+function :meth:`util.get_variance_fac`. The set-up features a final regularization factor of 0.005,
 a decay factor of 0.08 and a plateau at :math:`\alpha=1` of 20 iterations at the beginning.
 
 .. code-block:: python
 
-    from squlearn.qnn import QNNRegressor,get_variance_fac
+    from squlearn.qnn import QNNRegressor
+    from squlearn.qnn.util import get_variance_fac
     reg = QNNRegressor(
         ...
         variance = get_variance_fac(0.005,0.08,20),

{squlearn-0.8.1 → squlearn-0.8.2}/examples/encoding_circuits/various_encoding_circuit.ipynb

@@ -214,7 +214,7 @@
    "source": [
     "\"\"\"\n",
     "This example shows how to wrap a Qiskit QuantumCircuit object into\n",
-    "a sQUlearn EncodingCircuitBase object. The TwoLocal circuit below can be \n",
+    "a sQUlearn EncodingCircuitBase object. The TwoLocal circuit below can be\n",
     "replaced by any other QuantumCircuit\n",
     "\"\"\"\n",
     "\n",

{squlearn-0.8.1 → squlearn-0.8.2}/examples/executor/example_executor_qiskit.ipynb

@@ -61,13 +61,13 @@
     "# from a backend obtained from the Qiskit IBM runtime service (here, the account has to be set-up previously):\n",
     "service = QiskitRuntimeService(channel=\"ibm_quantum\")\n",
     "# Alternative: service = QiskitRuntimeService(channel=\"ibm_quantum\",token=\"YOUR_TOKEN_HERE\")\n",
-    "executor = Executor(service.get_backend(\"ibm_kyoto\"))\n",
+    "executor = Executor(service.backend(\"ibm_kyoto\"))\n",
     "# from a session set-up with the Qiskit IBM runtime service:\n",
-    "session = Session(service, backend=service.get_backend(\"ibm_kyoto\"), max_time=28800)\n",
+    "session = Session(service, backend=service.backend(\"ibm_kyoto\"), max_time=28800)\n",
     "executor = Executor(session)\n",
     "\n",
     "# from the Qiskit IBM runtime Estimator primitive:\n",
-    "session = Session(service, backend=service.get_backend(\"ibm_kyoto\"), max_time=28800)\n",
+    "session = Session(service, backend=service.backend(\"ibm_kyoto\"), max_time=28800)\n",
     "estimator = RuntimeEstimator(session=session)\n",
     "executor = Executor(estimator)"
    ]

{squlearn-0.8.1 → squlearn-0.8.2}/examples/kernel/example_projected_kernel.ipynb

@@ -581,16 +581,16 @@
        "}\n",
        "</style><div id=\"sk-container-id-1\" class=\"sk-top-container\"><div class=\"sk-text-repr-fallback\"><pre>QSVC(C=1.0, break_ties=False, cache_size=200, class_weight=None,\n",
        "     decision_function_shape=&#x27;ovr&#x27;, max_iter=-1, probability=False,\n",
-       "     quantum_kernel=&lt;squlearn.kernel.matrix.projected_quantum_kernel.ProjectedQuantumKernel object at 0x0000017603089B40&gt;,\n",
+       "     quantum_kernel=&lt;squlearn.kernel.lowlevel_kernel.projected_quantum_kernel.ProjectedQuantumKernel object at 0x0000017603089B40&gt;,\n",
        "     random_state=None, shrinking=True, tol=0.001, verbose=False)</pre><b>In a Jupyter environment, please rerun this cell to show the HTML representation or trust the notebook. <br />On GitHub, the HTML representation is unable to render, please try loading this page with nbviewer.org.</b></div><div class=\"sk-container\" hidden><div class=\"sk-item\"><div class=\"sk-estimator fitted sk-toggleable\"><input class=\"sk-toggleable__control sk-hidden--visually\" id=\"sk-estimator-id-1\" type=\"checkbox\" checked><label for=\"sk-estimator-id-1\" class=\"sk-toggleable__label fitted sk-toggleable__label-arrow fitted\">&nbsp;QSVC<span class=\"sk-estimator-doc-link fitted\">i<span>Fitted</span></span></label><div class=\"sk-toggleable__content fitted\"><pre>QSVC(C=1.0, break_ties=False, cache_size=200, class_weight=None,\n",
        "     decision_function_shape=&#x27;ovr&#x27;, max_iter=-1, probability=False,\n",
-       "     quantum_kernel=&lt;squlearn.kernel.matrix.projected_quantum_kernel.ProjectedQuantumKernel object at 0x0000017603089B40&gt;,\n",
+       "     quantum_kernel=&lt;squlearn.kernel.lowlevel_kernel.projected_quantum_kernel.ProjectedQuantumKernel object at 0x0000017603089B40&gt;,\n",
        "     random_state=None, shrinking=True, tol=0.001, verbose=False)</pre></div> </div></div></div></div>"
       ],
       "text/plain": [
        "QSVC(C=1.0, break_ties=False, cache_size=200, class_weight=None,\n",
        "     decision_function_shape='ovr', max_iter=-1, probability=False,\n",
-       "     quantum_kernel=<squlearn.kernel.matrix.projected_quantum_kernel.ProjectedQuantumKernel object at 0x0000017603089B40>,\n",
+       "     quantum_kernel=<squlearn.kernel.lowlevel_kernel.projected_quantum_kernel.ProjectedQuantumKernel object at 0x0000017603089B40>,\n",
        "     random_state=None, shrinking=True, tol=0.001, verbose=False)"
       ]
      },

