diff --git a/.github/workflows/docs.yml b/.github/workflows/docs.yml index 94ac0a2..9aabfde 100644 --- a/.github/workflows/docs.yml +++ b/.github/workflows/docs.yml @@ -30,7 +30,7 @@ jobs: - name: Build the sphinx docs run: | - uv run sphinx-apidoc -f -o ./sphinx/source ./src/bolightningpipeline + uv run sphinx-apidoc -f -o ./sphinx/source ./src/matchcake_opt uv run make -C sphinx clean uv run python sphinx/clean_html_files.py uv run make -C sphinx html diff --git a/.gitignore b/.gitignore index a136d41..31d1fff 100644 --- a/.gitignore +++ b/.gitignore @@ -305,3 +305,4 @@ coverage.json /notebooks/Digits2D /notebooks/Cifar10 /notebooks/data +/.tmp diff --git a/README.md b/README.md index 843a9f5..832303e 100644 --- a/README.md +++ b/README.md @@ -129,6 +129,7 @@ For more detailed examples see ## License +[Apache License 2.0](LICENSE) ## Acknowledgements diff --git a/notebooks/automl_pipeline_tutorial.ipynb b/notebooks/automl_pipeline_tutorial.ipynb index d023d8e..c1d8594 100644 --- a/notebooks/automl_pipeline_tutorial.ipynb +++ b/notebooks/automl_pipeline_tutorial.ipynb @@ -37,7 +37,7 @@ ")\n", "from torchvision.transforms import Resize\n", "\n", - "from matchcake_opt.datasets import *\n", + "from matchcake_opt.datamodules.datamodule import DataModule\n", "from matchcake_opt.modules.classification_model import ClassificationModel\n", "from matchcake_opt.tr_pipeline.automl_pipeline import AutoMLPipeline" ], @@ -259,7 +259,7 @@ "checkpoint_folder = Path(job_output_folder) / \"checkpoints\"\n", "pipeline_args = dict(\n", " max_epochs=100, # increase at least to 256\n", - " max_time=\"00:00:02:00\", # DD:HH:MM:SS, increase at least to \"00:01:00:00\"\n", + " max_time=\"00:00:01:00\", # DD:HH:MM:SS, increase at least to \"00:01:00:00\"\n", ")" ], "id": "d8db16a0825411", diff --git a/notebooks/datasets_normalisation.ipynb b/notebooks/datasets_normalisation.ipynb new file mode 100644 index 0000000..bfee450 --- /dev/null +++ b/notebooks/datasets_normalisation.ipynb @@ -0,0 +1,259 @@ +{ + "cells": [ + { + "metadata": {}, + "cell_type": "markdown", + "source": "# Normalization of Datasets", + "id": "8b10448261733a07" + }, + { + "metadata": {}, + "cell_type": "markdown", + "source": "## MEDMNIST: PathMNIST", + "id": "822c3957d720a63b" + }, + { + "cell_type": "code", + "id": "initial_id", + "metadata": { + "collapsed": true, + "ExecuteTime": { + "end_time": "2025-11-03T14:40:00.436371Z", + "start_time": "2025-11-03T14:39:56.065478Z" + } + }, + "source": [ + "from medmnist import PathMNIST\n", + "from torchvision.transforms import v2\n", + "from pathlib import Path\n", + "import torch\n", + "import numpy as np\n", + "\n", + "\n", + "PRECISION = 5" + ], + "outputs": [], + "execution_count": 1 + }, + { + "metadata": { + "ExecuteTime": { + "end_time": "2025-11-03T14:40:16.084198Z", + "start_time": "2025-11-03T14:40:00.440379Z" + } + }, + "cell_type": "code", + "source": [ + "root = Path(\"./data/\") / \"PathMNIST\"\n", + "root.mkdir(parents=True, exist_ok=True)\n", + "data = PathMNIST(\n", + " root=root,\n", + " split=\"train\",\n", + " download=True,\n", + " transform=v2.Compose(\n", + " [\n", + " v2.ToImage(),\n", + " v2.ToDtype(torch.float32, scale=True),\n", + " ]\n", + " ),\n", + ")\n", + "imgs = torch.stack([d[0] for d in data], dim=-1).permute(3, 1, 2, 0).cpu().numpy()\n", + "imgs = imgs.reshape(-1, data.imgs.shape[-1])\n", + "print(f\"PathMNIST Dataset Shape: {data.imgs.shape}\")\n", + "print(f\"PathMNIST Dataset Means: {np.round(imgs.mean(0), PRECISION)}\")\n", + "print(f\"PathMNIST Dataset Stds: {np.round(imgs.std(0), PRECISION)}\")" + ], + "id": "56bb1e919827063c", + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "PathMNIST Dataset Shape: (89996, 28, 28, 3)\n", + "PathMNIST Dataset Means: [0.23778 0.23778 0.23778]\n", + "PathMNIST Dataset Stds: [0.35807 0.3089 0.35218]\n" + ] + } + ], + "execution_count": 2 + }, + { + "metadata": {}, + "cell_type": "markdown", + "source": "## MEDMNIST: RetinaMNIST", + "id": "b51bc4fe4aca42e4" + }, + { + "metadata": { + "ExecuteTime": { + "end_time": "2025-11-03T14:40:16.493835Z", + "start_time": "2025-11-03T14:40:16.145319Z" + } + }, + "cell_type": "code", + "source": [ + "from medmnist import RetinaMNIST\n", + "\n", + "\n", + "root = Path(\"./data/\") / \"RetinaMNIST\"\n", + "root.mkdir(parents=True, exist_ok=True)\n", + "data = RetinaMNIST(\n", + " root=root,\n", + " split=\"train\",\n", + " download=True,\n", + " transform=v2.Compose(\n", + " [\n", + " v2.ToImage(),\n", + " v2.ToDtype(torch.float32, scale=True),\n", + " ]\n", + " ),\n", + ")\n", + "imgs = torch.stack([d[0] for d in data], dim=-1).permute(3, 1, 2, 0).cpu().numpy()\n", + "imgs = imgs.reshape(-1, data.imgs.shape[-1])\n", + "print(f\"RetinaMNIST Dataset Shape: {data.imgs.shape}\")\n", + "print(f\"RetinaMNIST Dataset Means: {np.round(imgs.mean(0), PRECISION)}\")\n", + "print(f\"RetinaMNIST Dataset Stds: {np.round(imgs.std(0), PRECISION)}\")" + ], + "id": "159a7610d26e86bb", + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "RetinaMNIST Dataset Shape: (1080, 28, 28, 3)\n", + "RetinaMNIST Dataset Means: [0.39862 0.24519 0.15615]\n", + "RetinaMNIST Dataset Stds: [0.29827 0.20057 0.15053]\n" + ] + } + ], + "execution_count": 3 + }, + { + "metadata": {}, + "cell_type": "markdown", + "source": "## CIFAR10", + "id": "2fbc0f268d1be290" + }, + { + "metadata": { + "ExecuteTime": { + "end_time": "2025-11-03T14:40:26.853063Z", + "start_time": "2025-11-03T14:40:16.504986Z" + } + }, + "cell_type": "code", + "source": [ + "from torchvision.datasets import CIFAR10\n", + "\n", + "root = Path(\"./data/\") / \"CIFAR10\"\n", + "root.mkdir(parents=True, exist_ok=True)\n", + "data = CIFAR10(\n", + " root=root,\n", + " train=True,\n", + " download=True,\n", + " transform=v2.Compose(\n", + " [\n", + " v2.ToImage(),\n", + " v2.ToDtype(torch.float32, scale=True),\n", + " ]\n", + " ),\n", + ")\n", + "imgs = torch.stack([d[0] for d in data], dim=-1).permute(3, 1, 2, 0).cpu().numpy()\n", + "print(f\"CIFAR10 Dataset Shape: {imgs.shape}\")\n", + "imgs = imgs.reshape(-1, imgs.shape[-1])\n", + "print(f\"CIFAR10 Dataset Means: {np.round(imgs.mean(0), PRECISION)}\")\n", + "print(f\"CIFAR10 Dataset Stds: {np.round(imgs.std(0), PRECISION)}\")" + ], + "id": "b8edde9c8da4faeb", + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "CIFAR10 Dataset Shape: (50000, 32, 32, 3)\n", + "CIFAR10 Dataset Means: [0.32768 0.32768 0.32768]\n", + "CIFAR10 Dataset Stds: [0.27755 0.2693 0.26812]\n" + ] + } + ], + "execution_count": 4 + }, + { + "metadata": {}, + "cell_type": "markdown", + "source": "## MNIST", + "id": "7139efe270121e2b" + }, + { + "metadata": { + "ExecuteTime": { + "end_time": "2025-11-03T14:40:34.124994Z", + "start_time": "2025-11-03T14:40:26.868597Z" + } + }, + "cell_type": "code", + "source": [ + "from torchvision.datasets import MNIST\n", + "\n", + "root = Path(\"./data/\") / \"MNIST\"\n", + "root.mkdir(parents=True, exist_ok=True)\n", + "data = MNIST(\n", + " root=root,\n", + " train=True,\n", + " download=True,\n", + " transform=v2.Compose(\n", + " [\n", + " v2.ToImage(),\n", + " v2.ToDtype(torch.float32, scale=True),\n", + " ]\n", + " ),\n", + ")\n", + "imgs = torch.stack([d[0] for d in data], dim=-1).permute(3, 1, 2, 0).cpu().numpy()\n", + "print(f\"MNIST Dataset Shape: {imgs.shape}\")\n", + "imgs = imgs.reshape(-1, imgs.shape[-1])\n", + "print(f\"MNIST Dataset Means: {np.round(imgs.mean(0), PRECISION)}\")\n", + "print(f\"MNIST Dataset Stds: {np.round(imgs.std(0), PRECISION)}\")" + ], + "id": "2313354e9a3c61f0", + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "MNIST Dataset Shape: (60000, 28, 28, 1)\n", + "MNIST Dataset Means: [0.13066]\n", + "MNIST Dataset Stds: [0.30811]\n" + ] + } + ], + "execution_count": 5 + }, + { + "metadata": {}, + "cell_type": "markdown", + "source": "----------------------", + "id": "53856f3e16fff049" + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 3", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 2 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython2", + "version": "2.7.6" + } + }, + "nbformat": 4, + "nbformat_minor": 5 +} diff --git a/notebooks/ligthning_pipeline_tutorial.ipynb b/notebooks/ligthning_pipeline_tutorial.ipynb index a00bda0..9499d1b 100644 --- a/notebooks/ligthning_pipeline_tutorial.ipynb +++ b/notebooks/ligthning_pipeline_tutorial.ipynb @@ -34,7 +34,7 @@ ")\n", "from torchvision.transforms import Resize\n", "\n", - "from matchcake_opt.datasets import *\n", + "from matchcake_opt.datamodules.datamodule import DataModule\n", "from matchcake_opt.modules.classification_model import ClassificationModel\n", "from matchcake_opt.tr_pipeline.lightning_pipeline import LightningPipeline" ], @@ -275,7 +275,7 @@ " datamodule=datamodule,\n", " checkpoint_folder=checkpoint_folder,\n", " max_epochs=10,\n", - " max_time=\"00:00:03:00\", # DD:HH:MM:SS\n", + " max_time=\"00:00:01:00\", # DD:HH:MM:SS\n", " overwrite_fit=True,\n", " verbose=True,\n", " **model_args,\n", diff --git a/notebooks/nif_deep_learning.ipynb b/notebooks/nif_deep_learning.ipynb index 12890b5..6214b22 100644 --- a/notebooks/nif_deep_learning.ipynb +++ b/notebooks/nif_deep_learning.ipynb @@ -29,7 +29,7 @@ "from matchcake import NonInteractingFermionicDevice\n", "from matchcake.operations import SptmAngleEmbedding, SptmfRxRx, SptmFHH\n", "\n", - "from matchcake_opt.datasets import *\n", + "from matchcake_opt.datamodules.datamodule import DataModule\n", "from matchcake_opt.modules.classification_model import ClassificationModel\n", "from matchcake_opt.tr_pipeline.automl_pipeline import AutoMLPipeline\n", "from matchcake_opt.tr_pipeline.lightning_pipeline import LightningPipeline" @@ -157,7 +157,7 @@ "checkpoint_folder = Path(job_output_folder) / \"checkpoints\"\n", "pipeline_args = dict(\n", " max_epochs=128, # increase at least to 256\n", - " max_time=\"00:00:02:00\", # DD:HH:MM:SS, increase at least to \"00:01:00:00\"\n", + " max_time=\"00:00:01:00\", # DD:HH:MM:SS, increase at least to \"00:01:00:00\"\n", ")" ], "id": "412328c44c55e453", @@ -211,7 +211,7 @@ " datamodule=datamodule,\n", " checkpoint_folder=checkpoint_folder,\n", " max_epochs=10,\n", - " max_time=\"00:00:03:00\", # DD:HH:MM:SS\n", + " max_time=\"00:00:01:00\", # DD:HH:MM:SS\n", " overwrite_fit=True,\n", " verbose=True,\n", " **model_args,\n", diff --git a/pyproject.toml b/pyproject.toml index 7b6b960..88dca9c 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -22,16 +22,17 @@ dependencies = [ "psutil>=5.9.6", "importlib-metadata (>=8.7.0,<9.0.0)", "torch (>=2.6.0,<3.0.0)", - "torchvision (>=0.21.0,<0.23.0)", + "torchvision (>=0.21.0)", "torchaudio (>=2.6.0,<3.0.0)", "lightning (>=2.5.2,<3.0.0)", "tensorboardx (>=2.6.4,<3.0.0)", "tensorboard (>=2.19.0,<3.0.0)", "ax-platform[mysql] (>=1.0.0,<2.0.0)", "torcheval (>=0.0.7,<0.0.8)", - "matchcake (>=0.0.4,<0.0.5)", + "matchcake (>=0.0.4)", "autoray (<=0.7.2)", "medmnist (>=3.0.2,<4.0.0)", + "torch-geometric>=2.7.0", ] dynamic = ["readme"] @@ -49,6 +50,8 @@ dev = [ "twine>=6.1.0,<7", "pytest-xdist>=3.7.0,<4", "isort>=6.0.1,<7", + "types-networkx>=3.5.0.20251001", + "pip>=25.3", ] docs = [ "sphinx>=6.2.1,<6.3.0", @@ -81,6 +84,7 @@ conflicts = [ [ { extra = "cpu" }, { extra = "cu128" }, + { extra = "cu130" }, ], ] @@ -93,15 +97,21 @@ cu128 = [ "torch>=2.7.0", "torchvision>=0.22.0", ] +cu130 = [ + "torch>=2.7.0", + "torchvision>=0.23.0", +] [tool.uv.sources] torch = [ { index = "pytorch-cpu", extra = "cpu" }, { index = "pytorch-cu128", extra = "cu128" }, + { index = "pytorch-cu130", extra = "cu130" }, ] torchvision = [ { index = "pytorch-cpu", extra = "cpu" }, { index = "pytorch-cu128", extra = "cu128" }, + { index = "pytorch-cu130", extra = "cu130" }, ] [[tool.uv.index]] @@ -114,6 +124,11 @@ name = "pytorch-cu128" url = "https://download.pytorch.org/whl/cu128" explicit = true +[[tool.uv.index]] +name = "pytorch-cu130" +url = "https://download.pytorch.org/whl/cu130" +explicit = true + [tool.setuptools.dynamic] readme = {file = "README.md", content-type = "text/markdown"} @@ -165,6 +180,10 @@ module = [ "pandas", "psutil", "matchcake.utils", + "torch_geometric.data", + "torch_geometric.utils", + "matchcake.utils.torch_utils", + "torch_geometric.loader", ] ignore_missing_imports = true diff --git a/src/matchcake_opt/__init__.py b/src/matchcake_opt/__init__.py index 7cf4a73..6c191f7 100644 --- a/src/matchcake_opt/__init__.py +++ b/src/matchcake_opt/__init__.py @@ -16,3 +16,6 @@ warnings.filterwarnings("ignore", category=Warning, module="docutils") warnings.filterwarnings("ignore", category=Warning, module="sphinx") + +from .datamodules import DataModule +from .datasets import get_dataset_cls_by_name diff --git a/src/matchcake_opt/datamodules/__init__.py b/src/matchcake_opt/datamodules/__init__.py new file mode 100644 index 0000000..01bd612 --- /dev/null +++ b/src/matchcake_opt/datamodules/__init__.py @@ -0,0 +1 @@ +from .datamodule import DataModule diff --git a/src/matchcake_opt/datasets/datamodule.py b/src/matchcake_opt/datamodules/datamodule.py similarity index 86% rename from src/matchcake_opt/datasets/datamodule.py rename to src/matchcake_opt/datamodules/datamodule.py index 0724eee..f1d2032 100644 --- a/src/matchcake_opt/datasets/datamodule.py +++ b/src/matchcake_opt/datamodules/datamodule.py @@ -1,12 +1,12 @@ import argparse -from typing import Optional +from typing import Any, Optional, Tuple import lightning import psutil import torch from torch.utils.data import ConcatDataset, DataLoader, Dataset, Subset, random_split -from .base_dataset import BaseDataset +from ..datasets.base_dataset import BaseDataset class DataModule(lightning.LightningDataModule): @@ -24,7 +24,7 @@ def from_dataset_name( random_state: int = DEFAULT_RANDOM_STATE, num_workers: int = DEFAULT_NUM_WORKERS, ) -> "DataModule": - from . import get_dataset_cls_by_name + from ..datasets import get_dataset_cls_by_name return cls( train_dataset=get_dataset_cls_by_name(dataset_name)(train=True), @@ -61,11 +61,19 @@ def __init__( self._random_state = random_state assert 0 <= fold_id < self.N_FOLDS, f"Fold id {fold_id} is out of range [0, {self.N_FOLDS})" self._fold_id = fold_id - self._train_dataset, self._val_dataset = self._split_train_val_dataset(train_dataset) + self._given_train_dataset = train_dataset self._test_dataset = test_dataset self._num_workers = num_workers + self._train_dataset: Optional[ConcatDataset] = None + self._val_dataset: Optional[Subset] = None - def _split_train_val_dataset(self, dataset: Dataset): + def prepare_data(self) -> None: + self._given_train_dataset.prepare_data() + self._test_dataset.prepare_data() + self._train_dataset, self._val_dataset = self._split_train_val_dataset(self._given_train_dataset) + return + + def _split_train_val_dataset(self, dataset: Dataset) -> Tuple[Any, Any]: fold_ratio = 1 / self.N_FOLDS subsets = random_split( dataset, @@ -116,11 +124,11 @@ def output_shape(self): return self.test_dataset.get_output_shape() @property - def train_dataset(self) -> ConcatDataset: + def train_dataset(self) -> Optional[ConcatDataset]: return self._train_dataset @property - def val_dataset(self) -> Subset: + def val_dataset(self) -> Optional[Subset]: return self._val_dataset @property diff --git a/src/matchcake_opt/datamodules/maxcut_datamodule.py b/src/matchcake_opt/datamodules/maxcut_datamodule.py new file mode 100644 index 0000000..220047e --- /dev/null +++ b/src/matchcake_opt/datamodules/maxcut_datamodule.py @@ -0,0 +1,97 @@ +import argparse +from copy import deepcopy +from typing import Optional + +from torch_geometric.loader import DataLoader + +from ..datasets.maxcut_dataset import MaxcutDataset +from .datamodule import DataModule + + +class MaxcutDataModule(DataModule): + @classmethod + def add_specific_args(cls, parent_parser: Optional[argparse.ArgumentParser] = None) -> argparse.ArgumentParser: + if parent_parser is None: + parent_parser = argparse.ArgumentParser() + parser = parent_parser.add_argument_group(f"{cls.__name__} Arguments") + return parent_parser + + @classmethod + def from_dataset_name( + cls, + dataset_name: str, + fold_id: int, + batch_size: int = 0, + random_state: int = 0, + num_workers: int = 0, + ) -> "DataModule": + raise NotImplementedError("MaxcutDataModule does not support from_dataset_name method.") # pragma: no cover + + def __init__( + self, + train_dataset: MaxcutDataset, + test_dataset: Optional[MaxcutDataset] = None, + ): + if test_dataset is None: + test_dataset = deepcopy(train_dataset) + train_dataset.train = False + super().