pyqit 0.1.0__tar.gz

pyqit-0.1.0/LICENSE

@@ -0,0 +1,191 @@
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pyqit-0.1.0/PKG-INFO

@@ -0,0 +1,172 @@
+Metadata-Version: 2.4
+Name: pyqit
+Version: 0.1.0
+Summary: A high-level orchestration and pipeline framework for quantum machine learning
+Author: Aryan Saini
+License-Expression: Apache-2.0
+Project-URL: Homepage, https://github.com/phoeenniixx/pyQit
+Project-URL: Documentation, https://pyqit.readthedocs.io/en/stable/
+Project-URL: Source, https://github.com/phoeenniixx/pyQit
+Project-URL: Changelog, https://github.com/phoeenniixx/pyQit/blob/main/CHANGELOG.md
+Classifier: Intended Audience :: Developers
+Classifier: Intended Audience :: Science/Research
+Classifier: Programming Language :: Python :: 3
+Classifier: Programming Language :: Python :: 3.10
+Classifier: Programming Language :: Python :: 3.11
+Classifier: Programming Language :: Python :: 3.12
+Classifier: Programming Language :: Python :: 3.13
+Classifier: Programming Language :: Python :: 3.14
+Classifier: Topic :: Scientific/Engineering
+Classifier: Topic :: Scientific/Engineering :: Physics
+Classifier: Topic :: Scientific/Engineering :: Artificial Intelligence
+Classifier: Topic :: Software Development
+Classifier: Topic :: Software Development :: Libraries
+Classifier: Topic :: Software Development :: Libraries :: Python Modules
+Requires-Python: <3.15,>=3.10
+Description-Content-Type: text/markdown
+License-File: LICENSE
+Requires-Dist: pennylane<0.46.0,>=0.42.0
+Requires-Dist: numpy<3.0.0
+Requires-Dist: pandas<3.1.0,>=2.3.3
+Requires-Dist: scikit-learn<2.0,>=1.7.2
+Requires-Dist: scikit-base<1.2.0
+Provides-Extra: all-extras
+Requires-Dist: torch!=2.0.1,<3.0.0,>=2.11.0; extra == "all-extras"
+Requires-Dist: lightning; extra == "all-extras"
+Requires-Dist: matplotlib; extra == "all-extras"
+Requires-Dist: rich; extra == "all-extras"
+Provides-Extra: pytorch
+Requires-Dist: torch!=2.0.1,<3.0.0,>=2.11.0; extra == "pytorch"
+Requires-Dist: lightning; extra == "pytorch"
+Provides-Extra: qiskit
+Requires-Dist: pennylane-qiskit; extra == "qiskit"
+Provides-Extra: dev
+Requires-Dist: pydocstyle; extra == "dev"
+Requires-Dist: pre-commit; extra == "dev"
+Requires-Dist: ruff; extra == "dev"
+Requires-Dist: pytest; extra == "dev"
+Requires-Dist: pytest-xdist; extra == "dev"
+Requires-Dist: ipykernel; extra == "dev"
+Requires-Dist: nbconvert; extra == "dev"
+Requires-Dist: sphinx; extra == "dev"
+Requires-Dist: pydata-sphinx-theme; extra == "dev"
+Requires-Dist: nbsphinx; extra == "dev"
+Requires-Dist: myst-parser; extra == "dev"
+Requires-Dist: ipywidgets<9.0.0,>=8.1.8; extra == "dev"
+Requires-Dist: pytest-dotenv<1.0.0,>=0.5.2; extra == "dev"
+Provides-Extra: docs
+Requires-Dist: sphinx<9.1.1,>3.2; extra == "docs"
+Requires-Dist: pydata-sphinx-theme; extra == "docs"
+Requires-Dist: nbsphinx; extra == "docs"
+Requires-Dist: nbconvert; extra == "docs"
+Requires-Dist: ipywidgets<9.0.0,>=8.1.8; extra == "docs"
+Requires-Dist: myst-parser; extra == "docs"
+Requires-Dist: docutils; extra == "docs"
+Provides-Extra: github-actions
+Requires-Dist: pytest-github-actions-annotate-failures; extra == "github-actions"
+Dynamic: license-file
+
+<p align="center">
+  <img src="docs/_static/pyqit-banner.png" alt="PyQit" width="320">
+</p>
+
+[![PyPI](https://img.shields.io/pypi/v/pyqit.svg)](https://pypi.org/project/pyqit/)
+[![Python 3.10+](https://img.shields.io/badge/python-3.10+-blue.svg)](https://www.python.org/downloads/)
+![Status: Active Development](https://img.shields.io/badge/status-active_development-orange.svg)
+[![Docs](https://app.readthedocs.org/projects/pyqit/badge/?version=stable)](https://pyqit.readthedocs.io/en/stable/)
+[![Code style: ruff](https://img.shields.io/badge/code%20style-ruff-261230.svg)](https://github.com/astral-sh/ruff)
+[![Build Status](https://img.shields.io/github/actions/workflow/status/phoeenniixx/pyQit/test.yml)](https://github.com/phoeenniixx/pyqit/actions)
+
+PyQit is a quantum machine learning framework built on
+[PennyLane](https://docs.pennylane.ai/en/stable/). It puts a Trainer, a
+DataModule and model classes on top of PennyLane QNodes, so training a variational
+circuit is a `fit` call rather than an optimizer loop you write yourself.
