fix data pipeline and add separeate_conditions option

* update logo

* bump version from 0.2.4 to 0.2.5

README.md

@@ -7,8 +7,8 @@ SPDX-License-Identifier: Apache-2.0
 <table>
   <tr>
     <td>
-      <a href="https://github.com/mathLab/PINA/raw/master/readme/pina_logo.png">
-        <img src="https://github.com/mathLab/PINA/raw/master/readme/pina_logo.png"
+      <a href="readme/pina_logo.png">
+        <img src="readme/pina_logo.png"
              alt="PINA logo"
              style="width: 220px; aspect-ratio: 1 / 1; object-fit: contain;">
       </a>

pina/data/__init__.py

@@ -4,4 +4,3 @@ __all__ = ["PinaDataModule", "PinaDataset"]
 
 
 from .data_module import PinaDataModule
-from .dataset import PinaDataset

pina/data/data_module.py

@@ -7,232 +7,9 @@ different types of Datasets defined in PINA.
 import warnings
 from lightning.pytorch import LightningDataModule
 import torch
-from torch_geometric.data import Data
-from torch.utils.data import DataLoader, SequentialSampler, RandomSampler
-from torch.utils.data.distributed import DistributedSampler
 from ..label_tensor import LabelTensor
-from .dataset import PinaDatasetFactory, PinaTensorDataset
-
-
-class DummyDataloader:
-
-    def __init__(self, dataset):
-        """
-        Prepare a dataloader object that returns the entire dataset in a single
-        batch. Depending on the number of GPUs, the dataset is managed
-        as follows:
-
-        - **Distributed Environment** (multiple GPUs): Divides dataset across
-            processes using the rank and world size. Fetches only portion of
-            data corresponding to the current process.
-        - **Non-Distributed Environment** (single GPU): Fetches the entire
-            dataset.
-
-        :param PinaDataset dataset: The dataset object to be processed.
-
-        .. note::
-           This dataloader is used when the batch size is ``None``.
-        """
-
-        if (
-            torch.distributed.is_available()
-            and torch.distributed.is_initialized()
-        ):
-            rank = torch.distributed.get_rank()
-            world_size = torch.distributed.get_world_size()
-            if len(dataset) < world_size:
-                raise RuntimeError(
-                    "Dimension of the dataset smaller than world size."
-                    " Increase the size of the partition or use a single GPU"
-                )
-            idx, i = [], rank
-            while i < len(dataset):
-                idx.append(i)
-                i += world_size
-            self.dataset = dataset.fetch_from_idx_list(idx)
-        else:
-            self.dataset = dataset.get_all_data()
-
-    def __iter__(self):
-        return self
-
-    def __len__(self):
-        return 1
-
-    def __next__(self):
-        return self.dataset
-
-
-class Collator:
-    """
-    This callable class is used to collate the data points fetched from the
-    dataset. The collation is performed based on the type of dataset used and
-    on the batching strategy.
-    """
-
-    def __init__(
-        self, max_conditions_lengths, automatic_batching, dataset=None
-    ):
-        """
-        Initialize the object, setting the collate function based on whether
-        automatic batching is enabled or not.
-
-        :param dict max_conditions_lengths: ``dict`` containing the maximum
-            number  of data points to consider in a single batch for
-            each condition.
-        :param bool automatic_batching: Whether automatic PyTorch batching is
-            enabled or not. For more information, see the
-            :class:`~pina.data.data_module.PinaDataModule` class.
-        :param PinaDataset dataset: The dataset where the data is stored.
-        """
-
-        self.max_conditions_lengths = max_conditions_lengths
-        # Set the collate function based on the batching strategy
-        # collate_pina_dataloader is used when automatic batching is disabled
-        # collate_torch_dataloader is used when automatic batching is enabled
-        self.callable_function = (
-            self._collate_torch_dataloader
-            if automatic_batching
-            else (self._collate_pina_dataloader)
-        )
-        self.dataset = dataset
-
-        # Set the function which performs the actual collation
-        if isinstance(self.dataset, PinaTensorDataset):
-            # If the dataset is a PinaTensorDataset, use this collate function
-            self._collate = self._collate_tensor_dataset
-        else:
-            # If the dataset is a PinaDataset, use this collate function
-            self._collate = self._collate_graph_dataset
-
