squlearn 0.2.0__tar.gz → 0.3.0__tar.gz

squlearn-0.3.0/.github/CODE_OF_CONDUCT.md

@@ -0,0 +1,134 @@
+
+# Contributor Covenant Code of Conduct
+
+## Our Pledge
+
+We as members, contributors, and leaders pledge to make participation in our
+community a harassment-free experience for everyone, regardless of age, body
+size, visible or invisible disability, ethnicity, sex characteristics, gender
+identity and expression, level of experience, education, socio-economic status,
+nationality, personal appearance, race, caste, color, religion, or sexual
+identity and orientation.
+
+We pledge to act and interact in ways that contribute to an open, welcoming,
+diverse, inclusive, and healthy community.
+
+## Our Standards
+
+Examples of behavior that contributes to a positive environment for our
+community include:
+
+* Demonstrating empathy and kindness toward other people
+* Being respectful of differing opinions, viewpoints, and experiences
+* Giving and gracefully accepting constructive feedback
+* Accepting responsibility and apologizing to those affected by our mistakes,
+  and learning from the experience
+* Focusing on what is best not just for us as individuals, but for the overall
+  community
+
+Examples of unacceptable behavior include:
+
+* The use of sexualized language or imagery, and sexual attention or advances of
+  any kind
+* Trolling, insulting or derogatory comments, and personal or political attacks
+* Public or private harassment
+* Publishing others' private information, such as a physical or email address,
+  without their explicit permission
+* Other conduct which could reasonably be considered inappropriate in a
+  professional setting
+
+## Enforcement Responsibilities
+
+Community leaders are responsible for clarifying and enforcing our standards of
+acceptable behavior and will take appropriate and fair corrective action in
+response to any behavior that they deem inappropriate, threatening, offensive,
+or harmful.
+
+Community leaders have the right and responsibility to remove, edit, or reject
+comments, commits, code, wiki edits, issues, and other contributions that are
+not aligned to this Code of Conduct, and will communicate reasons for moderation
+decisions when appropriate.
+
+## Scope
+
+This Code of Conduct applies within all community spaces, and also applies when
+an individual is officially representing the community in public spaces.
+Examples of representing our community include using an official e-mail address,
+posting via an official social media account, or acting as an appointed
+representative at an online or offline event.
+
+## Enforcement
+
+Instances of abusive, harassing, or otherwise unacceptable behavior may be
+reported to the community leaders responsible for enforcement at
+[squlearn@gmail.com](mailto:squlearn@gmail.com).
+All complaints will be reviewed and investigated promptly and fairly.
+
+All community leaders are obligated to respect the privacy and security of the
+reporter of any incident.
+
+## Enforcement Guidelines
+
+Community leaders will follow these Community Impact Guidelines in determining
+the consequences for any action they deem in violation of this Code of Conduct:
+
+### 1. Correction
+
+**Community Impact**: Use of inappropriate language or other behavior deemed
+unprofessional or unwelcome in the community.
+
+**Consequence**: A private, written warning from community leaders, providing
+clarity around the nature of the violation and an explanation of why the
+behavior was inappropriate. A public apology may be requested.
+
+### 2. Warning
+
+**Community Impact**: A violation through a single incident or series of
+actions.
+
+**Consequence**: A warning with consequences for continued behavior. No
+interaction with the people involved, including unsolicited interaction with
+those enforcing the Code of Conduct, for a specified period of time. This
+includes avoiding interactions in community spaces as well as external channels
+like social media. Violating these terms may lead to a temporary or permanent
+ban.
+
+### 3. Temporary Ban
+
+**Community Impact**: A serious violation of community standards, including
+sustained inappropriate behavior.
+
+**Consequence**: A temporary ban from any sort of interaction or public
+communication with the community for a specified period of time. No public or
+private interaction with the people involved, including unsolicited interaction
+with those enforcing the Code of Conduct, is allowed during this period.
+Violating these terms may lead to a permanent ban.
+
+### 4. Permanent Ban
+
+**Community Impact**: Demonstrating a pattern of violation of community
+standards, including sustained inappropriate behavior, harassment of an
+individual, or aggression toward or disparagement of classes of individuals.
+
+**Consequence**: A permanent ban from any sort of public interaction within the
+community.
+
+## Attribution
+
+This Code of Conduct is adapted from the [Contributor Covenant][homepage],
+version 2.1, available at
+[https://www.contributor-covenant.org/version/2/1/code_of_conduct.html][v2.1].
+
+Community Impact Guidelines were inspired by
+[Mozilla's code of conduct enforcement ladder][Mozilla CoC].
+
+For answers to common questions about this code of conduct, see the FAQ at
+[https://www.contributor-covenant.org/faq][FAQ]. Translations are available at
+[https://www.contributor-covenant.org/translations][translations].
+
+[homepage]: https://www.contributor-covenant.org
+[v2.1]: https://www.contributor-covenant.org/version/2/1/code_of_conduct.html
+[Mozilla CoC]: https://github.com/mozilla/diversity
+[FAQ]: https://www.contributor-covenant.org/faq
+[translations]: https://www.contributor-covenant.org/translations
+