{squlearn-0.8.1 → squlearn-0.8.2}/examples/kernel/example_regularization_mitigation.ipynb

@@ -160,7 +160,7 @@
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "WARNING: Advanced option. Do not use it within an squlearn.kernel.ml workflow\n"
+      "WARNING: Advanced option. Do not use it within an squlearn.kernel workflow\n"
      ]
     },
     {

{squlearn-0.8.1 → squlearn-0.8.2}/examples/kernel/qgpc_workflow.ipynb

@@ -463,16 +463,16 @@
        "}\n",
        "</style><div id=\"sk-container-id-1\" class=\"sk-top-container\"><div class=\"sk-text-repr-fallback\"><pre>QGPC(copy_X_train=True, max_iter_predict=100, multi_class=&#x27;one_vs_rest&#x27;,\n",
        "     n_jobs=None, n_restarts_optimizer=0, optimizer=&#x27;fmin_l_bfgs_b&#x27;,\n",
-       "     quantum_kernel=&lt;squlearn.kernel.matrix.fidelity_kernel.FidelityKernel object at 0x000001B61DF09B40&gt;,\n",
+       "     quantum_kernel=&lt;squlearn.kernel.lowlevel_kernel.fidelity_kernel.FidelityKernel object at 0x000001B61DF09B40&gt;,\n",
        "     random_state=None)</pre><b>In a Jupyter environment, please rerun this cell to show the HTML representation or trust the notebook. <br />On GitHub, the HTML representation is unable to render, please try loading this page with nbviewer.org.</b></div><div class=\"sk-container\" hidden><div class=\"sk-item\"><div class=\"sk-estimator fitted sk-toggleable\"><input class=\"sk-toggleable__control sk-hidden--visually\" id=\"sk-estimator-id-1\" type=\"checkbox\" checked><label for=\"sk-estimator-id-1\" class=\"sk-toggleable__label fitted sk-toggleable__label-arrow fitted\">&nbsp;QGPC<span class=\"sk-estimator-doc-link fitted\">i<span>Fitted</span></span></label><div class=\"sk-toggleable__content fitted\"><pre>QGPC(copy_X_train=True, max_iter_predict=100, multi_class=&#x27;one_vs_rest&#x27;,\n",
        "     n_jobs=None, n_restarts_optimizer=0, optimizer=&#x27;fmin_l_bfgs_b&#x27;,\n",
-       "     quantum_kernel=&lt;squlearn.kernel.matrix.fidelity_kernel.FidelityKernel object at 0x000001B61DF09B40&gt;,\n",
+       "     quantum_kernel=&lt;squlearn.kernel.lowlevel_kernel.fidelity_kernel.FidelityKernel object at 0x000001B61DF09B40&gt;,\n",
        "     random_state=None)</pre></div> </div></div></div></div>"
       ],
       "text/plain": [
        "QGPC(copy_X_train=True, max_iter_predict=100, multi_class='one_vs_rest',\n",
        "     n_jobs=None, n_restarts_optimizer=0, optimizer='fmin_l_bfgs_b',\n",
-       "     quantum_kernel=<squlearn.kernel.matrix.fidelity_kernel.FidelityKernel object at 0x000001B61DF09B40>,\n",
+       "     quantum_kernel=<squlearn.kernel.lowlevel_kernel.fidelity_kernel.FidelityKernel object at 0x000001B61DF09B40>,\n",
        "     random_state=None)"
       ]
      },

