Make tests compatible with SciPy 1.16 (#966)

edoaltamura · OkuyanBoga · web-flow · commit 8fce26531e55 · 2025-09-03T15:11:11.000+01:00
* Set scipy&gt;=1.16

* Release pinned scipy and change x0 for cobyla

* Enforces 1D arrays in all jac modes as per scipy 1.16

* Fix formatting

* Fix copyright

---------

Co-authored-by: M. Emre Sahin &lt;40424147+OkuyanBoga@users.noreply.github.com&gt;
diff --git a/docs/lowercase_filter.py b/docs/lowercase_filter.py
@@ -1,6 +1,6 @@
 # This code is part of a Qiskit project.
 #
-# (C) Copyright IBM 2021, 2023.
+# (C) Copyright IBM 2021, 2025.
 #
 # This code is licensed under the Apache License, Version 2.0. You may
 # obtain a copy of this license in the LICENSE.txt file in the root directory
@@ -10,7 +10,7 @@
 # copyright notice, and modified files need to carry a notice indicating
 # that they have been altered from the originals.
 
-""" Implements a Lower Case Filter for Sphinx spelling """
+"""Implements a Lower Case Filter for Sphinx spelling"""
 
 from enchant import tokenize
 
diff --git a/qiskit_machine_learning/algorithms/classifiers/__init__.py b/qiskit_machine_learning/algorithms/classifiers/__init__.py
@@ -1,6 +1,6 @@
 # This code is part of a Qiskit project.
 #
-# (C) Copyright IBM 2020, 2023.
+# (C) Copyright IBM 2020, 2025.
 #
 # This code is licensed under the Apache License, Version 2.0. You may
 # obtain a copy of this license in the LICENSE.txt file in the root directory
@@ -10,7 +10,7 @@
 # copyright notice, and modified files need to carry a notice indicating
 # that they have been altered from the originals.
 
-""" Classifiers Package """
+"""Classifiers Package"""
 
 from .neural_network_classifier import NeuralNetworkClassifier
 from .qsvc import QSVC
diff --git a/qiskit_machine_learning/algorithms/inference/__init__.py b/qiskit_machine_learning/algorithms/inference/__init__.py
@@ -1,6 +1,6 @@
 # This code is part of a Qiskit project.
 #
-# (C) Copyright IBM 2023, 2024.
+# (C) Copyright IBM 2023, 2025.
 #
 # This code is licensed under the Apache License, Version 2.0. You may
 # obtain a copy of this license in the LICENSE.txt file in the root directory
@@ -10,7 +10,7 @@
 # copyright notice, and modified files need to carry a notice indicating
 # that they have been altered from the originals.
 
-""" Inference Package """
+"""Inference Package"""
 
 
 from .qbayesian import QBayesian
diff --git a/qiskit_machine_learning/algorithms/regressors/__init__.py b/qiskit_machine_learning/algorithms/regressors/__init__.py
@@ -1,6 +1,6 @@
 # This code is part of a Qiskit project.
 #
-# (C) Copyright IBM 2021, 2023.
+# (C) Copyright IBM 2021, 2025.
 #
 # This code is licensed under the Apache License, Version 2.0. You may
 # obtain a copy of this license in the LICENSE.txt file in the root directory
@@ -10,7 +10,7 @@
 # copyright notice, and modified files need to carry a notice indicating
 # that they have been altered from the originals.
 
-""" Regressors Package"""
+"""Regressors Package"""
 
 from .qsvr import QSVR
 from .neural_network_regressor import NeuralNetworkRegressor
diff --git a/qiskit_machine_learning/exceptions.py b/qiskit_machine_learning/exceptions.py
@@ -1,6 +1,6 @@
 # This code is part of a Qiskit project.
 #
-# (C) Copyright IBM 2021, 2024.
+# (C) Copyright IBM 2021, 2025.
 #
 # This code is licensed under the Apache License, Version 2.0. You may
 # obtain a copy of this license in the LICENSE.txt file in the root directory
@@ -10,7 +10,7 @@
 # copyright notice, and modified files need to carry a notice indicating
 # that they have been altered from the originals.
 