{squlearn-0.2.0 → squlearn-0.3.0}/.github/CONTRIBUTING.md

@@ -10,6 +10,8 @@ git checkout develop
 pip install -e .
 ```
 
+> Note that editable installing as above might require an updated version of pip `pip install pip --upgrade` 
+
 ## Devtools
 Install the recommended tools with
 ```bash

squlearn-0.3.0/.github/workflows/doc_checks.yml

@@ -0,0 +1,18 @@
+name: Documentation check
+on:
+- pull_request
+
+jobs:
+  doc_checks:
+    runs-on: ubuntu-latest
+
+    steps:
+        - name: Cancel Workflow Action
+          uses: styfle/cancel-workflow-action@0.11.0
+
+        - uses: actions/checkout@v2
+        - uses: sQUlearn/sphinx-action@master
+          with:
+            docs-folder: "docs/"
+            pre-build-command: "pip3 install ."
+            build-command: "sphinx-build -b html . _build -W --keep-going"

{squlearn-0.2.0 → squlearn-0.3.0}/.github/workflows/format.yml

@@ -23,4 +23,5 @@ jobs:
       - name: Run Black
         run: |
           black -l 99 src --check
+          black -l 99 tests --check
           black -l 99 --ipynb examples --check

{squlearn-0.2.0 → squlearn-0.3.0}/.github/workflows/publish.yml

@@ -27,4 +27,4 @@ jobs:
           run: flit build
 
         - name: Publish package distributions to PyPI
-          uses: pypa/gh-action-pypi-publish@release/v1
+          uses: pypa/gh-action-pypi-publish@release/v1

squlearn-0.3.0/.github/workflows/publish_docs.yml

@@ -0,0 +1,37 @@
+name: Publish to GH Pages
+on:
+  release:
+    types: [published]
+
+jobs:
+    publish-pages:
+      name: Publish to GH Pages
+      runs-on: ubuntu-latest
+      steps:
+          - name: Checkout Source Code
+            uses: actions/checkout@v2
+          - name: Checkout GH Pages
+            uses: actions/checkout@v2
+            with:
+              repository: sQUlearn/squlearn.github.io
+              path: "docs/_build"
+              token: ${{ secrets.GITHUB_TOKEN }}
+          - name: Build Docs
+            uses: sQUlearn/sphinx-action@master
+            with:
+              docs-folder: "docs/"
+              pre-build-command: "pip3 install ."
+              build-command: "sphinx-build -b html . _build -W"
+          - name: Commit Files
+            run: |
+              cd docs/_build
+              git config --global user.email "github-actions[bot]@users.noreply.github.com"
+              git config --global user.name "github-actions[bot]"
+              git add .
+              git commit -m "update documentation ${{ github.event.release.tag_name }}"
+              git tag -a "${{ github.event.release.tag_name }}" -m "${{ github.event.release.name}}"
+          - name: Push Changes
+            uses: ad-m/github-push-action@master
+            with:
+              directory: docs/_build
+              repository: sQUlearn/squlearn.github.io