{squlearn-0.8.1 → squlearn-0.8.2}/examples/qnn/example_adam.ipynb

@@ -23,7 +23,8 @@
     "from squlearn import Executor\n",
     "from squlearn.encoding_circuit import ChebyshevPQC\n",
     "from squlearn.observables import SummedPaulis\n",
-    "from squlearn.qnn import QNNRegressor, SquaredLoss, get_variance_fac, ShotsFromRSTD\n",
+    "from squlearn.qnn import QNNRegressor, SquaredLoss\n",
+    "from squlearn.qnn.util import get_variance_fac, ShotsFromRSTD\n",
     "from squlearn.optimizers import Adam"
    ]
   },
@@ -276,11 +277,8 @@
   }
  ],
  "metadata": {
-  "interpreter": {
-   "hash": "26de051ba29f2982a8de78e945f0abaf191376122a1563185a90213a26c5da77"
-  },
   "kernelspec": {
-   "display_name": "Python 3.10.2 64-bit",
+   "display_name": "venv",
    "language": "python",
    "name": "python3"
   },
@@ -294,7 +292,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.10.10"
+   "version": "3.12.7"
   },
   "orig_nbformat": 4
  },

{squlearn-0.8.1 → squlearn-0.8.2}/examples/qnn/ode_example.ipynb

@@ -28,7 +28,8 @@
     ")\n",
     "from squlearn.encoding_circuit.layered_encoding_circuit import Layer\n",
     "from squlearn.observables import SummedPaulis\n",
-    "from squlearn.qnn import QNNRegressor, ODELoss, get_lr_decay\n",
+    "from squlearn.qnn import QNNRegressor, ODELoss\n",
+    "from squlearn.qnn.util import get_lr_decay\n",
     "from squlearn.optimizers import Adam\n",
     "from scipy.integrate import odeint"
    ]

{squlearn-0.8.1 → squlearn-0.8.2}/examples/tutorials/kernel_digit_classification.ipynb