-""" Machine Learning Exception """
+"""Machine Learning Exception"""
 
 from qiskit.exceptions import QiskitError
 
diff --git a/qiskit_machine_learning/optimizers/optimizer_utils/__init__.py b/qiskit_machine_learning/optimizers/optimizer_utils/__init__.py
@@ -1,6 +1,6 @@
 # This code is part of a Qiskit project.
 #
-# (C) Copyright IBM 2022, 2024.
+# (C) Copyright IBM 2022, 2025.
 #
 # This code is licensed under the Apache License, Version 2.0. You may
 # obtain a copy of this license in the LICENSE.txt file in the root directory
@@ -9,7 +9,7 @@
 # Any modifications or derivative works of this code must retain this
 # copyright notice, and modified files need to carry a notice indicating
 # that they have been altered from the originals.
-""" Supplementary tools for optimizers. """
+"""Supplementary tools for optimizers."""
 
 from .learning_rate import LearningRate
 
diff --git a/qiskit_machine_learning/optimizers/scipy_optimizer.py b/qiskit_machine_learning/optimizers/scipy_optimizer.py
@@ -1,6 +1,6 @@
 # This code is part of a Qiskit project.
 #
-# (C) Copyright IBM 2018, 2024.
+# (C) Copyright IBM 2018, 2025.
 #
 # This code is licensed under the Apache License, Version 2.0. You may
 # obtain a copy of this license in the LICENSE.txt file in the root directory
@@ -133,9 +133,8 @@ def minimize(
                 Optimizer.gradient_num_diff, (fun, epsilon, self._max_evals_grouped)
             )
 
-        # Workaround for L_BFGS_B because it does not accept np.ndarray.
-        # See https://github.com/Qiskit/qiskit/pull/6373.
-        if jac is not None and self._method == "l-bfgs-b":
+        # Ensure gradient is 1D for scipy>=1.16
+        if jac is not None:
             jac = self._wrap_gradient(jac)
 
         # Starting in scipy 1.9.0 maxiter is deprecated and maxfun (added in 1.5.0)
@@ -170,8 +169,8 @@ def minimize(
     def _wrap_gradient(gradient_function):
         def wrapped_gradient(x):
             gradient = gradient_function(x)
-            if isinstance(gradient, np.ndarray):
-                return gradient.tolist()
+            # Ensure gradient is a 1D numpy array
+            gradient = np.asarray(gradient).ravel()
             return gradient
 
         return wrapped_gradient
diff --git a/qiskit_machine_learning/utils/loss_functions/kernel_loss_functions.py b/qiskit_machine_learning/utils/loss_functions/kernel_loss_functions.py
@@ -1,6 +1,6 @@
 # This code is part of a Qiskit project.
 #
-# (C) Copyright IBM 2021, 2023.
+# (C) Copyright IBM 2021, 2025.
 #
 # This code is licensed under the Apache License, Version 2.0. You may
 # obtain a copy of this license in the LICENSE.txt file in the root directory
@@ -10,7 +10,7 @@
 # copyright notice, and modified files need to carry a notice indicating
 # that they have been altered from the originals.
 
-""" Kernel Loss utilities """
+"""Kernel Loss utilities"""
 
 from abc import ABC, abstractmethod
 from typing import Sequence
diff --git a/qiskit_machine_learning/utils/loss_functions/loss_functions.py b/qiskit_machine_learning/utils/loss_functions/loss_functions.py
@@ -1,6 +1,6 @@
 # This code is part of a Qiskit project.
 #
-# (C) Copyright IBM 2021, 2023.
+# (C) Copyright IBM 2021, 2025.
 #
 # This code is licensed under the Apache License, Version 2.0. You may
 # obtain a copy of this license in the LICENSE.txt file in the root directory
@@ -10,7 +10,7 @@
 # copyright notice, and modified files need to carry a notice indicating
 # that they have been altered from the originals.
 