-    def _collate_pina_dataloader(self, batch):
-        """
-        Function used to create a batch when automatic batching is disabled.
-
-        :param list[int] batch: List of integers representing the indices of
-            the data points to be fetched.
-        :return: Dictionary containing the data points fetched from the dataset.
-        :rtype: dict
-        """
-        # Call the fetch_from_idx_list method of the dataset
-        return self.dataset.fetch_from_idx_list(batch)
-
-    def _collate_torch_dataloader(self, batch):
-        """
-        Function used to collate the batch
-
-        :param list[dict] batch: List of retrieved data.
-        :return: Dictionary containing the data points fetched from the dataset,
-            collated.
-        :rtype: dict
-        """
-
-        batch_dict = {}
-        if isinstance(batch, dict):
-            return batch
-        conditions_names = batch[0].keys()
-        # Condition names
-        for condition_name in conditions_names:
-            single_cond_dict = {}
-            condition_args = batch[0][condition_name].keys()
-            for arg in condition_args:
-                data_list = [
-                    batch[idx][condition_name][arg]
-                    for idx in range(
-                        min(
-                            len(batch),
-                            self.max_conditions_lengths[condition_name],
-                        )
-                    )
-                ]
-                single_cond_dict[arg] = self._collate(data_list)
-
-            batch_dict[condition_name] = single_cond_dict
-        return batch_dict
-
-    @staticmethod
-    def _collate_tensor_dataset(data_list):
-        """
-        Function used to collate the data when the dataset is a
-        :class:`~pina.data.dataset.PinaTensorDataset`.
-
-        :param data_list: Elements to be collated.
-        :type data_list: list[torch.Tensor] | list[LabelTensor]
-        :return: Batch of data.
-        :rtype: dict
-
-        :raises RuntimeError: If the data is not a :class:`torch.Tensor` or a
-            :class:`~pina.label_tensor.LabelTensor`.
-        """
-
-        if isinstance(data_list[0], LabelTensor):
-            return LabelTensor.stack(data_list)
-        if isinstance(data_list[0], torch.Tensor):
-            return torch.stack(data_list)
-        raise RuntimeError("Data must be Tensors or LabelTensor ")
-
-    def _collate_graph_dataset(self, data_list):
-        """
-        Function used to collate data when the dataset is a
-        :class:`~pina.data.dataset.PinaGraphDataset`.
-
-        :param data_list: Elememts to be collated.
-        :type data_list: list[Data] | list[Graph]
-        :return: Batch of data.
-        :rtype: dict
-
-        :raises RuntimeError: If the data is not a
-            :class:`~torch_geometric.data.Data` or a :class:`~pina.graph.Graph`.
-        """
-        if isinstance(data_list[0], LabelTensor):
-            return LabelTensor.cat(data_list)
-        if isinstance(data_list[0], torch.Tensor):
-            return torch.cat(data_list)
-        if isinstance(data_list[0], Data):
-            return self.dataset.create_batch(data_list)
-        raise RuntimeError(
-            "Data must be Tensors or LabelTensor or pyG "
-            "torch_geometric.data.Data"
-        )
-
-    def __call__(self, batch):
-        """
-        Perform the collation of data fetched from the dataset. The behavoior
-        of the function is set based on the batching strategy during class
-        initialization.
-
-        :param batch: List of retrieved data or sampled indices.
-        :type batch: list[int] | list[dict]
-        :return: Dictionary containing colleted data fetched from the dataset.
-        :rtype: dict
-        """
-
-        return self.callable_function(batch)
-
-
-class PinaSampler:
-    """
-    This class is used to create the sampler instance based on the shuffle
-    parameter and the environment in which the code is running.
-    """
-
-    def __new__(cls, dataset):
-        """
-        Instantiate and initialize the sampler.
-
-        :param PinaDataset dataset: The dataset from which to sample.
-        :return: The sampler instance.
-        :rtype: :class:`torch.utils.data.Sampler`
-        """
-
-        if (
-            torch.distributed.is_available()
-            and torch.distributed.is_initialized()
-        ):
-            sampler = DistributedSampler(dataset)
-        else:
-            sampler = SequentialSampler(dataset)
-        return sampler
+from .dataset import PinaDatasetFactory
+from .dataloader import PinaDataLoader
 