+[PyTorch](https://pytorch.org/docs/stable/) and
+[PyTorch Lightning](https://lightning.ai/docs/pytorch/stable/) are optional. Install
+them and the same code trains through PyTorch Lightning instead of autograd. That is the
+PyTorch project, not PennyLane's `lightning.qubit` simulator, which is a device and works
+on either backend.
+
+Version `0.1.0`.
+
+The [documentation](https://pyqit.readthedocs.io/en/stable/) has the tutorials, the API
+reference and the design notes. This page is the short version.
+
+## Installation
+
+```bash
+pip install pyqit                 # pennylane and numpy
+pip install "pyqit[pytorch]"      # adds torch and pytorch lightning
+pip install "pyqit[all_extras]"   # adds matplotlib and rich as well
+pip install "pyqit[qiskit]"       # adds the PennyLane-Qiskit plugin
+```
+
+With uv, `uv add pyqit` or `uv pip install "pyqit[pytorch]"` takes the same extras. There
+is no conda package. Inside a conda environment, use pip.
+
+`all_extras` covers torch, lightning, matplotlib and rich. The Qiskit plugin is not part
+of it, because it needs Python 3.11 or newer. Install it through the `qiskit` extra on
+its own.
+
+## Quickstart
+
+```python
+from sklearn.datasets import make_moons
+
+import pyqit
+from pyqit.ansatzes import SELAnsatz
+from pyqit.core import AngleEmbedding
+from pyqit.models import VQCClassifier
+
+pyqit.set_seed(42)
+
+X, y = make_moons(n_samples=200, noise=0.1, random_state=0)
+
+# Nothing is split, normalized or prescaled until the Trainer calls setup().
+dm = pyqit.DataModule(X, y, normalize="minmax", batch_size=16)
+
+model = VQCClassifier(
+    n_qubits=4,
+    n_layers=3,
+    ansatz=SELAnsatz,
+    encoder=AngleEmbedding,
+)
+
+trainer = pyqit.Trainer(max_epochs=30, learning_rate=0.05)
+history = trainer.fit(model, dm)
+
+print(history.best_epoch, history.best_score)   # 22 0.0947
+preds = trainer.predict(model, dm)              # runs on the test split
+```
+
+`fit` returns a `TrainingHistory` with one entry per epoch for train and validation loss
+and accuracy. The model draws its weights and reads the backend in `__init__`, so seed
+and pick the backend before you build it.
+
+## What is in the box
+
+Each item links to its page in the docs.
+
+- [Backends](https://pyqit.readthedocs.io/en/stable/api/trainer.html). `pyqit.set_backend("torch")` moves training to PyTorch Lightning. Same model, same callbacks, same history. PyTorch Lightning settings go through `Trainer(backend_kwargs=...)`.
+- [DataModule](https://pyqit.readthedocs.io/en/stable/api/datamodule.html). Nothing runs until the Trainer asks. It splits, fits normalization on the train split only, and prescales inputs for the model's embedding.
+- [Callbacks](https://pyqit.readthedocs.io/en/stable/api/callbacks.html). `EarlyStopping` and `ModelCheckpoint` work on both backends. Your own is a `BaseCallback` with up to three methods.
+- [Losses](https://pyqit.readthedocs.io/en/stable/api/losses.html). `mse`, `hinge`, `cross_entropy`, or any callable.
+- [Barren-plateau check](https://pyqit.readthedocs.io/en/stable/api/diagnostics.html). `Trainer(check_bp=True)` samples gradients at random weights before training and tells you whether their variance sits above the theoretical floor.
+- [Pipelines](https://pyqit.readthedocs.io/en/stable/api/pipeline.html). `QuantumPipeline` chains models or runs them as an ensemble.
+- [Devices](https://pyqit.readthedocs.io/en/stable/api/models.html#devices). `device=` takes any PennyLane device name, plugins included. The [PennyLane-Qiskit](https://docs.pennylane.ai/projects/qiskit/en/stable/) plugin is tested, and `Trainer(verbose=2)` prints which differentiation method a device gets.
+
+Tutorials walk through a [VQC end to end](https://pyqit.readthedocs.io/en/stable/tutorials/vqc.html),
+[callbacks and checkpoints](https://pyqit.readthedocs.io/en/stable/tutorials/callbacks.html)
+and [barren plateaus](https://pyqit.readthedocs.io/en/stable/tutorials/barren_plateau.html).
+
+## Contributing
+
+Issues and pull requests are welcome. The
+[contributing guide](https://pyqit.readthedocs.io/en/stable/contributing.html) has the
+conventions.
+
+```bash
+pip install -e ".[dev,all_extras]"
+python -m pytest -n auto
+pre-commit run --all-files
+```