-""" Loss utilities """
+"""Loss utilities"""
 
 from abc import ABC, abstractmethod
 
diff --git a/requirements.txt b/requirements.txt
@@ -1,6 +1,6 @@
 qiskit>=1.0,<2.0
 numpy>=2.0
-scipy>=1.4,<1.16
+scipy>=1.4
 scikit-learn>=1.2
 setuptools>=40.1
 dill>=0.3.4
diff --git a/test/__init__.py b/test/__init__.py
@@ -1,6 +1,6 @@
 # This code is part of a Qiskit project.
 #
-# (C) Copyright IBM 2020, 2024.
+# (C) Copyright IBM 2020, 2025.
 #
 # This code is licensed under the Apache License, Version 2.0. You may
 # obtain a copy of this license in the LICENSE.txt file in the root directory
@@ -10,7 +10,7 @@
 # copyright notice, and modified files need to carry a notice indicating
 # that they have been altered from the originals.
 
-""" ML test packages """
+"""ML test packages"""
 
 from .machine_learning_test_case import QiskitMachineLearningTestCase, gpu
 from .algorithms_test_case import QiskitAlgorithmsTestCase
diff --git a/test/algorithms/classifiers/test_fidelity_quantum_kernel_pegasos_qsvc.py b/test/algorithms/classifiers/test_fidelity_quantum_kernel_pegasos_qsvc.py
@@ -10,7 +10,7 @@
 # copyright notice, and modified files need to carry a notice indicating
 # that they have been altered from the originals.
 
-""" Test Pegasos QSVC """
+"""Test Pegasos QSVC"""
 import os
 import tempfile
 import unittest
diff --git a/test/algorithms/classifiers/test_neural_network_classifier.py b/test/algorithms/classifiers/test_neural_network_classifier.py
@@ -9,7 +9,7 @@
 # Any modifications or derivative works of this code must retain this
 # copyright notice, and modified files need to carry a notice indicating
 # that they have been altered from the originals.
-""" Test Neural Network Classifier """
+"""Test Neural Network Classifier"""
 from __future__ import annotations
 
 import itertools
diff --git a/test/algorithms/classifiers/test_pegasos_qsvc.py b/test/algorithms/classifiers/test_pegasos_qsvc.py
@@ -10,7 +10,7 @@
 # copyright notice, and modified files need to carry a notice indicating
 # that they have been altered from the originals.
 
-""" Test Pegasos QSVC """
+"""Test Pegasos QSVC"""
 import os
 import tempfile
 import unittest
diff --git a/test/algorithms/classifiers/test_qsvc.py b/test/algorithms/classifiers/test_qsvc.py
@@ -10,7 +10,7 @@
 # copyright notice, and modified files need to carry a notice indicating
 # that they have been altered from the originals.
 
-""" Test QSVC """
+"""Test QSVC"""
 import os
 import tempfile
 import unittest
diff --git a/test/algorithms/classifiers/test_vqc.py b/test/algorithms/classifiers/test_vqc.py
@@ -10,7 +10,7 @@
 # copyright notice, and modified files need to carry a notice indicating
 # that they have been altered from the originals.
 
-""" Test Neural Network Classifier """
+"""Test Neural Network Classifier"""
 
 from __future__ import annotations
 
diff --git a/test/algorithms/inference/test_qbayesian.py b/test/algorithms/inference/test_qbayesian.py
@@ -10,7 +10,7 @@
 # copyright notice, and modified files need to carry a notice indicating
 # that they have been altered from the originals.
 