@@ -8,7 +8,7 @@
     "\n",
     "In this notebook, images of handwritten digits are classified by a quantum computer. Quantum machine learning methods promise advantages over conventional algorithms because they can map data into an exponentially large state space. However, the size of the space can also have disadvantages. In this notebook, the data is projected back into a classical space after being mapped into the Hilbert space, in order to take advantage of the benefits of QML without its drawbacks.\n",
     "\n",
-    "This notebook will make use of sQUlearn's implementations of Quantum Support Vector Classification [squlearn.kernel.QSVC](https://sQUlearn.github.io/modules/generated/squlearn.kernel.ml.QSVC.html) and Projected Quantum Kernels [squlearn.kernel.ProjectedQuantumKernel](https://sQUlearn.github.io/modules/generated/squlearn.kernel.matrix.ProjectedQuantumKernel.html).\n",
+    "This notebook will make use of sQUlearn's implementations of Quantum Support Vector Classification [squlearn.kernel.QSVC](https://sQUlearn.github.io/modules/generated/squlearn.kernel.QSVC.html) and Projected Quantum Kernels [squlearn.kernel.ProjectedQuantumKernel](https://sQUlearn.github.io/modules/generated/squlearn.kernel.lowlevel_kernel.ProjectedQuantumKernel.html).\n",
     "\n",
     "The data set used here is well known from conventional machine learning and easily solvable with conventional methods. The workflow that that is applied to solve the classification with a quantum computer is representative for this kind of task and can be transferred to more complex data sets.\n",
     "\n",
@@ -46,8 +46,8 @@
     "\n",
     "from squlearn import Executor\n",
     "from squlearn.encoding_circuit import ChebyshevPQC\n",
-    "from squlearn.kernel.ml.qsvc import QSVC\n",
-    "from squlearn.kernel.matrix import ProjectedQuantumKernel"
+    "from squlearn.kernel.qsvc import QSVC\n",
+    "from squlearn.kernel.lowlevel_kernel import ProjectedQuantumKernel"
    ]
   },
   {
@@ -916,16 +916,16 @@
        "}\n",
        "</style><div id=\"sk-container-id-1\" class=\"sk-top-container\"><div class=\"sk-text-repr-fallback\"><pre>QSVC(C=1.0, break_ties=False, cache_size=200, class_weight=None,\n",
        "     decision_function_shape=&#x27;ovr&#x27;, max_iter=-1, probability=False,\n",
-       "     quantum_kernel=&lt;squlearn.kernel.matrix.projected_quantum_kernel.ProjectedQuantumKernel object at 0x000001804D3F0A90&gt;,\n",
+       "     quantum_kernel=&lt;squlearn.kernel.lowlevel_kernel.projected_quantum_kernel.ProjectedQuantumKernel object at 0x000001804D3F0A90&gt;,\n",
        "     random_state=None, shrinking=True, tol=0.001, verbose=False)</pre><b>In a Jupyter environment, please rerun this cell to show the HTML representation or trust the notebook. <br />On GitHub, the HTML representation is unable to render, please try loading this page with nbviewer.org.</b></div><div class=\"sk-container\" hidden><div class=\"sk-item\"><div class=\"sk-estimator fitted sk-toggleable\"><input class=\"sk-toggleable__control sk-hidden--visually\" id=\"sk-estimator-id-1\" type=\"checkbox\" checked><label for=\"sk-estimator-id-1\" class=\"sk-toggleable__label fitted sk-toggleable__label-arrow fitted\">&nbsp;QSVC<span class=\"sk-estimator-doc-link fitted\">i<span>Fitted</span></span></label><div class=\"sk-toggleable__content fitted\"><pre>QSVC(C=1.0, break_ties=False, cache_size=200, class_weight=None,\n",
        "     decision_function_shape=&#x27;ovr&#x27;, max_iter=-1, probability=False,\n",
-       "     quantum_kernel=&lt;squlearn.kernel.matrix.projected_quantum_kernel.ProjectedQuantumKernel object at 0x000001804D3F0A90&gt;,\n",
+       "     quantum_kernel=&lt;squlearn.kernel.lowlevel_kernel.projected_quantum_kernel.ProjectedQuantumKernel object at 0x000001804D3F0A90&gt;,\n",
        "     random_state=None, shrinking=True, tol=0.001, verbose=False)</pre></div> </div></div></div></div>"
       ],
       "text/plain": [
        "QSVC(C=1.0, break_ties=False, cache_size=200, class_weight=None,\n",
        "     decision_function_shape='ovr', max_iter=-1, probability=False,\n",
-       "     quantum_kernel=<squlearn.kernel.matrix.projected_quantum_kernel.ProjectedQuantumKernel object at 0x000001804D3F0A90>,\n",
+       "     quantum_kernel=<squlearn.kernel.lowlevel_kernel.projected_quantum_kernel.ProjectedQuantumKernel object at 0x000001804D3F0A90>,\n",
        "     random_state=None, shrinking=True, tol=0.001, verbose=False)"
       ]
      },