 
 class PinaDataModule(LightningDataModule):
@@ -250,7 +27,8 @@ class PinaDataModule(LightningDataModule):
         val_size=0.1,
         batch_size=None,
         shuffle=True,
-        repeat=False,
+        common_batch_size=True,
+        separate_conditions=False,
         automatic_batching=None,
         num_workers=0,
         pin_memory=False,
@@ -271,11 +49,12 @@ class PinaDataModule(LightningDataModule):
             Default is ``None``.
         :param bool shuffle: Whether to shuffle the dataset before splitting.
             Default ``True``.
-        :param bool repeat: If ``True``, in case of batch size larger than the
-            number of elements in a specific condition, the elements are
-            repeated until the batch size is reached. If ``False``, the number
-            of elements in the batch is the minimum between the batch size and
-            the number of elements in the condition. Default is ``False``.
+        :param bool common_batch_size: If ``True``, the same batch size is used
+            for all conditions. If ``False``, each condition can have its own
+            batch size, proportional to the size of the dataset in that
+            condition. Default is ``True``.
+        :param bool separate_conditions: If ``True``, dataloaders for each
+            condition are iterated separately. Default is ``False``.
         :param automatic_batching: If ``True``, automatic PyTorch batching
             is performed, which consists of extracting one element at a time
             from the dataset and collating them into a batch. This is useful
@@ -305,7 +84,8 @@ class PinaDataModule(LightningDataModule):
         # Store fixed attributes
         self.batch_size = batch_size
         self.shuffle = shuffle
-        self.repeat = repeat
+        self.common_batch_size = common_batch_size
+        self.separate_conditions = separate_conditions
         self.automatic_batching = automatic_batching
 
         # If batch size is None, num_workers has no effect
@@ -376,23 +156,16 @@ class PinaDataModule(LightningDataModule):
         if stage == "fit" or stage is None:
             self.train_dataset = PinaDatasetFactory(
                 self.data_splits["train"],
-                max_conditions_lengths=self.find_max_conditions_lengths(
-                    "train"
-                ),
                 automatic_batching=self.automatic_batching,
             )
             if "val" in self.data_splits.keys():
                 self.val_dataset = PinaDatasetFactory(
                     self.data_splits["val"],
-                    max_conditions_lengths=self.find_max_conditions_lengths(
-                        "val"
-                    ),
                     automatic_batching=self.automatic_batching,
                 )
         elif stage == "test":
             self.test_dataset = PinaDatasetFactory(
                 self.data_splits["test"],
-                max_conditions_lengths=self.find_max_conditions_lengths("test"),
                 automatic_batching=self.automatic_batching,
             )
         else:
@@ -502,53 +275,15 @@ class PinaDataModule(LightningDataModule):
             ),
             module="lightning.pytorch.trainer.connectors.data_connector",
         )
-        # Use custom batching (good if batch size is large)
-        if self.batch_size is not None:
-            sampler = PinaSampler(dataset)
-            if self.automatic_batching:
-                collate = Collator(
-                    self.find_max_conditions_lengths(split),
-                    self.automatic_batching,
-                    dataset=dataset,
-                )
-            else:
-                collate = Collator(
-                    None, self.automatic_batching, dataset=dataset
-                )
-            return DataLoader(
+        return PinaDataLoader(
             dataset,
-                self.batch_size,
-                collate_fn=collate,
-                sampler=sampler,
+            batch_size=self.batch_size,
+            shuffle=self.shuffle,
             num_workers=self.num_workers,
+            collate_fn=None,
+            common_batch_size=self.common_batch_size,
+            separate_conditions=self.separate_conditions,
         )
-        dataloader = DummyDataloader(dataset)
-        dataloader.dataset = self._transfer_batch_to_device(
-            dataloader.dataset, self.trainer.strategy.root_device, 0
-        )
-        self.transfer_batch_to_device = self._transfer_batch_to_device_dummy
-        return dataloader
-
-    def find_max_conditions_lengths(self, split):
-        """
-        Define the maximum length for each conditions.
-
-        :param dict split: The split of the dataset.
-        :return: The maximum length per condition.
-        :rtype: dict
-        """
-
-        max_conditions_lengths = {}
-        for k, v in self.data_splits[split].items():
-            if self.batch_size is None:
-                max_conditions_lengths[k] = len(v["input"])
-            elif self.repeat:
-                max_conditions_lengths[k] = self.batch_size
-            else:
-                max_conditions_lengths[k] = min(
-                    len(v["input"]), self.batch_size
-                )
-        return max_conditions_lengths
 