-""" Test Quantum Bayesian Inference """
+"""Test Quantum Bayesian Inference"""
 
 import unittest
 from test import QiskitMachineLearningTestCase
diff --git a/test/algorithms/regressors/test_neural_network_regressor.py b/test/algorithms/regressors/test_neural_network_regressor.py
@@ -9,7 +9,7 @@
 # Any modifications or derivative works of this code must retain this
 # copyright notice, and modified files need to carry a notice indicating
 # that they have been altered from the originals.
-""" Test Neural Network Regressor """
+"""Test Neural Network Regressor"""
 from __future__ import annotations
 
 import itertools
diff --git a/test/algorithms/regressors/test_vqr.py b/test/algorithms/regressors/test_vqr.py
@@ -9,7 +9,7 @@
 # Any modifications or derivative works of this code must retain this
 # copyright notice, and modified files need to carry a notice indicating
 # that they have been altered from the originals.
-""" Test Neural Network Regressor with EstimatorQNN."""
+"""Test Neural Network Regressor with EstimatorQNN."""
 
 import unittest
 from test import QiskitMachineLearningTestCase
diff --git a/test/datasets/__init__.py b/test/datasets/__init__.py
@@ -1,6 +1,6 @@
 # This code is part of a Qiskit project.
 #
-# (C) Copyright IBM 2021, 2023.
+# (C) Copyright IBM 2021, 2025.
 #
 # This code is licensed under the Apache License, Version 2.0. You may
 # obtain a copy of this license in the LICENSE.txt file in the root directory
@@ -10,4 +10,4 @@
 # copyright notice, and modified files need to carry a notice indicating
 # that they have been altered from the originals.
 
-""" Test datasets module """
+"""Test datasets module"""
diff --git a/test/datasets/test_ad_hoc_data.py b/test/datasets/test_ad_hoc_data.py
@@ -10,7 +10,7 @@
 # copyright notice, and modified files need to carry a notice indicating
 # that they have been altered from the originals.
 
-""" Test Ad Hoc Data """
+"""Test Ad Hoc Data"""
 
 from test import QiskitMachineLearningTestCase
 
diff --git a/test/datasets/test_entanglement_concentration.py b/test/datasets/test_entanglement_concentration.py
@@ -10,7 +10,7 @@
 # copyright notice, and modified files need to carry a notice indicating
 # that they have been altered from the originals.
 
-""" Test Ad Hoc Data """
+"""Test Ad Hoc Data"""
 
 from test import QiskitMachineLearningTestCase
 
diff --git a/test/kernels/algorithms/test_fidelity_qkernel_trainer.py b/test/kernels/algorithms/test_fidelity_qkernel_trainer.py
@@ -10,7 +10,7 @@
 # copyright notice, and modified files need to carry a notice indicating
 # that they have been altered from the originals.
 
-""" Test QuantumKernelTrainer """
+"""Test QuantumKernelTrainer"""
 from __future__ import annotations
 
 import unittest
diff --git a/test/kernels/test_trainable_fidelity_qkernel.py b/test/kernels/test_trainable_fidelity_qkernel.py
@@ -9,7 +9,7 @@
 # Any modifications or derivative works of this code must retain this
 # copyright notice, and modified files need to carry a notice indicating
 # that they have been altered from the originals.
-""" Test trainable quantum kernels using primitives """
+"""Test trainable quantum kernels using primitives"""
 
 import itertools
 import unittest
diff --git a/test/neural_networks/test_effective_dimension.py b/test/neural_networks/test_effective_dimension.py
@@ -9,7 +9,7 @@
 # Any modifications or derivative works of this code must retain this
 # copyright notice, and modified files need to carry a notice indicating
 # that they have been altered from the originals.
-""" Unit Tests for Effective Dimension Algorithm """
+"""Unit Tests for Effective Dimension Algorithm"""
 
 import unittest
 
diff --git a/test/neural_networks/test_estimator_qnn_v1.py b/test/neural_networks/test_estimator_qnn_v1.py
@@ -10,7 +10,7 @@
 # copyright notice, and modified files need to carry a notice indicating
 # that they have been altered from the originals.
 