{squlearn-0.2.0 → squlearn-0.3.0}/.gitignore

@@ -71,6 +71,7 @@ instance/
 # Sphinx documentation
 docs/_build/
 docs/modules/generated/*
+docs/examples/images
 
 # PyBuilder
 .pybuilder/

{squlearn-0.2.0 → squlearn-0.3.0}/PKG-INFO

@@ -1,7 +1,7 @@
 Metadata-Version: 2.1
 Name: squlearn
-Version: 0.2.0
-Summary: A library for quantum machine learning following the sklearn standard.
+Version: 0.3.0
+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>
 Maintainer-email: David Kreplin <david.kreplin@ipa.fraunhofer.de>, Moritz Willmann <moritz.willmann@ipa.fraunhofer.de>
@@ -14,15 +14,20 @@ Requires-Dist: numpy>=1.17
 Requires-Dist: scipy>=1.5
 Requires-Dist: scikit-learn>=1.0
 Requires-Dist: qiskit>=0.42.1
+Requires-Dist: qiskit-aer>=0.12.0
 Requires-Dist: qiskit-machine-learning>=0.6.0
 Requires-Dist: qiskit-ibm-runtime>=0.9
 Requires-Dist: dill>=0.3
-Requires-Dist: pylint ; extra == "dev"
 Requires-Dist: black ; extra == "dev"
+Requires-Dist: flit ; extra == "dev"
+Requires-Dist: myst-parser ; extra == "dev"
+Requires-Dist: nbsphinx ; extra == "dev"
+Requires-Dist: nbsphinx_link ; extra == "dev"
+Requires-Dist: pylint ; extra == "dev"
 Requires-Dist: pytest ; extra == "dev"
 Requires-Dist: sphinx ; extra == "dev"
+Requires-Dist: sphinxcontrib-spelling ; extra == "dev"
 Requires-Dist: sphinx-rtd-theme ; extra == "dev"
-Requires-Dist: flit ; extra == "dev"
 Requires-Dist: jupyter ; extra == "examples"
 Requires-Dist: matplotlib>=3.5 ; extra == "examples"
 Requires-Dist: pylatexenc>=2.10 ; extra == "examples"
@@ -30,9 +35,21 @@ Project-URL: Homepage, https://github.com/sQUlearn/squlearn
 Provides-Extra: dev
 Provides-Extra: examples
 
-# sQUlearn 0.2.0
-
-**_Note:_** This is an early access version! Not everything that is described is already working 100%.
+# sQUlearn 0.3.0
+
+sQUlearn is a novel Python package introducing Quantum Machine Learning (QML) capabilities to 
+traditional machine learning pipelines via a *high-level / low-level* design approach. The package
+features an array of algorithms including Quantum Support Vector Machines, Quantum Gaussian Processes,
+Quantum Kernel Ridge Regression and Quantum Neural Networks (QNN), all designed to
+seamlessly integrate with scikit-learn. The QNN engine facilitates efficient gradient computation and
+automated training with non-linear parametrized circuits. Users can further customize their QNN
+models, enhancing flexibility and potential outcomes. sQUlearn's kernel engines are designed to
+meet various needs, with fidelity kernels and projected quantum kernels, the latter leveraging
+the QNN engine for optimization. A feature map tool allows for efficient layer-wise design
+based on strings, encouraging innovation beyond standard implementations. Lastly, backend integration 
+with IBM quantum computers is handled with a custom execution engine that optimizes session management
+on quantum backends and simulators, ensuring optimal use
+of quantum resources and creating an accessible environment for QML experimentation.
 