__init__( + train_dataset=train_dataset, + test_dataset=test_dataset, + fold_id=0, + batch_size=1, + random_state=0, + num_workers=0, + ) + + def _split_train_val_dataset(self, dataset: MaxcutDataset): # type: ignore + return dataset, None + + def train_dataloader(self): + return DataLoader( + self.train_dataset, + batch_size=self._batch_size, + shuffle=False, + num_workers=self._num_workers, + persistent_workers=self._num_workers > 0, + pin_memory=True, + ) + + def val_dataloader(self): + return DataLoader( + self.train_dataset, + batch_size=self._batch_size, + shuffle=False, + num_workers=self._num_workers, + persistent_workers=self._num_workers > 0, + pin_memory=True, + ) + + def test_dataloader(self): + return DataLoader( + self.test_dataset, + batch_size=self._batch_size, + num_workers=self._num_workers, + persistent_workers=self._num_workers > 0, + pin_memory=True, + ) + + @property + def input_shape(self): + return self.test_dataset.get_input_shape() + + @property + def output_shape(self): + return self.test_dataset.get_output_shape() + + @property + def train_dataset(self) -> MaxcutDataset: # type: ignore + return self._train_dataset # type: ignore + + @property + def val_dataset(self): + return self._val_dataset + + @property + def test_dataset(self) -> MaxcutDataset: # type: ignore + return self._test_dataset # type: ignore diff --git a/src/matchcake_opt/datasets/__init__.py b/src/matchcake_opt/datasets/__init__.py index ca9904e..5f2803f 100644 --- a/src/matchcake_opt/datasets/__init__.py +++ b/src/matchcake_opt/datasets/__init__.py @@ -3,10 +3,10 @@ from ..utils import get_all_subclasses from .base_dataset import BaseDataset from .cifar10_dataset import Cifar10Dataset -from .datamodule import DataModule from .digits2d import Digits2D from .mnist_dataset import MNISTDataset from .pathmnist_dataset import PathMNISTDataset +from .retinamnist_dataset import RetinaMNISTDataset dataset_name_to_type_map: Dict[str, Type[BaseDataset]] = { _cls.DATASET_NAME: _cls diff --git a/src/matchcake_opt/datasets/base_dataset.py b/src/matchcake_opt/datasets/base_dataset.py index a05b91e..b2ca936 100644 --- a/src/matchcake_opt/datasets/base_dataset.py +++ b/src/matchcake_opt/datasets/base_dataset.py @@ -11,6 +11,7 @@ def __init__(self, data_dir: Union[str, Path] = Path("./data/") / DATASET_NAME, self._data_dir = Path(data_dir) self._data_dir.mkdir(parents=True, exist_ok=True) self._train = train + self._kwargs = kwargs def __getitem__(self, item): raise NotImplementedError() @@ -18,6 +19,9 @@ def __getitem__(self, item): def __len__(self): raise NotImplementedError() + def prepare_data(self): + return + def get_input_shape(self) -> tuple: return tuple(self[0][0].shape) # pragma: no cover diff --git a/src/matchcake_opt/datasets/cifar10_dataset.py b/src/matchcake_opt/datasets/cifar10_dataset.py index 2991141..f8d4fce 100644 --- a/src/matchcake_opt/datasets/cifar10_dataset.py +++ b/src/matchcake_opt/datasets/cifar10_dataset.py @@ -2,10 +2,8 @@ from typing import Sequence, Union import torch -from torchvision import transforms from torchvision.datasets import CIFAR10 -from torchvision.transforms import ToTensor -from torchvision.transforms.v2 import Compose +from torchvision.transforms import v2 from .base_dataset import BaseDataset @@ -13,27 +11,25 @@ class Cifar10Dataset(BaseDataset): DATASET_NAME = "Cifar10" - @staticmethod - def to_long_tensor(y: Sequence[int]) -> torch.Tensor: - return torch.tensor(y, dtype=torch.long) - def __init__(self, data_dir: Union[str, Path] = Path("./data/") / DATASET_NAME, train: bool = True, **kwargs): super().__init__(data_dir, train, **kwargs) self._data = CIFAR10( self.data_dir, train=self.train, download=True, - transform=Compose( + transform=v2.Compose( [ - ToTensor(), - transforms.Normalize(0.0, 1.0), + v2.ToImage(), + v2.ToDtype(torch.float32, scale=True), + v2.Normalize((0.32768, 0.32768, 0.32768), (0.27755, 0.2693, 0.26812)), + # TODO: Add a param to add other transforms? # transforms.RandomCrop(32, pad_if_needed=True), # Randomly crop a 32x32 patch # transforms.RandomHorizontalFlip(), # Randomly flip horizontally # transforms.RandomRotation(10), # Randomly rotate up to 10 degrees # transforms.GaussianBlur(kernel_size=5, sigma=(0.1, 2.0)), ] ), - target_transform=Compose([self.to_long_tensor]), + target_transform=v2.Compose([v2.ToDtype(torch.long)]), ) def __getitem__(self, item): diff --git a/src/matchcake_opt/datasets/maxcut_dataset.py b/src/matchcake_opt/datasets/maxcut_dataset.py new file mode 100644 index 0000000..be2558b --- /dev/null +++ b/src/matchcake_opt/datasets/maxcut_dataset.py @@ -0,0 +1,113 @@ +from pathlib import Path +from typing import Literal, Optional, Union + +import networkx as nx +import torch +from torch_geometric.data import Data +from torch_geometric.utils import from_networkx + +from .base_dataset import BaseDataset + + +class MaxcutDataset(BaseDataset): + DATASET_NAME = "Maxcut" + GRAPH_TYPES_TO_PARAMS = { + "regular": ["d"], + "erdos_renyi": ["p"], + "circular": [], + } + + def __init__( + self, + n_nodes: int, + graph_type: Literal["regular", "erdos_renyi", "circular"], + seed: int = 0, + data_dir: Union[str, Path] = Path("./data/") / DATASET_NAME, + train: bool = True, + **kwargs, + ): + super().__init__(data_dir, train=train, **kwargs) + self._n_nodes = n_nodes + self._graph_type = graph_type + self._seed = seed + self._verify_graph_params(self._graph_type, **kwargs) + self._nx_graph: Optional[nx.Graph] = None + self._data: Optional[Data] = None + self._built_flag = False + + def _verify_graph_params(self, graph_type: str, **graph_params): + expected_params = self.GRAPH_TYPES_TO_PARAMS.get(graph_type) + if expected_params is None: + raise ValueError(f"Unsupported graph type: {graph_type}") + missing_params = [param for param in expected_params if param not in graph_params] + if missing_params: + raise ValueError(f"Missing parameters for graph type '{graph_type}': {', '.join(missing_params)}") + + def prepare_data(self) -> None: + if self._graph_type == "regular": + self._nx_graph = self._build_regular_graph() + elif self._graph_type == "erdos_renyi": + self._nx_graph = self._build_erdos_renyi_graph() + elif self._graph_type == "circular": + self._nx_graph = self._build_circular_graph() + else: + raise ValueError(f"Unsupported graph type: {self._graph_type}") # pragma: no cover + self._data = from_networkx(self._nx_graph) + self._data.y = torch.tensor([self._get_lower_energy_bound(), self._get_upper_n_cut_bound()], dtype=torch.float) + self._built_flag = True + return + + def __getitem__(self, item): + if not self._built_flag: + self.prepare_data() # pragma: no cover + return self._data + + def __len__(self): + return 1 + + def get_input_shape(self) -> tuple: + return (self._n_nodes,) + + def get_output_shape(self) -> tuple: + return (1,) + + def _build_regular_graph(self) -> nx.Graph: + return nx.random_regular_graph(self._kwargs["d"], self._n_nodes, seed=self._seed) + + def _build_erdos_renyi_graph(self) -> nx.Graph: + return nx.erdos_renyi_graph(self._n_nodes, self._kwargs["p"], seed=self._seed) + + def _build_circular_graph(self) -> nx.Graph: + return nx.circulant_graph(self._n_nodes, [1]) + + def _get_lower_energy_bound(self) -> float: + r""" + Returns a lower bound on the energy of the Max-Cut problem for the current graph. + ... Math:: + E_{min} >= \sum_{(i,j) \in E} -w_{ij} + """ + if self._nx_graph is None: + raise ValueError("Graph has not been built yet.") # pragma: no cover + weights = nx.get_edge_attributes(self._nx_graph, "weight") + lower_bound = -sum(weights.values()) if weights else -self._nx_graph.number_of_edges() + return lower_bound + + def _get_upper_n_cut_bound(self) -> float: + r""" + Returns an upper bound on the number of cuts of the Max-Cut problem for the current graph. + ... Math:: + C_{max} <= \sum_{(i,j) \in E} w_{ij} + """ + if self._nx_graph is None: + raise ValueError("Graph has not been built yet.") # pragma: no cover + weights = nx.get_edge_attributes(self._nx_graph, "weight") + upper_bound = sum(weights.values()) if weights else self._nx_graph.number_of_edges() + return upper_bound + + @property + def train(self) -> bool: + return self._train + + @train.setter + def train(self, value: bool): + self._train = value diff --git a/src/matchcake_opt/datasets/mnist_dataset.py b/src/matchcake_opt/datasets/mnist_dataset.py index 778ebc0..8e36393 100644 --- a/src/matchcake_opt/datasets/mnist_dataset.py +++ b/src/matchcake_opt/datasets/mnist_dataset.py @@ -4,8 +4,7 @@ import torch from torchvision import transforms from torchvision.datasets import MNIST -from torchvision.transforms import ToTensor -from torchvision.transforms.v2 import Compose +from torchvision.transforms import v2 from .base_dataset import BaseDataset @@ -13,28 +12,25 @@ class MNISTDataset(BaseDataset): DATASET_NAME = "MNIST" - @staticmethod - def to_long_tensor(y: Sequence[int]) -> torch.Tensor: - """Convert a Sequence of integers to a long tensor.""" - return torch.tensor(y, dtype=torch.long) - def __init__(self, data_dir: Union[str, Path] = Path("./data/") / DATASET_NAME, train: bool = True, **kwargs): super().