-""" Test EstimatorQNN """
+"""Test EstimatorQNN"""
 
 import unittest
 
diff --git a/test/neural_networks/test_estimator_qnn_v2.py b/test/neural_networks/test_estimator_qnn_v2.py
@@ -10,7 +10,7 @@
 # copyright notice, and modified files need to carry a notice indicating
 # that they have been altered from the originals.
 
-""" Test EstimatorQNN """
+"""Test EstimatorQNN"""
 
 import unittest
 
diff --git a/test/optimizers/test_optimizers.py b/test/optimizers/test_optimizers.py
@@ -72,7 +72,7 @@ def run_optimizer(
             grad: Whether to pass the gradient function as input.
             bounds: Optimizer bounds.
         """
-        x_0 = np.asarray([1.3, 0.7, 0.8, 1.9, 1.2])
+        x_0 = np.asarray([1.13, 0.7, 0.8, 1.9, 1.2])
         jac = rosen_der if grad else None
 
         res = optimizer.minimize(rosen, x_0, jac, bounds)
@@ -98,7 +98,10 @@ def test_gradient_descent(self):
         self.run_optimizer(optimizer, grad=True, max_nfev=100000)
 
     def test_cobyla(self):
-        """cobyla test"""
+        """cobyla test
+
+        Note: very slow (27.69s)
+        """
         optimizer = COBYLA(maxiter=100000, tol=1e-06)
         self.run_optimizer(optimizer, max_nfev=100000)
 
diff --git a/tools/check_copyright.py b/tools/check_copyright.py
@@ -1,6 +1,6 @@
 # This code is part of a Qiskit project.
 #
-# (C) Copyright IBM 2020, 2023.
+# (C) Copyright IBM 2020, 2025.
 #
 # This code is licensed under the Apache License, Version 2.0. You may
 # obtain a copy of this license in the LICENSE.txt file in the root directory
@@ -10,7 +10,7 @@
 # copyright notice, and modified files need to carry a notice indicating
 # that they have been altered from the originals.
 
-""" Fix copyright year in header """
+"""Fix copyright year in header"""
 
 from typing import Tuple, Union, List
 import builtins
diff --git a/tools/extract_deprecation.py b/tools/extract_deprecation.py
@@ -1,6 +1,6 @@
 # This code is part of a Qiskit project.
 #
-# (C) Copyright IBM 2021, 2023.
+# (C) Copyright IBM 2021, 2025.
 #
 # This code is licensed under the Apache License, Version 2.0. You may
 # obtain a copy of this license in the LICENSE.txt file in the root directory
@@ -10,7 +10,7 @@
 # copyright notice, and modified files need to carry a notice indicating
 # that they have been altered from the originals.
 
-""" Extract deprecation messages from input """
+"""Extract deprecation messages from input"""
 
 from typing import List
 import sys
diff --git a/tools/generate_spell_dict.py b/tools/generate_spell_dict.py