 ## Prerequisites
 
@@ -61,7 +78,7 @@ pip install .[examples]
 ```
 
 ## Contribution
-Thanks for considering to contribute to sQUlearn! Please read our [contribution guidelines](./.github/CONTRIBUTING.md) before you submit a pull request.
+Thanks for considering to contribute to sQUlearn! Please read our [contribution guidelines](https://github.com/sQUlearn/squlearn/blob/main/.github/CONTRIBUTING.md) before you submit a pull request.
 
 ---
 
@@ -72,7 +89,7 @@ Thanks for considering to contribute to sQUlearn! Please read our [contribution
 ## Imprint
 This project is maintained by the quantum computing group at the Fraunhofer Institute for Manufacturing Engineering and Automation IPA. It started as a collection of implementations of quantum machine learning methods.
 
-http://www.ipa.fraunhofer.de/quantum
+[http://www.ipa.fraunhofer.de/quantum](http://www.ipa.fraunhofer.de/quantum)
 
 ---
 

squlearn-0.3.0/README.md

@@ -0,0 +1,57 @@
+# sQUlearn 0.3.0
+
+sQUlearn is a novel Python package introducing Quantum Machine Learning (QML) capabilities to 
+traditional machine learning pipelines via a *high-level / low-level* design approach. The package
+features an array of algorithms including Quantum Support Vector Machines, Quantum Gaussian Processes,
+Quantum Kernel Ridge Regression and Quantum Neural Networks (QNN), all designed to
+seamlessly integrate with scikit-learn. The QNN engine facilitates efficient gradient computation and
+automated training with non-linear parametrized circuits. Users can further customize their QNN
+models, enhancing flexibility and potential outcomes. sQUlearn's kernel engines are designed to
+meet various needs, with fidelity kernels and projected quantum kernels, the latter leveraging
+the QNN engine for optimization. A feature map tool allows for efficient layer-wise design
+based on strings, encouraging innovation beyond standard implementations. Lastly, backend integration 
+with IBM quantum computers is handled with a custom execution engine that optimizes session management
+on quantum backends and simulators, ensuring optimal use
+of quantum resources and creating an accessible environment for QML experimentation.
+
+## Prerequisites
+
+The package requires **at least Python 3.9**.
+## Installation
+
+### Stable Release
+
+To install the stable release version of sQUlearn, run the following command:
+```bash
+pip install squlearn
+```
+
+Alternatively, you can install sQUlearn directly from GitHub via
+```bash
+pip install git+ssh://git@github.com:sQUlearn/squlearn.git
+```
+
+## Examples
+There are several more elaborate examples available in the folder ``./examples`` which display the features of this package.
+Tutorials for beginners can be found at ``./examples/tutorials``.
+
+To install the required packages, run
+```bash
+pip install .[examples]
+```
+
+## Contribution
+Thanks for considering to contribute to sQUlearn! Please read our [contribution guidelines](https://github.com/sQUlearn/squlearn/blob/main/.github/CONTRIBUTING.md) before you submit a pull request.
+
+---
+
+## License
+
+[Apache License 2.0](https://github.com/sQUlearn/squlearn/blob/main/LICENSE.txt)
+
+## Imprint
+This project is maintained by the quantum computing group at the Fraunhofer Institute for Manufacturing Engineering and Automation IPA. It started as a collection of implementations of quantum machine learning methods.
+
+[http://www.ipa.fraunhofer.de/quantum](http://www.ipa.fraunhofer.de/quantum)
+
+---

{squlearn-0.2.0 → squlearn-0.3.0}/docs/README.md

@@ -15,4 +15,9 @@ Or execute in the windows shell:
 
 ```bash
 make.bat html
-```
+```
+
+Spell checking with
+```bash
+make.bat spelling
+```

squlearn-0.3.0/docs/_templates/class.rst

@@ -0,0 +1,6 @@
+:mod:`{{module}}`.\ :spelling:word:`{{objname}}`
+{{ underline }}=================================
+
+.. currentmodule:: {{ module }}
+
+.. autoclass:: {{ objname }}

{squlearn-0.2.0/docs/templates → squlearn-0.3.0/docs/_templates}/class_with_call.rst

@@ -3,8 +3,8 @@
     is added before the :mod: directive. Otherwise, the rendering will show as a
     paragraph instead of a header.
 