{squlearn-0.8.1 → squlearn-0.8.2}/examples/tutorials/kernel_grid_search.ipynb

@@ -38,8 +38,8 @@
     "\n",
     "from squlearn import Executor\n",
     "from squlearn.encoding_circuit import YZ_CX_EncodingCircuit\n",
-    "from squlearn.kernel.matrix import FidelityKernel, ProjectedQuantumKernel\n",
-    "from squlearn.kernel.ml import QGPR, QSVR"
+    "from squlearn.kernel.lowlevel_kernel import FidelityKernel, ProjectedQuantumKernel\n",
+    "from squlearn.kernel import QGPR, QSVR"
    ]
   },
   {
@@ -622,47 +622,47 @@
        "}\n",
        "</style><div id=\"sk-container-id-1\" class=\"sk-top-container\"><div class=\"sk-text-repr-fallback\"><pre>GridSearchCV(estimator=Pipeline(steps=[(&#x27;scaler&#x27;, StandardScaler()),\n",
        "                                       (&#x27;estimator&#x27;,\n",
-       "                                        QGPR(quantum_kernel=&lt;squlearn.kernel.matrix.fidelity_kernel.FidelityKernel object at 0x0000016F98366C20&gt;))]),\n",
+       "                                        QGPR(quantum_kernel=&lt;squlearn.kernel.lowlevel_kernel.fidelity_kernel.FidelityKernel object at 0x0000016F98366C20&gt;))]),\n",
        "             param_grid=[{&#x27;estimator&#x27;: [QGPR(full_regularization=False,\n",
-       "                                             quantum_kernel=&lt;squlearn.kernel.matrix.fidelity_kernel.FidelityKernel object at 0x0000016F98366C20&gt;)],\n",
+       "                                             quantum_kernel=&lt;squlearn.kernel.lowlevel_kernel.fidelity_kernel.FidelityKernel object at 0x0000016F98366C20&gt;)],\n",
        "                          &#x27;estimat...\n",
        "                          &#x27;estimator__num_qubits&#x27;: [1, 2, 4]},\n",
        "                         {&#x27;estimator&#x27;: [QSVR(C=1.0, cache_size=200, epsilon=0.1,\n",
        "                                             max_iter=-1,\n",
-       "                                             quantum_kernel=&lt;squlearn.kernel.matrix.projected_quantum_kernel.ProjectedQuantumKernel object at 0x0000016F9872EF20&gt;,\n",
+       "                                             quantum_kernel=&lt;squlearn.kernel.lowlevel_kernel.projected_quantum_kernel.ProjectedQuantumKernel object at 0x0000016F9872EF20&gt;,\n",
        "                                             shrinking=True, tol=0.001,\n",
        "                                             verbose=False)],\n",
        "                          &#x27;estimator__num_layers&#x27;: [1, 2, 3],\n",
        "                          &#x27;estimator__num_qubits&#x27;: [1, 2, 4]}],\n",
        "             scoring=&#x27;neg_mean_squared_error&#x27;)</pre><b>In a Jupyter environment, please rerun this cell to show the HTML representation or trust the notebook. <br />On GitHub, the HTML representation is unable to render, please try loading this page with nbviewer.org.</b></div><div class=\"sk-container\" hidden><div class=\"sk-item sk-dashed-wrapped\"><div class=\"sk-label-container\"><div class=\"sk-label fitted sk-toggleable\"><input class=\"sk-toggleable__control sk-hidden--visually\" id=\"sk-estimator-id-1\" type=\"checkbox\" ><label for=\"sk-estimator-id-1\" class=\"sk-toggleable__label fitted sk-toggleable__label-arrow fitted\">&nbsp;&nbsp;GridSearchCV<a class=\"sk-estimator-doc-link fitted\" rel=\"noreferrer\" target=\"_blank\" href=\"https://scikit-learn.org/1.4/modules/generated/sklearn.model_selection.GridSearchCV.html\">?<span>Documentation for GridSearchCV</span></a><span class=\"sk-estimator-doc-link fitted\">i<span>Fitted</span></span></label><div class=\"sk-toggleable__content fitted\"><pre>GridSearchCV(estimator=Pipeline(steps=[(&#x27;scaler&#x27;, StandardScaler()),\n",
        "                                       (&#x27;estimator&#x27;,\n",
-       "                                        QGPR(quantum_kernel=&lt;squlearn.kernel.matrix.fidelity_kernel.FidelityKernel object at 0x0000016F98366C20&gt;))]),\n",
+       "                                        QGPR(quantum_kernel=&lt;squlearn.kernel.lowlevel_kernel.fidelity_kernel.FidelityKernel object at 0x0000016F98366C20&gt;))]),\n",
        "             param_grid=[{&#x27;estimator&#x27;: [QGPR(full_regularization=False,\n",
-       "                                             quantum_kernel=&lt;squlearn.kernel.matrix.fidelity_kernel.FidelityKernel object at 0x0000016F98366C20&gt;)],\n",
+       "                                             quantum_kernel=&lt;squlearn.kernel.lowlevel_kernel.fidelity_kernel.FidelityKernel object at 0x0000016F98366C20&gt;)],\n",
        "                          &#x27;estimat...\n",
        "                          &#x27;estimator__num_qubits&#x27;: [1, 2, 4]},\n",
        "                         {&#x27;estimator&#x27;: [QSVR(C=1.0, cache_size=200, epsilon=0.1,\n",
        "                                             max_iter=-1,\n",
-       "                                             quantum_kernel=&lt;squlearn.kernel.matrix.projected_quantum_kernel.ProjectedQuantumKernel object at 0x0000016F9872EF20&gt;,\n",
+       "                                             quantum_kernel=&lt;squlearn.kernel.lowlevel_kernel.projected_quantum_kernel.ProjectedQuantumKernel object at 0x0000016F9872EF20&gt;,\n",
        "                                             shrinking=True, tol=0.001,\n",
        "                                             verbose=False)],\n",
        "                          &#x27;estimator__num_layers&#x27;: [1, 2, 3],\n",
        "                          &#x27;estimator__num_qubits&#x27;: [1, 2, 4]}],\n",