Original file line number	Diff line number	Diff line change
`@@ -1,6 +1,6 @@`
`1`	`1`	`# This code is part of a Qiskit project.`
`2`	`2`	`#`
`3`		`-# (C) Copyright IBM 2021, 2023.`
	`3`	`+# (C) Copyright IBM 2021, 2025.`
`4`	`4`	`#`
`5`	`5`	`# This code is licensed under the Apache License, Version 2.0. You may`
`6`	`6`	`# obtain a copy of this license in the LICENSE.txt file in the root directory`
`@@ -10,7 +10,7 @@`
`10`	`10`	`# copyright notice, and modified files need to carry a notice indicating`
`11`	`11`	`# that they have been altered from the originals.`
`12`	`12`
`13`		`-""" Implements a Lower Case Filter for Sphinx spelling """`
	`13`	`+"""Implements a Lower Case Filter for Sphinx spelling"""`
`14`	`14`
`15`	`15`	`from enchant import tokenize`
`16`	`16`
Original file line number	Diff line number	Diff line change
`@@ -1,6 +1,6 @@`
`1`	`1`	`# This code is part of a Qiskit project.`
`2`	`2`	`#`
`3`		`-# (C) Copyright IBM 2020, 2023.`
	`3`	`+# (C) Copyright IBM 2020, 2025.`
`4`	`4`	`#`
`5`	`5`	`# This code is licensed under the Apache License, Version 2.0. You may`
`6`	`6`	`# obtain a copy of this license in the LICENSE.txt file in the root directory`
`@@ -10,7 +10,7 @@`
`10`	`10`	`# copyright notice, and modified files need to carry a notice indicating`
`11`	`11`	`# that they have been altered from the originals.`
`12`	`12`
`13`		`-""" Classifiers Package """`
	`13`	`+"""Classifiers Package"""`
`14`	`14`
`15`	`15`	`from .neural_network_classifier import NeuralNetworkClassifier`
`16`	`16`	`from .qsvc import QSVC`
Original file line number	Diff line number	Diff line change
`@@ -1,6 +1,6 @@`
`1`	`1`	`# This code is part of a Qiskit project.`
`2`	`2`	`#`
`3`		`-# (C) Copyright IBM 2023, 2024.`
	`3`	`+# (C) Copyright IBM 2023, 2025.`
`4`	`4`	`#`
`5`	`5`	`# This code is licensed under the Apache License, Version 2.0. You may`
`6`	`6`	`# obtain a copy of this license in the LICENSE.txt file in the root directory`
`@@ -10,7 +10,7 @@`
`10`	`10`	`# copyright notice, and modified files need to carry a notice indicating`
`11`	`11`	`# that they have been altered from the originals.`
`12`	`12`
`13`		`-""" Inference Package """`
	`13`	`+"""Inference Package"""`
`14`	`14`
`15`	`15`
`16`	`16`	`from .qbayesian import QBayesian`
Original file line number	Diff line number	Diff line change
`@@ -1,6 +1,6 @@`
`1`	`1`	`# This code is part of a Qiskit project.`
`2`	`2`	`#`
`3`		`-# (C) Copyright IBM 2021, 2024.`
	`3`	`+# (C) Copyright IBM 2021, 2025.`
`4`	`4`	`#`
`5`	`5`	`# This code is licensed under the Apache License, Version 2.0. You may`
`6`	`6`	`# obtain a copy of this license in the LICENSE.txt file in the root directory`
`@@ -10,7 +10,7 @@`
`10`	`10`	`# copyright notice, and modified files need to carry a notice indicating`
`11`	`11`	`# that they have been altered from the originals.`
`12`	`12`
`13`		`-""" Machine Learning Exception """`
	`13`	`+"""Machine Learning Exception"""`
`14`	`14`
`15`	`15`	`from qiskit.exceptions import QiskitError`
`16`	`16`
Original file line number	Diff line number	Diff line change
`@@ -1,6 +1,6 @@`
`1`	`1`	`# This code is part of a Qiskit project.`
`2`	`2`	`#`
`3`		`-# (C) Copyright IBM 2022, 2024.`
	`3`	`+# (C) Copyright IBM 2022, 2025.`
`4`	`4`	`#`
`5`	`5`	`# This code is licensed under the Apache License, Version 2.0. You may`
`6`	`6`	`# obtain a copy of this license in the LICENSE.txt file in the root directory`
`@@ -9,7 +9,7 @@`
`9`	`9`	`# Any modifications or derivative works of this code must retain this`
`10`	`10`	`# copyright notice, and modified files need to carry a notice indicating`
`11`	`11`	`# that they have been altered from the originals.`
`12`		`-""" Supplementary tools for optimizers. """`
	`12`	`+"""Supplementary tools for optimizers."""`
`13`	`13`
`14`	`14`	`from .learning_rate import LearningRate`
`15`	`15`