-:mod:`{{module}}`.{{objname}}
-{{ underline }}===============
+:mod:`{{module}}`.\ :spelling:word:`{{objname}}`
+{{ underline }}=================================
 
 .. currentmodule:: {{ module }}
 
@@ -14,8 +14,6 @@
    .. automethod:: __call__
    {% endblock %}
 
-.. include:: {{module}}.{{objname}}.examples
-
 .. raw:: html
 
     <div class="clearer"></div>

squlearn-0.3.0/docs/_templates/function.rst

@@ -0,0 +1,7 @@
+:mod:`{{module}}`.\ :spelling:word:`{{objname}}`
+{{ underline }}=================================
+
+.. currentmodule:: {{ module }}
+
+.. autofunction:: {{ objname }}
+

{squlearn-0.2.0 → squlearn-0.3.0}/docs/conf.py

@@ -12,39 +12,61 @@
 #
 # import os
 # import sys
-# sys.path.insert(0, os.path.abspath('.'))
-
+# sys.path.insert(0, os.path.abspath("."))
 
 # -- Project information -----------------------------------------------------
 
-project = 'sQUlearn'
-copyright = '2023, Fraunhofer IPA'
-author = 'Fraunhofer IPA'
+project = "sQUlearn"
+copyright = "2023, Fraunhofer IPA"
+author = "Fraunhofer IPA"
 
 # The full version, including alpha/beta/rc tags
-release = '0.2.0'
-
+release = "0.3.0"
 
 # -- General configuration ---------------------------------------------------
 
 # Add any Sphinx extension module names here, as strings. They can be
-# extensions coming with Sphinx (named 'sphinx.ext.*') or your custom
+# extensions coming with Sphinx (named "sphinx.ext.*") or your custom
 # ones.
 
-extensions = [  "sphinx.ext.autodoc",
-                "sphinx.ext.autosummary",
-                "sphinx.ext.napoleon",
-              ]
-
-autodoc_default_options = {"members": True, "inherited-members": True}
+extensions = [
+    "sphinx.ext.autodoc",
+    "sphinx.ext.autosummary",
+    "sphinx.ext.napoleon",
+    "sphinxcontrib.spelling",
+    "matplotlib.sphinxext.plot_directive",
+    "myst_parser",
+    "nbsphinx",
+    "nbsphinx_link",
+]
+
+source_suffix = {
+    ".rst": "restructuredtext",
+    ".md": "markdown",
+}
+
+autodoc_default_options = {
+    "members": True,
+    "inherited-members": True,
+    "member-order": "groupwise",
+}
+autodoc_mock_imports = ["sklearn"]
+
+# Skip property members --> They should be defined in Attributes
+def skip_property_member(app, what, name, obj, skip, options):
+    if isinstance(obj, property):
+        return True
+
+def setup(app):
+    app.connect("autodoc-skip-member", skip_property_member)
 
 # Add any paths that contain templates here, relative to this directory.
-templates_path = ['_templates']
+templates_path = ["_templates"]
 
 # List of patterns, relative to source directory, that match files and
 # directories to ignore when looking for source files.
 # This pattern also affects html_static_path and html_extra_path.
-exclude_patterns = ['_build', 'Thumbs.db', '.DS_Store']
+exclude_patterns = ["_build", "Thumbs.db", ".DS_Store", "README.md", "**.ipynb_checkpoints"]
 
 # generate autosummary even if no references
 autosummary_generate = True
@@ -54,16 +76,19 @@ autosummary_generate = True
 # The theme to use for HTML and HTML Help pages.  See the documentation for
 # a list of builtin themes.
 #
-html_theme = 'sphinx_rtd_theme'
+html_theme = "sphinx_rtd_theme"
 
 # Add any paths that contain custom static files (such as style sheets) here,
 # relative to this directory. They are copied after the builtin static files,
 # so a file named "default.css" will overwrite the builtin "default.css".
-html_static_path = ['_static']
+html_static_path = ["_static"]
 