__init__(data_dir, train, **kwargs) self._data = MNIST( self.data_dir, train=self.train, download=True, - transform=Compose( + transform=v2.Compose( [ - ToTensor(), - transforms.Normalize(0.0, 1.0), + v2.ToImage(), + v2.ToDtype(torch.float32, scale=True), + v2.Normalize((0.13066,), (0.30811,)), + # TODO: Add a param to add other transforms? # transforms.RandomCrop(32, pad_if_needed=True), # Randomly crop a 32x32 patch # transforms.RandomHorizontalFlip(), # Randomly flip horizontally # transforms.RandomRotation(10), # Randomly rotate up to 10 degrees # transforms.GaussianBlur(kernel_size=5, sigma=(0.1, 2.0)), ] ), - target_transform=Compose([self.to_long_tensor]), + target_transform=v2.Compose([v2.ToDtype(torch.long)]), ) def __getitem__(self, item): diff --git a/src/matchcake_opt/datasets/pathmnist_dataset.py b/src/matchcake_opt/datasets/pathmnist_dataset.py index feb19f3..70a231f 100644 --- a/src/matchcake_opt/datasets/pathmnist_dataset.py +++ b/src/matchcake_opt/datasets/pathmnist_dataset.py @@ -5,9 +5,7 @@ import torch from medmnist import PathMNIST from torch.utils.data import ConcatDataset -from torchvision import transforms -from torchvision.transforms import ToTensor -from torchvision.transforms.v2 import Compose +from torchvision.transforms import v2 from .base_dataset import BaseDataset @@ -19,19 +17,16 @@ class PathMNISTDataset(BaseDataset): def to_scalar_tensor(y: Sequence[int]): return torch.tensor(y).item() - @staticmethod - def to_long_tensor(y: Sequence[int]) -> torch.Tensor: - return torch.tensor(y, dtype=torch.long) - def __init__(self, data_dir: Union[str, Path] = Path("./data/") / DATASET_NAME, train: bool = True, **kwargs): super().__init__(data_dir, train, **kwargs) - transform = Compose( + transform = v2.Compose( [ - ToTensor(), - transforms.Normalize(0.0, 1.0), + v2.ToImage(), + v2.ToDtype(torch.float32, scale=True), + v2.Normalize((0.23778, 0.23778, 0.23778), (0.35807, 0.3089, 0.35218)), ] ) - target_transform = Compose([self.to_scalar_tensor, self.to_long_tensor]) + target_transform = v2.Compose([self.to_scalar_tensor, v2.ToDtype(torch.long)]) self._data = PathMNIST( root=self.data_dir, split="train" if self.train else "test", diff --git a/src/matchcake_opt/datasets/retinamnist_dataset.py b/src/matchcake_opt/datasets/retinamnist_dataset.py new file mode 100644 index 0000000..4747488 --- /dev/null +++ b/src/matchcake_opt/datasets/retinamnist_dataset.py @@ -0,0 +1,51 @@ +from pathlib import Path +from typing import Sequence, Union + +import numpy as np +import torch +from medmnist import RetinaMNIST +from torch.utils.data import ConcatDataset +from torchvision.transforms import v2 + +from .base_dataset import BaseDataset + + +class RetinaMNISTDataset(BaseDataset): + DATASET_NAME = "RetinaMNIST" + + @staticmethod + def to_scalar_tensor(y: Sequence[int]): + return torch.tensor(y).item() + + def __init__(self, data_dir: Union[str, Path] = Path("./data/") / DATASET_NAME, train: bool = True, **kwargs): + super().__init__(data_dir, train, **kwargs) + transform = v2.Compose( + [ + v2.ToImage(), + v2.ToDtype(torch.float32, scale=True), + v2.Normalize((0.39862, 0.24519, 0.15615), (0.29827, 0.20057, 0.15053)), + ] + ) + target_transform = v2.Compose([self.to_scalar_tensor, v2.ToDtype(torch.long)]) + self._data = RetinaMNIST( + root=self.data_dir, + split="train" if self.train else "test", + download=True, + transform=transform, + target_transform=target_transform, + ) + self._n_classes = np.unique(self._data.labels).size + if self.train: + val_dataset = RetinaMNIST( + root=self.data_dir, split="val", download=True, transform=transform, target_transform=target_transform + ) + self._data = ConcatDataset([self._data, val_dataset]) + + def __getitem__(self, item): + return self._data[item] + + def __len__(self): + return len(self._data) + + def get_output_shape(self) -> tuple: + return (self._n_classes,) diff --git a/src/matchcake_opt/modules/base_model.py b/src/matchcake_opt/modules/base_model.py index 19ee05f..79de973 100644 --- a/src/matchcake_opt/modules/base_model.py +++ b/src/matchcake_opt/modules/base_model.py @@ -111,7 +111,6 @@ def predict(self, x: torch.Tensor) -> torch.Tensor: self.eval() with torch.no_grad(): output = self(x) - output = torch.softmax(output, dim=1) return output def on_train_epoch_start(self) -> None: diff --git a/src/matchcake_opt/modules/maxcut_model.py b/src/matchcake_opt/modules/maxcut_model.py new file mode 100644 index 0000000..1417d4f --- /dev/null +++ b/src/matchcake_opt/modules/maxcut_model.py @@ -0,0 +1,78 @@ +from collections import Counter +from typing import Sequence + +import numpy as np +import torch +from matchcake.utils.torch_utils import to_numpy +from torch_geometric.data import Data +from torchmetrics import MetricCollection + +from .base_model import BaseModel + + +class MaxcutModel(BaseModel): + MODEL_NAME = "MaxcutModel" + + def __init__( + self, + input_shape: tuple[int, ...], + output_shape: tuple[int, ...], + optimizer: str = BaseModel.DEFAULT_OPTIMIZER, + learning_rate: float = BaseModel.DEFAULT_LEARNING_RATE, + **kwargs, + ): + super().__init__( + input_shape=input_shape, + output_shape=output_shape, + optimizer=optimizer, + learning_rate=learning_rate, + **kwargs, + ) + self.train_loss = torch.nn.Identity() + self.val_loss = torch.nn.Identity() + + def configure_metrics(self) -> MetricCollection: + return MetricCollection([], prefix="train_") + + def sample(self, x) -> torch.Tensor: + raise NotImplementedError( + "Child classes must implement the sample method that generates the cut solution." + ) # pragma: no cover + + def training_step(self, batch: Data, batch_idx): + inputs = batch + output = self(inputs) + loss = self.train_loss(output) + with torch.no_grad(): + self.log("train_loss", loss.detach().cpu(), prog_bar=True) + self.train_metrics.update(inputs, output) + return loss + + def validation_step(self, batch: Data, batch_idx): + inputs = batch + with torch.no_grad(): + output = self(inputs) + loss = self.val_loss(output) + self.log(f"val_loss", loss, prog_bar=True) + self.val_metrics.update(inputs, output) + return loss + + def test_step(self, batch: Data, batch_idx): + inputs = batch + with torch.no_grad(): + output = self(inputs) + loss = self.val_loss(output) + self.log(f"test_loss", loss, prog_bar=True) + self.test_metrics.update(inputs, output) + return loss + + def predict(self, x: torch.Tensor) -> torch.Tensor: + """ + Predicts the output for the given input tensor. + :param x: Input tensor. + :return: Output tensor. + """ + self.eval() + with torch.no_grad(): + samples = self.sample(x) + return samples diff --git a/src/matchcake_opt/tr_pipeline/automl_pipeline.py b/src/matchcake_opt/tr_pipeline/automl_pipeline.py index e933431..c395d8f 100644 --- a/src/matchcake_opt/tr_pipeline/automl_pipeline.py +++ b/src/matchcake_opt/tr_pipeline/automl_pipeline.py @@ -9,10 +9,11 @@ import numpy as np import pythonbasictools as pbt from ax.api.client import Client +from ax.exceptions.core import SearchSpaceExhausted from pythonbasictools.collections_tools import list_insert_replace_at, ravel_dict from tqdm import tqdm -from ..datasets.datamodule import DataModule +from ..datamodules.datamodule import DataModule from ..modules.base_model import BaseModel from .lightning_pipeline import LightningPipeline @@ -89,7 +90,12 @@ def __init__( ) self.pipeline_args = pipeline_args self.history: List[Dict[str, Any]] = [] - if not self.automl_overwrite_fit: + if self.automl_overwrite_fit: + try: + shutil.rmtree(self.checkpoint_folder) + except Exception: + pass + else: self.maybe_load() def __getstate__(self): @@ -146,7 +152,10 @@ def __call__(self, params, idx): def run(self): p_bar = tqdm(initial=len(self.history), total=self.automl_iterations, desc="AutoML iterations") for iteration in range(p_bar.n, p_bar.total): - trials = self.client.get_next_trials(max_trials=1) + try: + trials = self.client.get_next_trials(max_trials=1) + except SearchSpaceExhausted: + break for trial_index, parameters in trials.items(): new_y = self(parameters, iteration) self.client.complete_trial(trial_index, {self.monitor: new_y[self.monitor]}) diff --git a/src/matchcake_opt/tr_pipeline/lightning_pipeline.py b/src/matchcake_opt/tr_pipeline/lightning_pipeline.py index f42b262..2a4b0c3 100644 --- a/src/matchcake_opt/tr_pipeline/lightning_pipeline.py +++ b/src/matchcake_opt/tr_pipeline/lightning_pipeline.py @@ -12,7 +12,7 @@ from lightning.pytorch.loggers import TensorBoardLogger from lightning.pytorch.profilers import SimpleProfiler -from ..datasets.datamodule import DataModule +from ..datamodules.datamodule import DataModule from ..modules.base_model import BaseModel from ..utils.model_checkpoint import ModelCheckpoint from ..utils.progress_bar import EpochProgressBar @@ -125,22 +125,33 @@ def run(self) -> Dict[str, Any]: def run_validation(self) -> Dict[str, Any]: start_time = time.perf_counter() - metrics: Dict[str, Any] = self.trainer.validate( # type: ignore - model=self.model, - datamodule=self.datamodule, - verbose=self.verbose, - ckpt_path="best", - )[0] + try: + metrics: List[Dict[str, Any]] = self.trainer.validate( # type: ignore + model=self.model, + datamodule=self.datamodule, + verbose=self.verbose, + ckpt_path="best", + ) + except ValueError: + metrics: List[Dict[str, Any]] = self.trainer.validate( # type: ignore + model=self.model, + datamodule=self.datamodule, + verbose=self.verbose, + ckpt_path="last", + ) + if