        "             scoring=&#x27;neg_mean_squared_error&#x27;)</pre></div> </div></div><div class=\"sk-parallel\"><div class=\"sk-parallel-item\"><div class=\"sk-item\"><div class=\"sk-label-container\"><div class=\"sk-label fitted sk-toggleable\"><input class=\"sk-toggleable__control sk-hidden--visually\" id=\"sk-estimator-id-2\" type=\"checkbox\" ><label for=\"sk-estimator-id-2\" class=\"sk-toggleable__label fitted sk-toggleable__label-arrow fitted\">estimator: Pipeline</label><div class=\"sk-toggleable__content fitted\"><pre>Pipeline(steps=[(&#x27;scaler&#x27;, StandardScaler()),\n",
        "                (&#x27;estimator&#x27;,\n",
-       "                 QGPR(quantum_kernel=&lt;squlearn.kernel.matrix.fidelity_kernel.FidelityKernel object at 0x0000016F98366C20&gt;))])</pre></div> </div></div><div class=\"sk-serial\"><div class=\"sk-item\"><div class=\"sk-serial\"><div class=\"sk-item\"><div class=\"sk-estimator fitted sk-toggleable\"><input class=\"sk-toggleable__control sk-hidden--visually\" id=\"sk-estimator-id-3\" type=\"checkbox\" ><label for=\"sk-estimator-id-3\" class=\"sk-toggleable__label fitted sk-toggleable__label-arrow fitted\">&nbsp;StandardScaler<a class=\"sk-estimator-doc-link fitted\" rel=\"noreferrer\" target=\"_blank\" href=\"https://scikit-learn.org/1.4/modules/generated/sklearn.preprocessing.StandardScaler.html\">?<span>Documentation for StandardScaler</span></a></label><div class=\"sk-toggleable__content fitted\"><pre>StandardScaler()</pre></div> </div></div><div class=\"sk-item\"><div class=\"sk-estimator fitted sk-toggleable\"><input class=\"sk-toggleable__control sk-hidden--visually\" id=\"sk-estimator-id-4\" type=\"checkbox\" ><label for=\"sk-estimator-id-4\" class=\"sk-toggleable__label fitted sk-toggleable__label-arrow fitted\">QGPR</label><div class=\"sk-toggleable__content fitted\"><pre>QGPR(quantum_kernel=&lt;squlearn.kernel.matrix.fidelity_kernel.FidelityKernel object at 0x0000016F98366C20&gt;)</pre></div> </div></div></div></div></div></div></div></div></div></div></div>"
+       "                 QGPR(quantum_kernel=&lt;squlearn.kernel.lowlevel_kernel.fidelity_kernel.FidelityKernel object at 0x0000016F98366C20&gt;))])</pre></div> </div></div><div class=\"sk-serial\"><div class=\"sk-item\"><div class=\"sk-serial\"><div class=\"sk-item\"><div class=\"sk-estimator fitted sk-toggleable\"><input class=\"sk-toggleable__control sk-hidden--visually\" id=\"sk-estimator-id-3\" type=\"checkbox\" ><label for=\"sk-estimator-id-3\" class=\"sk-toggleable__label fitted sk-toggleable__label-arrow fitted\">&nbsp;StandardScaler<a class=\"sk-estimator-doc-link fitted\" rel=\"noreferrer\" target=\"_blank\" href=\"https://scikit-learn.org/1.4/modules/generated/sklearn.preprocessing.StandardScaler.html\">?<span>Documentation for StandardScaler</span></a></label><div class=\"sk-toggleable__content fitted\"><pre>StandardScaler()</pre></div> </div></div><div class=\"sk-item\"><div class=\"sk-estimator fitted sk-toggleable\"><input class=\"sk-toggleable__control sk-hidden--visually\" id=\"sk-estimator-id-4\" type=\"checkbox\" ><label for=\"sk-estimator-id-4\" class=\"sk-toggleable__label fitted sk-toggleable__label-arrow fitted\">QGPR</label><div class=\"sk-toggleable__content fitted\"><pre>QGPR(quantum_kernel=&lt;squlearn.kernel.lowlevel_kernel.fidelity_kernel.FidelityKernel object at 0x0000016F98366C20&gt;)</pre></div> </div></div></div></div></div></div></div></div></div></div></div>"
       ],
       "text/plain": [
        "GridSearchCV(estimator=Pipeline(steps=[('scaler', StandardScaler()),\n",
        "                                       ('estimator',\n",
-       "                                        QGPR(quantum_kernel=<squlearn.kernel.matrix.fidelity_kernel.FidelityKernel object at 0x0000016F98366C20>))]),\n",
+       "                                        QGPR(quantum_kernel=<squlearn.kernel.lowlevel_kernel.fidelity_kernel.FidelityKernel object at 0x0000016F98366C20>))]),\n",
        "             param_grid=[{'estimator': [QGPR(full_regularization=False,\n",
-       "                                             quantum_kernel=<squlearn.kernel.matrix.fidelity_kernel.FidelityKernel object at 0x0000016F98366C20>)],\n",
+       "                                             quantum_kernel=<squlearn.kernel.lowlevel_kernel.fidelity_kernel.FidelityKernel object at 0x0000016F98366C20>)],\n",
        "                          'estimat...\n",
        "                          'estimator__num_qubits': [1, 2, 4]},\n",
        "                         {'estimator': [QSVR(C=1.0, cache_size=200, epsilon=0.1,\n",
        "                                             max_iter=-1,\n",
-       "                                             quantum_kernel=<squlearn.kernel.matrix.projected_quantum_kernel.ProjectedQuantumKernel object at 0x0000016F9872EF20>,\n",
+       "                                             quantum_kernel=<squlearn.kernel.lowlevel_kernel.projected_quantum_kernel.ProjectedQuantumKernel object at 0x0000016F9872EF20>,\n",
        "                                             shrinking=True, tol=0.001,\n",
        "                                             verbose=False)],\n",
        "                          'estimator__num_layers': [1, 2, 3],\n",
@@ -839,7 +839,7 @@
       "Best Estimator: Pipeline(steps=[('scaler', StandardScaler()),\n",
       "                ('estimator',\n",
       "                 QSVR(C=100.0, cache_size=200, epsilon=0.0001, max_iter=-1,\n",
-      "                      quantum_kernel=<squlearn.kernel.matrix.fidelity_kernel.FidelityKernel object at 0x0000016F9C622EC0>,\n",
+      "                      quantum_kernel=<squlearn.kernel.lowlevel_kernel.fidelity_kernel.FidelityKernel object at 0x0000016F9C622EC0>,\n",
       "                      shrinking=True, tol=0.001, verbose=False))])\n"
      ]
     }