-latex_engine = 'xelatex'
+latex_engine = "xelatex"
 latex_elements = {
-    'preamble': r'''
+    "preamble": r"""
     \usepackage{braket}
-    ''',
-}
+    """,
+}
+
+# Allow numbering for figures
+numfig = True

squlearn-0.3.0/docs/examples/example_kernel_grid_search.nblink

@@ -0,0 +1,3 @@
+{
+    "path": "../../examples/tutorials/kernel_grid_search.ipynb"
+}

squlearn-0.3.0/docs/examples/example_kernel_mnist.nblink

@@ -0,0 +1,6 @@
+{
+    "path": "../../examples/tutorials/kernel_classification_mnist.ipynb",
+    "extra-media": [
+        "../../examples/tutorials/images"
+    ]
+}

squlearn-0.3.0/docs/examples/examples_index.rst

@@ -0,0 +1,11 @@
+.. _examples:
+
+Examples
+========
+
+.. toctree::
+    :maxdepth: 3
+    :glob:
+
+    example_kernel_mnist
+    example_kernel_grid_search

{squlearn-0.2.0 → squlearn-0.3.0}/docs/index.rst

@@ -6,22 +6,14 @@
 Welcome to sQUlearn's documentation!
 ====================================
 
-Here comes some description of the sQUlearn package and the documentation.
+.. include:: ../README.md
+   :parser: myst_parser.sphinx_
 
 .. toctree::
    :maxdepth: 2
    :caption: Contents:
 
-   tutorials/install
+   install/install
+   user_guide/user_guide_index
    modules/classes
-   tutorials/use_executor
-   tutorials/pqk
-   tutorials/operators
-
-
-Indices and tables
-==================
-* :ref:`api_reference`
-* :ref:`genindex`
-* :ref:`modindex`
-* :ref:`search`
+   examples/examples_index

{squlearn-0.2.0/docs/tutorials → squlearn-0.3.0/docs/install}/install.rst

@@ -6,13 +6,14 @@ Installation
 Prerequisites
 -------------
 
-sQUlearn requires a recent python3 (>=3.8) installation.
+sQUlearn requires a recent python3 (>=3.9) installation.
 Additionally the following python packages are necessary: ::
 
     numpy>=1.17
     scipy>=1.5
     scikit-learn>=1.0
     qiskit>=0.42.1
+    qiskit-aer>=0.12.0
     qiskit-machine-learning>=0.6.0
     qiskit-ibm-runtime>=0.9
     dill>=0.3
@@ -42,9 +43,8 @@ To install the latest master version:
 Development version
 -------------------
 
-To contribute to sQUlearn with full access to code and running tests install the package from the source code:
+To install the latest development version:
 
 .. code-block:: bash
 
-    git clone https://github.com/sQUlearn/squlearn.git && cd squlearn
-    pip install -e .
+    pip install git+https://github.com/sQUlearn/squlearn.git@develop

{squlearn-0.2.0 → squlearn-0.3.0}/docs/make.bat

@@ -8,6 +8,7 @@ if "%SPHINXBUILD%" == "" (
 	set SPHINXBUILD=sphinx-build
 )
 set SOURCEDIR=.
+set MODDIR=.\modules\generated
 set BUILDDIR=_build
 
 %SPHINXBUILD% >NUL 2>NUL
@@ -24,12 +25,21 @@ if errorlevel 9009 (
 )
 
 if "%1" == "" goto help
+if "%1" == "clean" goto clean
 
 %SPHINXBUILD% -M %1 %SOURCEDIR% %BUILDDIR% %SPHINXOPTS% %O%
 goto end
 
 :help
 %SPHINXBUILD% -M help %SOURCEDIR% %BUILDDIR% %SPHINXOPTS% %O%
+goto end
+
+:clean
+%SPHINXBUILD% -M clean %SOURCEDIR% %BUILDDIR% %SPHINXOPTS% %O%
+if exist %MODDIR% (
+	echo Removing %MODDIR%
+	@RD /S /Q %MODDIR%
+)
 
 :end
 popd