len(metrics) == 0: + return {} + metrics_0: Dict[str, Any] = metrics[0] end_time = time.perf_counter() - metrics["validation_time"] = end_time - start_time - return metrics + metrics_0["validation_time"] = end_time - start_time + return metrics_0 - def run_test(self) -> Dict[str, Any]: + def run_test(self, ckpt_path="best") -> Dict[str, Any]: start_time = time.perf_counter() metrics: Dict[str, Any] = self.trainer.test( # type: ignore model=self.model, datamodule=self.datamodule, - ckpt_path="best", + ckpt_path=ckpt_path, )[0] end_time = time.perf_counter() metrics["test_time"] = end_time - start_time diff --git a/tests/test_datamodules/__init__.py b/tests/test_datamodules/__init__.py new file mode 100644 index 0000000..e69de29 diff --git a/tests/test_datasets/test_datamodule.py b/tests/test_datamodules/test_datamodule.py similarity index 94% rename from tests/test_datasets/test_datamodule.py rename to tests/test_datamodules/test_datamodule.py index 2865baa..ef53867 100644 --- a/tests/test_datasets/test_datamodule.py +++ b/tests/test_datamodules/test_datamodule.py @@ -5,7 +5,7 @@ import pytest from torch.utils.data import DataLoader -from matchcake_opt.datasets.datamodule import DataModule +from matchcake_opt.datamodules.datamodule import DataModule from matchcake_opt.datasets.digits2d import Digits2D @@ -16,6 +16,7 @@ def datamodule_instance(self, monkeypatch): monkeypatch.setattr("matchcake_opt.datasets.digits2d.load_digits", mock) mock.return_value = (np.zeros((10, 8 * 8)), np.zeros((10,), dtype=int)) datamodule = DataModule.from_dataset_name("digits2d", 0) + datamodule.prepare_data() return datamodule def test_from_dataset_name(self, monkeypatch): diff --git a/tests/test_datamodules/test_maxcut_datamodule.py b/tests/test_datamodules/test_maxcut_datamodule.py new file mode 100644 index 0000000..a408372 --- /dev/null +++ b/tests/test_datamodules/test_maxcut_datamodule.py @@ -0,0 +1,35 @@ +import argparse + +import pytest +from torch_geometric.loader import DataLoader + +from matchcake_opt.datamodules.maxcut_datamodule import MaxcutDataModule +from matchcake_opt.datasets.maxcut_dataset import MaxcutDataset + + +class TestMaxcutDataModule: + @pytest.fixture + def datamodule_instance(self): + dataset = MaxcutDataset(4, "regular", d=3) + datamodule = MaxcutDataModule(dataset) + datamodule.prepare_data() + return datamodule + + def test_add_specific_args(self): + parser = MaxcutDataModule.add_specific_args() + assert isinstance(parser, argparse.ArgumentParser) + + def test_split_train_val_dataset(self, datamodule_instance): + assert datamodule_instance._split_train_val_dataset(datamodule_instance.train_dataset) == ( + datamodule_instance.train_dataset, + None, + ) + + def test_train_dataloader(self, datamodule_instance): + assert isinstance(datamodule_instance.train_dataloader(), DataLoader) + + def test_val_dataloader(self, datamodule_instance): + assert isinstance(datamodule_instance.val_dataloader(), DataLoader) + + def test_test_dataloader(self, datamodule_instance): + assert isinstance(datamodule_instance.test_dataloader(), DataLoader) diff --git a/tests/test_datasets/test_cifar10_dataset.py b/tests/test_datasets/test_cifar10_dataset.py index 2163a76..b3de415 100644 --- a/tests/test_datasets/test_cifar10_dataset.py +++ b/tests/test_datasets/test_cifar10_dataset.py @@ -40,11 +40,6 @@ def test_getitem(self, cifar10_mock, data_dir): assert datum[1].dtype == torch.long cifar10_mock.__getitem__.assert_called_once_with(0) - def test_to_long_tensor(self): - x = torch.zeros(0, dtype=torch.int) - y = Cifar10Dataset.to_long_tensor(x) - assert y.dtype == torch.long - def test_len(self, cifar10_mock, data_dir): dataset = Cifar10Dataset(data_dir=data_dir, train=True) assert len(dataset) == self.MOCK_LEN diff --git a/tests/test_datasets/test_maxcut_dataset.py b/tests/test_datasets/test_maxcut_dataset.py new file mode 100644 index 0000000..4e4d154 --- /dev/null +++ b/tests/test_datasets/test_maxcut_dataset.py @@ -0,0 +1,54 @@ +import pytest +from torch_geometric.data import Data + +from matchcake_opt.datasets.maxcut_dataset import MaxcutDataset + + +@pytest.mark.parametrize( + "graph_type, graph_params", + [ + ("circular", {"n_nodes": 3}), + ("erdos_renyi", {"n_nodes": 3, "p": 0.2}), + ("regular", {"n_nodes": 4, "d": 3}), + ], +) +class TestMaxcutDataset: + @pytest.fixture + def dataset(self, graph_type, graph_params): + dataset = MaxcutDataset(graph_type=graph_type, **graph_params) + dataset.prepare_data() + return dataset + + def test_prepare_data(self, graph_type, graph_params): + dataset = MaxcutDataset(graph_type=graph_type, **graph_params) + dataset.prepare_data() + assert dataset._built_flag + assert isinstance(dataset._data, Data) + + def test_getitem(self, dataset): + assert isinstance(dataset[0], Data) + + def test_len(self, dataset): + assert len(dataset) == 1 + + @pytest.mark.parametrize("n_nodes", [4, 6, 8]) + def test_get_input_shape(self, n_nodes, graph_type, graph_params): + graph_params["n_nodes"] = n_nodes + dataset = MaxcutDataset(graph_type=graph_type, **graph_params) + dataset.prepare_data() + assert dataset.get_input_shape() == (n_nodes,) + + def test_train_setter(self, dataset): + assert dataset.train + dataset.train = False + assert not dataset.train + + def test_verify_graph_params(self, graph_type, graph_params): + if len(graph_params) > 1: + with pytest.raises(ValueError): + MaxcutDataset(4, graph_type=graph_type) + else: + MaxcutDataset(4, graph_type=graph_type) + + def test_output_shape(self, dataset): + assert dataset.get_output_shape() == (1,) diff --git a/tests/test_datasets/test_mnist_dataset.py b/tests/test_datasets/test_mnist_dataset.py index 73b84ea..35cae30 100644 --- a/tests/test_datasets/test_mnist_dataset.py +++ b/tests/test_datasets/test_mnist_dataset.py @@ -43,11 +43,6 @@ def test_getitem(self, data_mock, dataset_instance): assert datum[1].dtype == torch.long data_mock.__getitem__.assert_called_once_with(0) - def test_to_long_tensor(self, dataset_instance): - x = torch.zeros(0, dtype=torch.int) - y = dataset_instance.to_long_tensor(x) - assert y.dtype == torch.long - def test_len(self, dataset_instance): assert len(dataset_instance) == self.MOCK_LEN diff --git a/tests/test_datasets/test_pathmnist_dataset.py b/tests/test_datasets/test_pathmnist_dataset.py index e701518..9ebf4b3 100644 --- a/tests/test_datasets/test_pathmnist_dataset.py +++ b/tests/test_datasets/test_pathmnist_dataset.py @@ -46,11 +46,6 @@ def test_getitem(self, data_mock, dataset_instance): assert datum[1].dtype == torch.long data_mock.__getitem__.assert_called_once_with(0) - def test_to_long_tensor(self, dataset_instance): - x = torch.zeros(0, dtype=torch.int) - y = dataset_instance.to_long_tensor(x) - assert y.dtype == torch.long - def test_len(self, dataset_instance): assert len(dataset_instance) == self.MOCK_LEN diff --git a/tests/test_datasets/test_retinamnist_dataset.py b/tests/test_datasets/test_retinamnist_dataset.py new file mode 100644 index 0000000..06b3861 --- /dev/null +++ b/tests/test_datasets/test_retinamnist_dataset.py @@ -0,0 +1,58 @@ +import shutil +from pathlib import Path +from unittest.mock import MagicMock + +import numpy as np +import pytest +import torch + +from matchcake_opt.datasets.retinamnist_dataset import RetinaMNISTDataset + + +class TestRetinaMNISTDataset: + MOCK_LEN = 10 + + @pytest.fixture(scope="class") + def data_dir(self): + path = Path(".tmp") / "data_dir" / "retinamnist" + yield path + shutil.rmtree(path, ignore_errors=True) + + @pytest.fixture + def data_mock(self, monkeypatch): + cls_mock = MagicMock() + monkeypatch.setattr("matchcake_opt.datasets.retinamnist_dataset.RetinaMNIST", cls_mock) + mock = MagicMock() + cls_mock.return_value = mock + mock.__getitem__.return_value = (torch.zeros(3, 28, 28), torch.zeros(1).long()) + mock.__len__.return_value = self.MOCK_LEN + mock.labels = np.arange(5) + monkeypatch.setattr("matchcake_opt.datasets.retinamnist_dataset.ConcatDataset", lambda *x: mock) + return mock + + @pytest.fixture + def dataset_instance(self, data_mock, data_dir): + return RetinaMNISTDataset(data_dir=data_dir, train=True) + + def test_init(self, data_mock, data_dir): + dataset = RetinaMNISTDataset(data_dir=data_dir, train=True) + assert dataset._data == data_mock + + def test_getitem(self, data_mock, dataset_instance): + datum = dataset_instance[0] + assert isinstance(datum, tuple) + assert isinstance(datum[0], torch.Tensor) + assert isinstance(datum[1], torch.Tensor) + assert datum[1].dtype == torch.long + data_mock.