     def val_dataloader(self):
         """

pina/data/dataloader.py

@@ -0,0 +1,242 @@
+from torch.utils.data import DataLoader
+from functools import partial
+from torch.utils.data.distributed import DistributedSampler
+from torch.utils.data.sampler import SequentialSampler
+import torch
+
+
+class DummyDataloader:
+
+    def __init__(self, dataset):
+        """
+        Prepare a dataloader object that returns the entire dataset in a single
+        batch. Depending on the number of GPUs, the dataset is managed
+        as follows:
+
+        - **Distributed Environment** (multiple GPUs): Divides dataset across
+            processes using the rank and world size. Fetches only portion of
+            data corresponding to the current process.
+        - **Non-Distributed Environment** (single GPU): Fetches the entire
+            dataset.
+
+        :param PinaDataset dataset: The dataset object to be processed.
+
+        .. note::
+           This dataloader is used when the batch size is ``None``.
+        """
+        print("Using DummyDataloader")
+        if (
+            torch.distributed.is_available()
+            and torch.distributed.is_initialized()
+        ):
+            rank = torch.distributed.get_rank()
+            world_size = torch.distributed.get_world_size()
+            if len(dataset) < world_size:
+                raise RuntimeError(
+                    "Dimension of the dataset smaller than world size."
+                    " Increase the size of the partition or use a single GPU"
+                )
+            idx, i = [], rank
+            while i < len(dataset):
+                idx.append(i)
+                i += world_size
+        else:
+            idx = list(range(len(dataset)))
+
+        self.dataset = dataset._getitem_from_list(idx)
+
+    def __iter__(self):
+        return self
+
+    def __len__(self):
+        return 1
+
+    def __next__(self):
+        return self.dataset
+
+
+class PinaSampler:
+    """
+    This class is used to create the sampler instance based on the shuffle
+    parameter and the environment in which the code is running.
+    """
+
+    def __new__(cls, dataset, shuffle=True):
+        """
+        Instantiate and initialize the sampler.
+
+        :param PinaDataset dataset: The dataset from which to sample.
+        :return: The sampler instance.
+        :rtype: :class:`torch.utils.data.Sampler`
+        """
+
+        if (
+            torch.distributed.is_available()
+            and torch.distributed.is_initialized()
+        ):
+            sampler = DistributedSampler(dataset, shuffle=shuffle)
+        else:
+            if shuffle:
+                sampler = torch.utils.data.RandomSampler(dataset)
+            else:
+                sampler = SequentialSampler(dataset)
+        return sampler
+
+
+def _collect_items(batch):
+    """
+    Helper function to collect items from a batch of graph data samples.
+    :param batch: List of graph data samples.
+    """
+    to_return = {name: [] for name in batch[0].keys()}
+    for sample in batch:
+        for k, v in sample.items():
+            to_return[k].append(v)
+    return to_return
+
+
+def collate_fn_custom(batch, dataset):
+    """
+    Override the default collate function to handle datasets without automatic batching.
+    :param batch: List of indices from the dataset.
+    :param dataset: The PinaDataset instance (must be provided).
+    """
+    return dataset._getitem_from_list(batch)
+
+
+def collate_fn_default(batch, stack_fn):
+    """
+    Default collate function that simply returns the batch as is.
+    :param batch: List of data samples.
+    """
+    print("Using default collate function")
+    to_return = _collect_items(batch)
+    return {k: stack_fn[k](v) for k, v in to_return.items()}
+
+
+class PinaDataLoader:
+    """
+    Custom DataLoader for PinaDataset.
+    """
+
+    def __init__(
+        self,
+        dataset_dict,
+        batch_size,
+        shuffle=False,
+        num_workers=0,
+        collate_fn=None,
+        common_batch_size=True,
+        separate_conditions=False,
+    ):
+        self.dataset_dict = dataset_dict
+        self.batch_size = batch_size
+        self.shuffle = shuffle