pyqit-0.1.0/README.md

@@ -0,0 +1,104 @@
+<p align="center">
+  <img src="docs/_static/pyqit-banner.png" alt="PyQit" width="320">
+</p>
+
+[![PyPI](https://img.shields.io/pypi/v/pyqit.svg)](https://pypi.org/project/pyqit/)
+[![Python 3.10+](https://img.shields.io/badge/python-3.10+-blue.svg)](https://www.python.org/downloads/)
+![Status: Active Development](https://img.shields.io/badge/status-active_development-orange.svg)
+[![Docs](https://app.readthedocs.org/projects/pyqit/badge/?version=stable)](https://pyqit.readthedocs.io/en/stable/)
+[![Code style: ruff](https://img.shields.io/badge/code%20style-ruff-261230.svg)](https://github.com/astral-sh/ruff)
+[![Build Status](https://img.shields.io/github/actions/workflow/status/phoeenniixx/pyQit/test.yml)](https://github.com/phoeenniixx/pyqit/actions)
+
+PyQit is a quantum machine learning framework built on
+[PennyLane](https://docs.pennylane.ai/en/stable/). It puts a Trainer, a
+DataModule and model classes on top of PennyLane QNodes, so training a variational
+circuit is a `fit` call rather than an optimizer loop you write yourself.
+[PyTorch](https://pytorch.org/docs/stable/) and
+[PyTorch Lightning](https://lightning.ai/docs/pytorch/stable/) are optional. Install
+them and the same code trains through PyTorch Lightning instead of autograd. That is the
+PyTorch project, not PennyLane's `lightning.qubit` simulator, which is a device and works
+on either backend.
+
+Version `0.1.0`.
+
+The [documentation](https://pyqit.readthedocs.io/en/stable/) has the tutorials, the API
+reference and the design notes. This page is the short version.
+
+## Installation
+
+```bash
+pip install pyqit                 # pennylane and numpy
+pip install "pyqit[pytorch]"      # adds torch and pytorch lightning
+pip install "pyqit[all_extras]"   # adds matplotlib and rich as well
+pip install "pyqit[qiskit]"       # adds the PennyLane-Qiskit plugin
+```
+
+With uv, `uv add pyqit` or `uv pip install "pyqit[pytorch]"` takes the same extras. There
+is no conda package. Inside a conda environment, use pip.
+
+`all_extras` covers torch, lightning, matplotlib and rich. The Qiskit plugin is not part
+of it, because it needs Python 3.11 or newer. Install it through the `qiskit` extra on
+its own.
+
+## Quickstart
+
+```python
+from sklearn.datasets import make_moons
+
+import pyqit
+from pyqit.ansatzes import SELAnsatz
+from pyqit.core import AngleEmbedding
+from pyqit.models import VQCClassifier
+
+pyqit.set_seed(42)
+
+X, y = make_moons(n_samples=200, noise=0.1, random_state=0)
+
+# Nothing is split, normalized or prescaled until the Trainer calls setup().
+dm = pyqit.DataModule(X, y, normalize="minmax", batch_size=16)
+
+model = VQCClassifier(
+    n_qubits=4,
+    n_layers=3,
+    ansatz=SELAnsatz,
+    encoder=AngleEmbedding,
+)
+
+trainer = pyqit.Trainer(max_epochs=30, learning_rate=0.05)
+history = trainer.fit(model, dm)
+
+print(history.best_epoch, history.best_score)   # 22 0.0947
+preds = trainer.predict(model, dm)              # runs on the test split
+```
+
+`fit` returns a `TrainingHistory` with one entry per epoch for train and validation loss
+and accuracy. The model draws its weights and reads the backend in `__init__`, so seed
+and pick the backend before you build it.
+
+## What is in the box
+
+Each item links to its page in the docs.
+
+- [Backends](https://pyqit.readthedocs.io/en/stable/api/trainer.html). `pyqit.set_backend("torch")` moves training to PyTorch Lightning. Same model, same callbacks, same history. PyTorch Lightning settings go through `Trainer(backend_kwargs=...)`.
+- [DataModule](https://pyqit.readthedocs.io/en/stable/api/datamodule.html). Nothing runs until the Trainer asks. It splits, fits normalization on the train split only, and prescales inputs for the model's embedding.
+- [Callbacks](https://pyqit.readthedocs.io/en/stable/api/callbacks.html). `EarlyStopping` and `ModelCheckpoint` work on both backends. Your own is a `BaseCallback` with up to three methods.
+- [Losses](https://pyqit.readthedocs.io/en/stable/api/losses.html). `mse`, `hinge`, `cross_entropy`, or any callable.
+- [Barren-plateau check](https://pyqit.readthedocs.io/en/stable/api/diagnostics.html). `Trainer(check_bp=True)` samples gradients at random weights before training and tells you whether their variance sits above the theoretical floor.
+- [Pipelines](https://pyqit.readthedocs.io/en/stable/api/pipeline.html). `QuantumPipeline` chains models or runs them as an ensemble.
+- [Devices](https://pyqit.readthedocs.io/en/stable/api/models.html#devices). `device=` takes any PennyLane device name, plugins included. The [PennyLane-Qiskit](https://docs.pennylane.ai/projects/qiskit/en/stable/) plugin is tested, and `Trainer(verbose=2)` prints which differentiation method a device gets.
+
+Tutorials walk through a [VQC end to end](https://pyqit.readthedocs.io/en/stable/tutorials/vqc.html),
+[callbacks and checkpoints](https://pyqit.readthedocs.io/en/stable/tutorials/callbacks.html)
+and [barren plateaus](https://pyqit.readthedocs.io/en/stable/tutorials/barren_plateau.html).
+
+## Contributing
+
+Issues and pull requests are welcome. The
+[contributing guide](https://pyqit.readthedocs.io/en/stable/contributing.html) has the
+conventions.
+
+```bash
+pip install -e ".[dev,all_extras]"
+python -m pytest -n auto
+pre-commit run --all-files
+```