__getitem__.assert_called_once_with(0) + + def test_len(self, dataset_instance): + assert len(dataset_instance) == self.MOCK_LEN + + def test_output_shape(self, dataset_instance): + assert dataset_instance.get_output_shape() == (5,) + + def test_to_scalar_tensor(self, dataset_instance): + x = torch.tensor([1]) + y = dataset_instance.to_scalar_tensor(x) + assert isinstance(y, int) diff --git a/tests/test_modules/test_maxcut_model.py b/tests/test_modules/test_maxcut_model.py new file mode 100644 index 0000000..e363b7e --- /dev/null +++ b/tests/test_modules/test_maxcut_model.py @@ -0,0 +1,47 @@ +from unittest.mock import MagicMock + +import pytest +import torch +from torchmetrics import MetricCollection + +from matchcake_opt import DataModule +from matchcake_opt.datasets.maxcut_dataset import MaxcutDataset +from matchcake_opt.modules.maxcut_model import MaxcutModel + + +class TestMaxcutModel: + @pytest.fixture + def model_instance(self): + model = MaxcutModel((4,), (1,)) + model.parameters = MagicMock() + param = torch.nn.Parameter(torch.Tensor([1])) + model.parameters.return_value = [param] + model.forward = MagicMock() + model.forward.return_value = param * torch.ones(model.output_shape) + model.sample = MagicMock() + model.sample.return_value = torch.ones(model.input_shape) + return model + + @pytest.fixture + def sample_batch(self): + dataset = MaxcutDataset(4, "regular", d=3) + return dataset[0] + + def test_configure_metrics(self, model_instance): + assert isinstance(model_instance.configure_metrics(), MetricCollection) + + def test_training_step(self, model_instance, sample_batch): + model_instance.training_step(sample_batch, 0) + model_instance.forward.assert_called_once() + + def test_validation_step(self, model_instance, sample_batch): + model_instance.validation_step(sample_batch, 0) + model_instance.forward.assert_called_once() + + def test_test_step(self, model_instance, sample_batch): + model_instance.test_step(sample_batch, 0) + model_instance.forward.assert_called_once() + + def test_predict(self, model_instance, sample_batch): + model_instance.predict(sample_batch) + model_instance.sample.assert_called_once() diff --git a/tests/test_tr_pipeline/test_automl_pipeline.py b/tests/test_tr_pipeline/test_automl_pipeline.py index 3afdb0b..e201acc 100644 --- a/tests/test_tr_pipeline/test_automl_pipeline.py +++ b/tests/test_tr_pipeline/test_automl_pipeline.py @@ -7,7 +7,7 @@ import pytest import torch -from matchcake_opt.datasets.datamodule import DataModule +from matchcake_opt.datamodules.datamodule import DataModule from matchcake_opt.modules.classification_model import ClassificationModel from matchcake_opt.tr_pipeline.automl_pipeline import AutoMLPipeline from matchcake_opt.tr_pipeline.lightning_pipeline import LightningPipeline diff --git a/tests/test_tr_pipeline/test_lightning_pipeline.py b/tests/test_tr_pipeline/test_lightning_pipeline.py index 1704009..7f3c41a 100644 --- a/tests/test_tr_pipeline/test_lightning_pipeline.py +++ b/tests/test_tr_pipeline/test_lightning_pipeline.py @@ -7,7 +7,7 @@ import pytest import torch -from matchcake_opt.datasets.datamodule import DataModule +from matchcake_opt.datamodules.datamodule import DataModule from matchcake_opt.modules.classification_model import ClassificationModel from matchcake_opt.tr_pipeline.lightning_pipeline import LightningPipeline diff --git a/uv.lock b/uv.lock index 7a85e99..63dc3ce 100644 --- a/uv.lock +++ b/uv.lock @@ -2,28 +2,35 @@ version = 1 revision = 3 requires-python = ">=3.10, <3.13" resolution-markers = [ - "(python_full_version >= '3.12' and platform_machine != 'aarch64' and extra != 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (python_full_version >= '3.12' and platform_python_implementation != 'CPython' and extra != 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (python_full_version >= '3.12' and sys_platform != 'linux' and extra != 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128')", - "python_full_version >= '3.12' and platform_machine == 'aarch64' and platform_python_implementation == 'CPython' and sys_platform == 'linux' and extra != 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128'", - "(python_full_version == '3.11.*' and platform_machine != 'aarch64' and extra != 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (python_full_version == '3.11.*' and platform_python_implementation != 'CPython' and extra != 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'extra-13-matchcake-opt-cu130')", + "python_full_version >= '3.12' and platform_machine == 'aarch64' and platform_python_implementation == 'CPython' and sys_platform == 'linux' and extra != 'extra-13-matchcake-opt-cpu' and extra != 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130'", + "(python_full_version == '3.11.*' and platform_machine != 'aarch64' and extra != 'extra-13-matchcake-opt-cpu' and extra != 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130') or (python_full_version == '3.11.*' and platform_python_implementation != 'CPython' and extra != 'extra-13-matchcake-opt-cpu' and extra != 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130') or (python_full_version == '3.11.*' and sys_platform != 'linux' and extra != 'extra-13-matchcake-opt-cpu' and extra != 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130')", + "python_full_version == '3.11.*' and platform_machine == 'aarch64' and platform_python_implementation == 'CPython' and sys_platform == 'linux' and extra != 'extra-13-matchcake-opt-cpu' and extra != 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130'", + "(python_full_version < '3.11' and platform_machine != 'aarch64' and extra != 'extra-13-matchcake-opt-cpu' and extra != 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130') or (python_full_version < '3.11' and platform_python_implementation != 'CPython' and extra != 'extra-13-matchcake-opt-cpu' and extra != 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130') or (python_full_version < '3.11' and sys_platform != 'linux' and extra != 'extra-13-matchcake-opt-cpu' and extra != 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130')", + "python_full_version < '3.11' and platform_machine == 'aarch64' and platform_python_implementation == 'CPython' and sys_platform == 'linux' and extra != 'extra-13-matchcake-opt-cpu' and extra != 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130'", + "(python_full_version >= '3.12' and platform_machine != 'aarch64' and extra != 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128' and extra != 'extra-13-matchcake-opt-cu130') or (python_full_version >= '3.12' and platform_python_implementation != 'CPython' and extra != 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128' and extra != 'extra-13-matchcake-opt-cu130') or (python_full_version >= '3.12' and sys_platform != 'linux' and extra != 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128' and extra != 'extra-13-matchcake-opt-cu130')", + "python_full_version >= '3.12' and platform_machine == 'aarch64' and platform_python_implementation == 'CPython' and sys_platform == 'linux' and extra != 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128' and extra != 'extra-13-matchcake-opt-cu130'", + "(python_full_version == 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extra != 'extra-13-matchcake-opt-cu128' and extra != 'extra-13-matchcake-opt-cu130'", + "python_full_version < '3.11' and sys_platform == 'darwin' and extra == 'extra-13-matchcake-opt-cpu' and extra != 'extra-13-matchcake-opt-cu128' and extra != 'extra-13-matchcake-opt-cu130'", + "python_full_version >= '3.12' and extra != 'extra-13-matchcake-opt-cpu' and extra != 'extra-13-matchcake-opt-cu128' and extra != 'extra-13-matchcake-opt-cu130'", + "python_full_version == '3.11.