+        self.num_workers = num_workers
+        self.collate_fn = collate_fn
+        self.separate_conditions = separate_conditions
+
+        if batch_size is None:
+            batch_size_per_dataset = {
+                split: None for split in dataset_dict.keys()
+            }
+        else:
+            if common_batch_size:
+                batch_size_per_dataset = {
+                    split: batch_size for split in dataset_dict.keys()
+                }
+            else:
+                batch_size_per_dataset = self._compute_batch_size()
+        self.dataloaders = {
+            split: self._create_dataloader(
+                dataset, batch_size_per_dataset[split]
+            )
+            for split, dataset in dataset_dict.items()
+        }
+
+    def _compute_batch_size(self):
+        """
+        Compute an appropriate batch size for the given dataset.
+        """
+        elements_per_dataset = {
+            dataset_name: len(dataset)
+            for dataset_name, dataset in self.dataset_dict.items()
+        }
+        total_elements = sum(el for el in elements_per_dataset.values())
+        portion_per_dataset = {
+            name: el / total_elements
+            for name, el in elements_per_dataset.items()
+        }
+        batch_size_per_dataset = {
+            name: max(1, int(portion * self.batch_size))
+            for name, portion in portion_per_dataset.items()
+        }
+        tot_el_per_batch = sum(el for el in batch_size_per_dataset.values())
+
+        if self.batch_size > tot_el_per_batch:
+            difference = self.batch_size - tot_el_per_batch
+            while difference > 0:
+                for k, v in batch_size_per_dataset.items():
+                    if difference == 0:
+                        break
+                    if v > 1:
+                        batch_size_per_dataset[k] += 1
+                        difference -= 1
+        if self.batch_size < tot_el_per_batch:
+            difference = tot_el_per_batch - self.batch_size
+            while difference > 0:
+                for k, v in batch_size_per_dataset.items():
+                    if difference == 0:
+                        break
+                    if v > 1:
+                        batch_size_per_dataset[k] -= 1
+                        difference -= 1
+        return batch_size_per_dataset
+
+    def _create_dataloader(self, dataset, batch_size):
+        print(batch_size)
+        if batch_size is None:
+            return DummyDataloader(dataset)
+
+        if not dataset.automatic_batching:
+            collate_fn = partial(collate_fn_custom, dataset=dataset)
+        else:
+            collate_fn = partial(collate_fn_default, stack_fn=dataset.stack_fn)
+        return DataLoader(
+            dataset,
+            batch_size=batch_size,
+            num_workers=self.num_workers,
+            collate_fn=collate_fn,
+            sampler=PinaSampler(dataset, shuffle=self.shuffle),
+        )
+
+    def __len__(self):
+        if self.separate_conditions:
+            return sum(len(dl) for dl in self.dataloaders.values())
+        return max(len(dl) for dl in self.dataloaders.values())
+
+    def __iter__(self):
+        """
+        Restituisce un iteratore che produce dizionari di batch.
+
+        Itera per un numero di passi pari al dataloader più lungo (come da __len__)
+        e fa ricominciare i dataloader più corti quando si esauriscono.
+        """
+        if self.separate_conditions:
+            for split, dl in self.dataloaders.items():
+                for batch in dl:
+                    yield {split: batch}
+            return
+
+        iterators = {split: iter(dl) for split, dl in self.dataloaders.items()}
+        for _ in range(len(self)):
+            batch_dict = {}
+            for split, it in iterators.items():
+                try:
+                    batch = next(it)
+                except StopIteration:
+                    new_it = iter(self.dataloaders[split])
+                    iterators[split] = new_it
+                    batch = next(new_it)
+                batch_dict[split] = batch
+            yield batch_dict

pina/data/dataset.py

@@ -1,326 +1,158 @@
 """Module for the PINA dataset classes."""
 