{squlearn-0.8.1 → squlearn-0.8.2}/examples/tutorials/kernel_regression.ipynb

@@ -31,8 +31,8 @@
     "\n",
     "from squlearn import Executor\n",
     "from squlearn.encoding_circuit import ChebyshevPQC\n",
-    "from squlearn.kernel.matrix import ProjectedQuantumKernel, FidelityKernel\n",
-    "from squlearn.kernel.ml import QKRR"
+    "from squlearn.kernel.lowlevel_kernel import ProjectedQuantumKernel, FidelityKernel\n",
+    "from squlearn.kernel import QKRR"
    ]
   },
   {

{squlearn-0.8.1 → squlearn-0.8.2}/examples/tutorials/qnn_ode_solver.ipynb

@@ -72,7 +72,8 @@
     "from squlearn import Executor\n",
     "from squlearn.encoding_circuit import KyriienkoEncodingCircuit\n",
     "from squlearn.observables import SummedPaulis\n",
-    "from squlearn.qnn import QNNRegressor, ODELoss, get_lr_decay\n",
+    "from squlearn.qnn import QNNRegressor, ODELoss\n",
+    "from squlearn.qnn.util import get_lr_decay\n",
     "from squlearn.optimizers import Adam"
    ]
   },

{squlearn-0.8.1 → squlearn-0.8.2}/examples/tutorials/quantum_bayesian_optimization.ipynb