*' and extra != 'extra-13-matchcake-opt-cpu' and extra != 'extra-13-matchcake-opt-cu128' and extra != 'extra-13-matchcake-opt-cu130'", + "python_full_version < '3.11' and extra != 'extra-13-matchcake-opt-cpu' and extra != 'extra-13-matchcake-opt-cu128' and extra != 'extra-13-matchcake-opt-cu130'", ] conflicts = [[ { package = "matchcake-opt", extra = "cpu" }, { package = "matchcake-opt", extra = "cu128" }, + { package = "matchcake-opt", extra = "cu130" }, ]] [[package]] @@ -60,7 +67,7 @@ source = { registry = "https://pypi.org/simple" } dependencies = [ { name = "aiohappyeyeballs" }, { name = "aiosignal" }, - { name = "async-timeout", marker = "python_full_version < '3.11' or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128')" }, + { name = "async-timeout", marker = "python_full_version < '3.11' or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu130') or (extra == 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130')" }, { name = "attrs" }, { name = "frozenlist" }, { name = "multidict" }, @@ -180,7 +187,7 @@ name = "astroid" version = "4.0.1" source = { registry = "https://pypi.org/simple" } dependencies = [ - { name = "typing-extensions", marker = "python_full_version < '3.11' or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128')" }, + { name = "typing-extensions", marker = "python_full_version < '3.11' or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu130') or (extra == 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130')" }, ] sdist = { url = "https://files.pythonhosted.org/packages/a7/d1/6eee8726a863f28ff50d26c5eacb1a590f96ccbb273ce0a8c047ffb10f5a/astroid-4.0.1.tar.gz", hash = "sha256:0d778ec0def05b935e198412e62f9bcca8b3b5c39fdbe50b0ba074005e477aab", size = 405414, upload-time = "2025-10-11T15:15:42.6Z" } wheels = [ @@ -232,8 +239,8 @@ name = "autograd" version = "1.8.0" source = { registry = "https://pypi.org/simple" } dependencies = [ - { name = "numpy", version = "2.2.6", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version < '3.11' or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128')" }, - { name = "numpy", version = "2.3.3", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version >= '3.11' or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128')" }, + { name = "numpy", version = "2.2.6", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version < '3.11' or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu130') or (extra == 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130')" }, + { name = "numpy", version = "2.3.3", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version >= '3.11' or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu130') or (extra == 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130')" }, ] sdist = { url = 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'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu130') or (extra == 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130')" }, + { name = "scipy", version = "1.16.2", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version >= '3.11' or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu130') or (extra == 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130')" }, { name = "sympy" }, ] sdist = { url = "https://files.pythonhosted.org/packages/0f/0e/1563e97a9cfd13dd49bfbe645f178571d81c3193eca403c2e80f09357b5d/ax_platform-1.1.2.tar.gz", hash = "sha256:e280e8ea2c71027b5e352cb2827a164c0ab4594a58c575dd0d411083c8740a34", size = 29859873, upload-time = "2025-09-09T19:59:45.938Z" } @@ -305,8 +312,8 @@ dependencies 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"python_full_version >= '3.11' or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128')" }, + { name = "numexpr", marker = "platform_machine != 'wasm32' or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu130') or (extra == 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130')" }, + { name = "numpy", version = "2.2.6", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version < '3.11' or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu130') or (extra == 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130')" }, + { name = "numpy", version = "2.3.3", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version >= '3.11' or (extra == 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extra == 'extra-13-matchcake-opt-cu128') or (platform_python_implementation != 'CPython' and extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu130') or (platform_python_implementation != 'CPython' and extra == 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130') or (sys_platform == 'darwin' and extra == 'extra-13-matchcake-opt-cpu') or (sys_platform != 'linux' and extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (sys_platform != 'linux' and extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu130') or (sys_platform != 'linux' and extra == 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130') or (sys_platform == 'darwin' and extra == 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130') or (extra != 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130')" }, + { name = "torchvision", version = "0.22.1+cpu", source = { registry = "https://download.pytorch.org/whl/cpu" }, marker = "(platform_machine != 'aarch64' and sys_platform == 'linux' and extra == 'extra-13-matchcake-opt-cpu') or (platform_python_implementation != 'CPython' and sys_platform == 'linux' and extra == 'extra-13-matchcake-opt-cpu') or (sys_platform != 'darwin' and sys_platform != 'linux' and extra == 'extra-13-matchcake-opt-cpu') or (sys_platform == 'darwin' and extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (sys_platform == 'darwin' and extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu130') or (sys_platform == 'darwin' and extra == 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130') or (sys_platform == 'linux' and extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (sys_platform == 'linux' and extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu130') or (extra != 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130')" }, ] cu128 = [ { name = "torch", version = "2.7.1+cu128", source = { registry = "https://download.pytorch.org/whl/cu128" } }, - { name = "torchvision", version = "0.22.1", source = { registry = "https://download.pytorch.org/whl/cu128" }, marker = "(platform_machine == 'aarch64' and platform_python_implementation == 'CPython' and sys_platform == 'linux' and extra == 'extra-13-matchcake-opt-cu128') or (platform_machine != 'aarch64' and extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (platform_python_implementation != 'CPython' and extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (sys_platform != 'linux' and extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128')" }, - { name = "torchvision", version = "0.22.1+cu128", source = { registry = "https://download.pytorch.org/whl/cu128" }, marker = "(platform_machine != 'aarch64' and extra == 'extra-13-matchcake-opt-cu128') or (platform_python_implementation != 'CPython' and extra == 'extra-13-matchcake-opt-cu128') or (sys_platform != 'linux' and extra == 'extra-13-matchcake-opt-cu128') or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128')" }, + { name = "torchvision", version = "0.22.1", source = { registry = "https://download.pytorch.org/whl/cu128" }, marker = "(platform_machine == 'aarch64' and platform_python_implementation == 'CPython' and sys_platform == 'linux' and extra == 'extra-13-matchcake-opt-cu128') or (platform_machine != 'aarch64' and extra == 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130') or (platform_python_implementation != 'CPython' and extra == 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130') or (sys_platform != 'linux' and extra == 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130') or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu130')" }, + { name = "torchvision", version = "0.22.1+cu128", source = { registry = "https://download.pytorch.org/whl/cu128" }, marker = "(platform_machine != 'aarch64' and extra == 'extra-13-matchcake-opt-cu128') or (platform_python_implementation != 'CPython' and extra == 'extra-13-matchcake-opt-cu128') or (sys_platform != 'linux' and extra == 'extra-13-matchcake-opt-cu128') or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu130') or (extra == 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130')" }, +] +cu130 = [ + { name = "torch", version = "2.9.0+cu130", source = { registry = "https://download.pytorch.org/whl/cu130" } }, + { name = "torchvision", version = "0.24.0", source = { registry = "https://download.pytorch.org/whl/cu130" }, marker = "(platform_machine == 'aarch64' and platform_python_implementation == 'CPython' and sys_platform == 'linux' and extra == 'extra-13-matchcake-opt-cu130') or (platform_machine != 'aarch64' and extra == 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130') or (platform_python_implementation != 'CPython' and extra == 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130') or (sys_platform != 'linux' and extra == 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130') or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu130')" }, + { name = "torchvision", version = "0.24.0+cu130", source = { registry = "https://download.pytorch.org/whl/cu130" }, marker = "(platform_machine != 'aarch64' and extra == 'extra-13-matchcake-opt-cu130') or (platform_python_implementation != 'CPython' and extra == 'extra-13-matchcake-opt-cu130') or (sys_platform != 'linux' and extra != 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130') or (sys_platform != 'linux' and extra != 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu130') or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu130') or (extra == 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130')" }, ] [package.dev-dependencies] @@ -1809,11 +1842,13 @@ dev = [ { name = "isort" }, { name = "mypy" }, { name = "nbmake" }, + { name = "pip" }, { name = "pytest" }, { name = "pytest-cov" }, { name = "pytest-json-report" }, { name = "pytest-xdist" }, { name = "twine" }, + { name = "types-networkx" }, { name = "wheel" }, ] docs = [ @@ -1833,7 +1868,7 @@ requires-dist = [ { name = "ax-platform", extras = ["mysql"], specifier = ">=1.0.0,<2.0.0" }, { name = "importlib-metadata", specifier = ">=8.7.0,<9.0.0" }, { name = "lightning", specifier = ">=2.5.2,<3.0.0" }, - { name = "matchcake", specifier = ">=0.0.4,<0.0.5" }, + { name = "matchcake", specifier = ">=0.0.4" }, { name = "medmnist", specifier = ">=3.0.2,<4.0.0" }, { name = "numpy", specifier = ">=1.23,<3.0.0" }, { name = "psutil", specifier = ">=5.9.6" }, @@ -1844,13 +1879,16 @@ requires-dist = [ { name = "torch", specifier = ">=2.6.0,<3.0.0" }, { name = "torch", marker = "extra == 'cpu'", specifier = ">=2.7.0", index = "https://download.pytorch.org/whl/cpu", conflict = { package = "matchcake-opt", extra = "cpu" } }, { name = "torch", marker = "extra == 'cu128'", specifier = ">=2.7.0", index = "https://download.pytorch.org/whl/cu128", conflict = { package = "matchcake-opt", extra = "cu128" } }, + { name = "torch", marker = "extra == 'cu130'", specifier = ">=2.7.0", index = "https://download.pytorch.org/whl/cu130", conflict = { package = "matchcake-opt", extra = "cu130" } }, + { name = "torch-geometric", specifier = ">=2.7.0" }, { name = "torchaudio", specifier = ">=2.6.0,<3.0.0" }, { name = "torcheval", specifier = ">=0.0.7,<0.0.8" }, - { name = "torchvision", specifier = ">=0.21.0,<0.23.0" }, + { name = "torchvision", specifier = ">=0.21.0" }, { name = "torchvision", marker = "extra == 'cpu'", specifier = ">=0.22.0", index = "https://download.pytorch.org/whl/cpu", conflict = { package = "matchcake-opt", extra = "cpu" } }, { name = "torchvision", marker = "extra == 'cu128'", specifier = ">=0.22.0", index = "https://download.pytorch.org/whl/cu128", conflict = { package = "matchcake-opt", extra = "cu128" } }, + { name = "torchvision", marker = "extra == 'cu130'", specifier = ">=0.23.0", index = "https://download.pytorch.org/whl/cu130", conflict = { package = "matchcake-opt", extra = "cu130" } }, ] -provides-extras = ["cpu", "cu128"] +provides-extras = ["cpu", "cu128", "cu130"] [package.metadata.requires-dev] dev = [ @@ -1860,11 +1898,13 @@ dev = [ { name = "isort", specifier = ">=6.0.1,<7" }, { name = "mypy", specifier = ">=1.15.0,<2" }, { name = "nbmake", specifier = ">=1.5.5,<2" }, + { name = "pip", specifier = ">=25.3" }, { name = "pytest", specifier = ">=8.3.5,<9" }, { name = "pytest-cov", specifier = ">=6.1.1,<7" }, { name = "pytest-json-report", specifier = ">=1.5.0,<2" }, { name = "pytest-xdist", specifier = ">=3.7.0,<4" }, { name = "twine", specifier = ">=6.1.0,<7" }, + { name = "types-networkx", specifier = ">=3.5.0.20251001" }, { name = "wheel", specifier = ">=0.45.1,<0.46" }, ] docs = [ @@ -1883,13 +1923,13 @@ name = "matplotlib" version = "3.10.7" source = { registry = "https://pypi.org/simple" } dependencies = [ - { name = "contourpy", version = "1.3.2", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version < '3.11' or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128')" }, - { name = "contourpy", version = "1.3.3", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version >= '3.11' or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128')" }, + { name = "contourpy", version = "1.3.2", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version < '3.11' or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu130') or (extra == 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130')" }, + { name = "contourpy", version = "1.3.3", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version >= '3.11' or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu130') or (extra == 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130')" }, { name = "cycler" }, { name = "fonttools" }, { name = "kiwisolver" }, - { name = "numpy", version = "2.2.6", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version < '3.11' or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128')" }, - { name = "numpy", version = "2.3.3", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version >= '3.11' or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128')" }, + { name = "numpy", version = "2.2.6", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version < '3.11' or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu130') or (extra == 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130')" }, + { name = "numpy", version = "2.3.3", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version >= '3.11' or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu130') or (extra == 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130')" }, { name = "packaging" }, { name = "pillow" }, { name = "pyparsing" }, @@ -1961,21 +2001,24 @@ version = "3.0.2" source = { registry = "https://pypi.org/simple" } dependencies = [ { name = "fire" }, - { name = "numpy", version = "2.2.6", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version < '3.11' or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128')" }, - { name = "numpy", version = "2.3.3", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version >= '3.11' or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128')" }, + { name = "numpy", version = "2.2.6", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version < '3.11' or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu130') or (extra == 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130')" }, + { name = "numpy", version = "2.3.3", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version >= '3.11' or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu130') or (extra == 'extra-13-matchcake-opt-cu128' and extra == 'extra-13-matchcake-opt-cu130')" }, { name = "pandas" }, { name = "pillow" }, { name = "scikit-image" }, { name = "scikit-learn" }, - { name = "torch", version = "2.7.1", source = { registry = "https://download.pytorch.org/whl/cpu" }, marker = "(sys_platform == 'darwin' and extra == 'extra-13-matchcake-opt-cpu') or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128')" }, - { name = "torch", version = "2.7.1", source = { registry = "https://pypi.org/simple" }, marker = "(extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (extra != 'extra-13-matchcake-opt-cpu' and extra != 'extra-13-matchcake-opt-cu128')" }, - { name = "torch", version = "2.7.1+cpu", source = { registry = "https://download.pytorch.org/whl/cpu" }, marker = "(sys_platform != 'darwin' and extra == 'extra-13-matchcake-opt-cpu') or (extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128')" }, - { name = "torch", version = "2.7.1+cu128", source = { registry = "https://download.pytorch.org/whl/cu128" }, marker = "extra == 'extra-13-matchcake-opt-cu128'" }, - { name = "torchvision", version = "0.22.1", source = { registry = "https://download.pytorch.org/whl/cpu" }, marker = "(platform_machine == 'aarch64' and platform_python_implementation == 'CPython' and sys_platform == 'linux' and extra == 'extra-13-matchcake-opt-cpu') or (platform_machine != 'aarch64' and extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (platform_python_implementation != 'CPython' and extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (sys_platform == 'darwin' and extra == 'extra-13-matchcake-opt-cpu') or (sys_platform != 'linux' and extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128')" }, - { name = "torchvision", version = "0.22.1", source = { registry = "https://download.pytorch.org/whl/cu128" }, marker = "(platform_machine == 'aarch64' and platform_python_implementation == 'CPython' and sys_platform == 'linux' and extra == 'extra-13-matchcake-opt-cu128') or (platform_machine != 'aarch64' and extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (platform_python_implementation != 'CPython' and extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (sys_platform != 'linux' and extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128')" }, - { name = "torchvision", version = "0.22.1", source = { registry = "https://pypi.org/simple" }, marker = "(extra == 'extra-13-matchcake-opt-cpu' and extra == 'extra-13-matchcake-opt-cu128') or (extra != 'extra-13-matchcake-opt-cpu' and extra != 'extra-13-matchcake-opt-cu128')" }, - { name = "torchvision", version = "0.22.1+cpu", source = { registry = "https://download.pytorch.org/whl/cpu" }, marker = "(platform_machine != 'aarch64' and sys_platform == 'linux' and extra == 'extra-13-matchcake-opt-cpu') or (platform_python_implementation != 'CPython' and sys_platform == 'linux' and extra == 'extra-13-matchcake-opt-cpu') or (sys_platform != 'darwin' and sys_platform != 'linux' and extra == 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