pyqit-0.1.0/pyproject.toml

@@ -0,0 +1,158 @@
+[project]
+name = "pyqit"
+readme = "README.md"         # Markdown files are supported
+version = "0.1.0"
+
+authors = [
+  {name = "Aryan Saini"},
+]
+requires-python = ">=3.10,<3.15"
+license = "Apache-2.0"
+license-files = ["LICENSE"]
+classifiers = [
+  "Intended Audience :: Developers",
+  "Intended Audience :: Science/Research",
+  "Programming Language :: Python :: 3",
+  "Programming Language :: Python :: 3.10",
+  "Programming Language :: Python :: 3.11",
+  "Programming Language :: Python :: 3.12",
+  "Programming Language :: Python :: 3.13",
+  "Programming Language :: Python :: 3.14",
+  "Topic :: Scientific/Engineering",
+  "Topic :: Scientific/Engineering :: Physics",
+  "Topic :: Scientific/Engineering :: Artificial Intelligence",
+  "Topic :: Software Development",
+  "Topic :: Software Development :: Libraries",
+  "Topic :: Software Development :: Libraries :: Python Modules",
+]
+description = "A high-level orchestration and pipeline framework for quantum machine learning"
+
+dependencies = [
+  "pennylane >=0.42.0, <0.46.0",
+  "numpy <3.0.0",
+  "pandas >=2.3.3,<3.1.0",
+  "scikit-learn >=1.7.2,<2.0",
+  "scikit-base <1.2.0",
+]
+
+[project.urls]
+Homepage = "https://github.com/phoeenniixx/pyQit"
+Documentation = "https://pyqit.readthedocs.io/en/stable/"
+Source = "https://github.com/phoeenniixx/pyQit"
+Changelog = "https://github.com/phoeenniixx/pyQit/blob/main/CHANGELOG.md"
+
+[project.optional-dependencies]
+all_extras = [
+  "torch !=2.0.1,>=2.11.0,<3.0.0",
+  "lightning",
+  "matplotlib",
+  "rich"
+]
+
+pytorch = [
+  "torch !=2.0.1,>=2.11.0,<3.0.0",
+  "lightning",
+]
+
+qiskit = [
+  "pennylane-qiskit",
+]
+
+dev = [
+  "pydocstyle",
+  # checks and make tools
+  "pre-commit",
+  "ruff",
+  # pytest
+  "pytest",
+  "pytest-xdist",
+  # jupyter notebook
+  "ipykernel",
+  "nbconvert",
+  # documentatation
+  "sphinx",
+  "pydata-sphinx-theme",
+  "nbsphinx",
+  "myst-parser",
+  "ipywidgets>=8.1.8,<9.0.0",
+  "pytest-dotenv>=0.5.2,<1.0.0",
+]
+
+# docs - dependencies for building the documentation
+docs = [
+  "sphinx>3.2,<9.1.1",
+  "pydata-sphinx-theme",
+  "nbsphinx",
+  "nbconvert",
+  "ipywidgets>=8.1.8,<9.0.0",
+  "myst-parser",
+  "docutils",
+]
+
+github-actions = ["pytest-github-actions-annotate-failures"]
+
+[tool.setuptools.packages.find]
+exclude = ["build_tools"]
+include = ["pyqit", "pyqit*"]
+
+[build-system]
+build-backend = "setuptools.build_meta"
+requires = [
+  "setuptools>=82.0.1",
+]
+