@@ -11,7 +11,7 @@
    "cell_type": "markdown",
    "metadata": {},
    "source": [
-    "In this notebook, we will perform a Bayesian Optimization by using sQUlearn's implementations of Quantum Gaussian Processes [squlearn.kernel.QGPR](https://sQUlearn.github.io/modules/generated/squlearn.kernel.ml.QGPR.html) and Fidelity Kernels [squlearn.kernel.FidelityKernel](https://sQUlearn.github.io/modules/generated/squlearn.kernel.matrix.FidelityKernel.html).\n",
+    "In this notebook, we will perform a Bayesian Optimization by using sQUlearn's implementations of Quantum Gaussian Processes [squlearn.kernel.QGPR](https://sQUlearn.github.io/modules/generated/squlearn.kernel.QGPR.html) and Fidelity Kernels [squlearn.kernel.FidelityKernel](https://sQUlearn.github.io/modules/generated/squlearn.kernel.lowlevel_kernel.FidelityKernel.html).\n",
     "<center>\n",
     "<img src=\"images/quantum_bo.png\" alt=\"quantum_bo\" width=\"800\"/>\n",
     "\n",
@@ -263,8 +263,8 @@
     "\n",
     "from squlearn.util import Executor\n",
     "from squlearn.encoding_circuit import HubregtsenEncodingCircuit\n",
-    "from squlearn.kernel.matrix import FidelityKernel\n",
-    "from squlearn.kernel.ml import QGPR\n",
+    "from squlearn.kernel.lowlevel_kernel import FidelityKernel\n",
+    "from squlearn.kernel import QGPR\n",
     "\n",
     "# set up quantum kernel and qgpr\n",
     "num_qubits = 4\n",
@@ -493,7 +493,7 @@
    "cell_type": "markdown",
    "metadata": {},
    "source": [
-    "For the QGPR the choice of Projected Quantum Kernels [squlearn.kernel.ProjectedQuantumKernel](https://sQUlearn.github.io/modules/generated/squlearn.kernel.matrix.ProjectedQuantumKernel.html) is also possible. \n",
+    "For the QGPR the choice of Projected Quantum Kernels [squlearn.kernel.ProjectedQuantumKernel](https://sQUlearn.github.io/modules/generated/squlearn.kernel.lowlevel_kernel.ProjectedQuantumKernel.html) is also possible. \n",
     "The algorithm can also be applied to more sophisticated problems. E.g., we used it to optimize the price prediction of industrial machinery. The intrested reader can learn more about it from our pre-print [Quantum Gaussian Process Regression for Bayesian Optimization](https://link.springer.com/article/10.1007/s42484-023-00138-9).\n"
    ]
   },

{squlearn-0.8.1 → squlearn-0.8.2}/pyproject.toml

@@ -31,13 +31,13 @@ dependencies = [
     "networkx>=3.0",
     "numpy>=1.20",
     "pennylane>=0.34.0",
-    "qiskit>=0.45.0",
+    "qiskit>=0.45.0,<2",
     "qiskit-aer>=0.12.0",
     "qiskit-algorithms>=0.3.0",
     "qiskit-ibm-runtime>=0.18.0",
     "qiskit-machine-learning>=0.7.0",
     "scipy>=1.8.0",
-    "scikit-learn>=1.2.0,<1.4.2",
+    "scikit-learn>=1.2.0",
     "tqdm>=4.1.0",
 ]
 requires-python = ">=3.9,<3.13"

{squlearn-0.8.1 → squlearn-0.8.2}/src/squlearn/__init__.py

@@ -3,7 +3,7 @@
 from .util import Executor
 from . import observables, encoding_circuit, kernel, optimizers, qnn, util
 
-__version__ = "0.8.1"
+__version__ = "0.8.2"
 
 __all__ = [
     "Executor",

squlearn-0.8.2/src/squlearn/kernel/__init__.py

@@ -0,0 +1,18 @@
+from .lowlevel_kernel import FidelityKernel, ProjectedQuantumKernel, KernelOptimizer
+
+from .qgpr import QGPR
+from .qgpc import QGPC
+from .qkrr import QKRR
+from .qsvr import QSVR
+from .qsvc import QSVC
+
+__all__ = [
+    "FidelityKernel",
+    "ProjectedQuantumKernel",
+    "KernelOptimizer",
+    "QGPC",
+    "QGPR",
+    "QKRR",
+    "QSVR",
+    "QSVC",
+]