-from abc import abstractmethod, ABC
+import torch
 from torch.utils.data import Dataset
 from torch_geometric.data import Data
 from ..graph import Graph, LabelBatch
+from ..label_tensor import LabelTensor
 
 
 class PinaDatasetFactory:
     """
-    Factory class for the PINA dataset.
-
-    Depending on the data type inside the conditions, it instanciate an object
-    belonging to the appropriate subclass of 
-    :class:`~pina.data.dataset.PinaDataset`. The possible subclasses are:
-
-    - :class:`~pina.data.dataset.PinaTensorDataset`, for handling \
-        :class:`torch.Tensor` and :class:`~pina.label_tensor.LabelTensor` data.
-    - :class:`~pina.data.dataset.PinaGraphDataset`, for handling \
-        :class:`~pina.graph.Graph` and :class:`~torch_geometric.data.Data` data.
+    TODO: Update docstring
     """
 
     def __new__(cls, conditions_dict, **kwargs):
         """
-        Instantiate the appropriate subclass of
-        :class:`~pina.data.dataset.PinaDataset`.
-
-        If a graph is present in the conditions, returns a
-        :class:`~pina.data.dataset.PinaGraphDataset`, otherwise returns a
-        :class:`~pina.data.dataset.PinaTensorDataset`.
-
-        :param dict conditions_dict: Dictionary containing all the conditions
-            to be included in the dataset instance.
-        :return: A subclass of :class:`~pina.data.dataset.PinaDataset`.
-        :rtype: PinaTensorDataset | PinaGraphDataset
-
-        :raises ValueError: If an empty dictionary is provided.
+        TODO: Update docstring
         """
 
         # Check if conditions_dict is empty
         if len(conditions_dict) == 0:
             raise ValueError("No conditions provided")
 
+        dataset_dict = {}
+
         # Check is a Graph is present in the conditions
-        is_graph = cls._is_graph_dataset(conditions_dict)
-        if is_graph:
-            # If a Graph is present, return a PinaGraphDataset
-            return PinaGraphDataset(conditions_dict, **kwargs)
-        # If no Graph is present, return a PinaTensorDataset
-        return PinaTensorDataset(conditions_dict, **kwargs)
+        for name, data in conditions_dict.items():
+            if not isinstance(data, dict):
+                raise ValueError(
+                    f"Condition '{name}' data must be a dictionary"
+                )
+            dataset_dict[name] = PinaDataset(data, **kwargs)
+        return dataset_dict
 
-    @staticmethod
-    def _is_graph_dataset(conditions_dict):
+
+class PinaDataset(Dataset):
     """
-        Check if a graph is present in the conditions (at least one time).
-
-        :param conditions_dict: Dictionary containing the conditions.
-        :type conditions_dict: dict
-        :return: True if a graph is present in the conditions, False otherwise.
-        :rtype: bool
+    Dataset class for the PINA dataset with :class:`torch.Tensor` and
+    :class:`~pina.label_tensor.LabelTensor` data.
     """
 
-        # Iterate over the conditions dictionary
-        for v in conditions_dict.values():
-            # Iterate over the values of the current condition
-            for cond in v.values():
-                # Check if the current value is a list of Data objects
-                if isinstance(cond, (Data, Graph, list, tuple)):
-                    return True
-        return False
-
-
-class PinaDataset(Dataset, ABC):
+    def __init__(self, data_dict, automatic_batching=None):
         """
-    Abstract class for the PINA dataset which extends the PyTorch
-    :class:`~torch.utils.data.Dataset` class. It defines the common interface
-    for :class:`~pina.data.dataset.PinaTensorDataset` and
-    :class:`~pina.data.dataset.PinaGraphDataset` classes.
-    """
-
-    def __init__(
-        self, conditions_dict, max_conditions_lengths, automatic_batching
-    ):
-        """
-        Initialize the instance by storing the conditions dictionary, the
-        maximum number of items per conditions to consider, and the automatic
-        batching flag.
+        Initialize the instance by storing the conditions dictionary.
 