+[tool.pytest.ini_options]
+addopts = "-v"
+
+[tool.ruff]
+line-length = 88
+exclude = [
+  "node_modules/",
+  "venv/",
+  ".venv/",
+  ".git/",
+  ".history/",
+]
+target-version = "py310"
+
+[tool.ruff.format]
+# Enable formatting
+quote-style = "double"
+indent-style = "space"
+skip-magic-trailing-comma = false
+line-ending = "auto"
+
+[tool.ruff.lint]
+select = ["E", "F", "W", "C4", "S"]
+extend-select = [
+  "I", # isort
+  "UP", # pyupgrade
+  "C4", # https://pypi.org/project/flake8-comprehensions
+]
+extend-ignore = [
+  "E203", # space before : (needed for how black formats slicing)
+  "E402", # module level import not at top of file
+  "E731", # do not assign a lambda expression, use a def
+  "E741", # ignore not easy to read variables like i l I etc.
+  "C406", # Unnecessary list literal - rewrite as a dict literal.
+  "C408", # Unnecessary dict call - rewrite as a literal.
+  "C409", # Unnecessary list passed to tuple() - rewrite as a tuple literal.
+  "S101", # use of assert
+  "UP038", # isinstance(x, (a, b)) is not allowed
+]
+
+[tool.ruff.lint.per-file-ignores]
+"__init__.py" = ["F401"]
+"build_tools/changelog.py" = ["S603", "S607"]
+
+[tool.ruff.lint.isort]
+known-first-party = ["pyqit"]
+combine-as-imports = true
+force-sort-within-sections = true
+
+[tool.nbqa.mutate]
+ruff = 1
+black = 1
+
+[tool.ruff.lint.pydocstyle]
+convention = "numpy"

pyqit-0.1.0/pyqit/__init__.py

@@ -0,0 +1,19 @@
+from importlib.metadata import version as _version
+import logging
+
+__version__ = _version("pyqit")
+
+logging.getLogger("pyqit").addHandler(logging.NullHandler())
+
+from pyqit.core.config import get_backend, set_backend, set_seed
+from pyqit.core.trainer import Trainer
+from pyqit.data.datamodule import DataModule
+
+__all__ = [
+    "DataModule",
+    "Trainer",
+    "__version__",
+    "get_backend",
+    "set_backend",
+    "set_seed",
+]

pyqit-0.1.0/pyqit/ansatzes/__init__.py

@@ -0,0 +1,18 @@
+"""A module for quantum ansatzes."""
+
+from pyqit.ansatzes.base import BaseAnsatz
+from pyqit.ansatzes.basic_entangler import BasicEntanglerAnsatz
+from pyqit.ansatzes.cnot_ladder import CNOTLadderAnsatz
+from pyqit.ansatzes.hardware_efficient import EfficientSU2Ansatz, RealAmplitudesAnsatz
+from pyqit.ansatzes.sel import SELAnsatz
+from pyqit.ansatzes.simplified_two_design import SimplifiedTwoDesignAnsatz
+
+__all__ = [
+    "BaseAnsatz",
+    "BasicEntanglerAnsatz",
+    "CNOTLadderAnsatz",
+    "EfficientSU2Ansatz",
+    "RealAmplitudesAnsatz",
+    "SELAnsatz",
+    "SimplifiedTwoDesignAnsatz",
+]