Merge pull request #338 from sQUlearn/develop

release 0.8.4

Author: MoritzWillmann

.github/workflows/doc_checks.yml

@@ -12,7 +12,8 @@ jobs:
         - name: Cancel Workflow Action
           uses: styfle/cancel-workflow-action@0.11.0
 
-        - uses: actions/checkout@v2
+        - uses: actions/checkout@v4
+
         - uses: sQUlearn/sphinx-action@master
           with:
             docs-folder: "docs/"

.github/workflows/format.yml

@@ -18,7 +18,7 @@ jobs:
       - name: Install dependencies
         run: pip install black[jupyter]
 
-      - uses: actions/checkout@v2
+      - uses: actions/checkout@v4
 
       - name: Run Black
         run: |

.github/workflows/publish.yml

@@ -21,7 +21,7 @@ jobs:
         - name: Install dependencies
           run: pip install flit
 
-        - uses: actions/checkout@v2
+        - uses: actions/checkout@v4
 
         - name: Build
           run: flit build

.github/workflows/publish_docs.yml

@@ -12,9 +12,9 @@ jobs:
         QISKIT_SETTINGS: ${{github.workspace}}/docs/qiskit_settings.conf
       steps:
           - name: Checkout Source Code
-            uses: actions/checkout@v2
+            uses: actions/checkout@v4
           - name: Checkout GH Pages
-            uses: actions/checkout@v2
+            uses: actions/checkout@v4
             with:
               repository: sQUlearn/squlearn.github.io
               fetch-depth: 0

docs/conf.py

@@ -111,11 +111,12 @@ def setup(app):
     "qiskit-aer": ("https://qiskit.github.io/qiskit-aer/", None),
     "qiskit-ibm-runtime": ("https://docs.quantum.ibm.com/api/qiskit-ibm-runtime/", None),
     "scipy": ("https://docs.scipy.org/doc/scipy/", None),
-    "sklearn": ("https://scikit-learn.org/1.4/", None),
+    "sklearn": ("https://scikit-learn.org/stable/", None),
 }
 
 suppress_warnings = ["myst.header", "config.cache"]
 
 # base URL for sphinx_sitemap
 html_baseurl = "https://squlearn.github.io/"
 sitemap_url_scheme = "{link}"
+sitemap_show_lastmod = False

src/squlearn/__init__.py

@@ -3,7 +3,7 @@
 from .util import Executor
 from . import observables, encoding_circuit, kernel, optimizers, qnn, util
 
-__version__ = "0.8.3"
+__version__ = "0.8.4"
 
 __all__ = [
     "Executor",

src/squlearn/kernel/qgpc.py

@@ -34,6 +34,12 @@ class QGPC(GaussianProcessClassifier):
     --------
         squlearn.kernel.QSVC : Quantum Support Vector classification.
 
+    References
+    ----------
+    .. [RW2006] `Carl E. Rasmussen and Christopher K.I. Williams,
+       "Gaussian Processes for Machine Learning",
+       MIT Press 2006 <https://www.gaussianprocess.org/gpml/chapters/RW.pdf>`_
+
     **Example**
 
     .. code-block::

src/squlearn/qnn/base_qnn.py

@@ -355,7 +355,6 @@ def _validate_input(self, X, y, incremental, reset):
             y,
             accept_sparse=["csr", "csc"],
             multi_output=True,
-            y_numeric=True,
             reset=reset,
         )
         if y.ndim == 2 and y.shape[1] == 1:

tests/qnn/test_training.py

@@ -2,6 +2,8 @@
 
 import numpy as np
 import pytest
+from packaging import version
+from scipy import __version__ as scipy_version
 
 from squlearn import Executor
 from squlearn.observables import SummedPaulis, SinglePauli
@@ -147,8 +149,19 @@ def _build_qnn_setup(self, pqc, ob, test_case: str):
     def test_zero_param_ob(self, test_case):
         """Test for zero number of parameters in observable."""
 
+        # scipy changed their slsqp implementation in 1.16.0 and we don't want to limit the user to
+        # a specific scipy
+        if version.parse(scipy_version) < version.parse("1.16.0"):
+            regressor_result = np.array(
+                [0.11503425, 0.10989764, 0.11377155, 0.12618358, 0.14544058]
+            )
+        else:
+            regressor_result = np.array(
+                [0.11080395, 0.10440662, 0.10877287, 0.12350483, 0.14668292]
+            )
+
         assert_dict = {
-            "QNNRegressor": np.array([0.11503425, 0.10989764, 0.11377155, 0.12618358, 0.14544058]),
+            "QNNRegressor": regressor_result,
             "QNNClassifier": np.array([0, 0, 0, 0, 0]),
         }
         pqc = ChebyshevPQC(2, 1, 1)