         :param dict conditions_dict: A dictionary mapping condition names to
             their respective data. Each key represents a condition name, and the
             corresponding value is a dictionary containing the associated data.
-        :param dict max_conditions_lengths: Maximum number of data points that
-            can be included in a single batch per condition.
-        :param bool automatic_batching: Indicates whether PyTorch automatic
-            batching is enabled in
-            :class:`~pina.data.data_module.PinaDataModule`.
         """
 
         # Store the conditions dictionary
-        self.conditions_dict = conditions_dict
-        # Store the maximum number of conditions to consider
-        self.max_conditions_lengths = max_conditions_lengths
-        # Store length of each condition
-        self.conditions_length = {
-            k: len(v["input"]) for k, v in self.conditions_dict.items()
-        }
-        # Store the maximum length of the dataset
-        self.length = max(self.conditions_length.values())
-        # Dynamically set the getitem function based on automatic batching
-        if automatic_batching:
-            self._getitem_func = self._getitem_int
+        self.data = data_dict
+        self.automatic_batching = (
+            automatic_batching if automatic_batching is not None else True
+        )
+        self.stack_fn = {}
+        # Determine stacking functions for each data type (used in collate_fn)
+        for k, v in data_dict.items():
+            if isinstance(v, LabelTensor):
+                self.stack_fn[k] = LabelTensor.stack
+            elif isinstance(v, torch.Tensor):
+                self.stack_fn[k] = torch.stack
+            elif isinstance(v, list) and all(
+                isinstance(item, (Data, Graph)) for item in v
+            ):
+                self.stack_fn[k] = LabelBatch.from_data_list
             else:
-            self._getitem_func = self._getitem_dummy
-
-    def _get_max_len(self):
-        """
-        Returns the length of the longest condition in the dataset.
-
-        :return: Length of the longest condition in the dataset.
-        :rtype: int
-        """
-
-        max_len = 0
-        for condition in self.conditions_dict.values():
-            max_len = max(max_len, len(condition["input"]))
-        return max_len
+                raise ValueError(
+                    f"Unsupported data type for stacking: {type(v)}"
+                )
 
     def __len__(self):
-        return self.length
+        return len(next(iter(self.data.values())))
 
     def __getitem__(self, idx):
-        return self._getitem_func(idx)
-
-    def _getitem_dummy(self, idx):
         """
-        Return the index itself. This is used when automatic batching is
-        disabled to postpone the data retrieval to the dataloader.
-
-        :param int idx: Index.
-        :return: Index.
-        :rtype: int
-        """
-
-        # If automatic batching is disabled, return the data at the given index
-        return idx
-
-    def _getitem_int(self, idx):
-        """
-        Return the data at the given index in the dataset. This is used when
-        automatic batching is enabled.
+        Return the data at the given index in the dataset.
 
         :param int idx: Index.
         :return: A dictionary containing the data at the given index.
         :rtype: dict
         """
 
-        # If automatic batching is enabled, return the data at the given index
+        if self.automatic_batching:
+            # Return the data at the given index
             return {
-            k: {k_data: v[k_data][idx % len(v["input"])] for k_data in v.keys()}
-            for k, v in self.conditions_dict.items()
+                field_name: data[idx] for field_name, data in self.data.items()
             }
+        return idx
 
-    def get_all_data(self):
-        """
-        Return all data in the dataset.
-
-        :return: A dictionary containing all the data in the dataset.
-        :rtype: dict
-        """
-        to_return_dict = {}
-        for condition, data in self.conditions_dict.items():
-            len_condition = len(
-                data["input"]
-            )  # Length of the current condition
-            to_return_dict[condition] = self._retrive_data(
-                data, list(range(len_condition))
-            )  # Retrieve the data from the current condition
-        return to_return_dict
-
-    def fetch_from_idx_list(self, idx):
+    def _getitem_from_list(self, idx_list):
         """
         Return data from the dataset given a list of indices.
 
-        :param list[int] idx: List of indices.
+        :param list[int] idx_list: List of indices.
         :return: A dictionary containing the data at the given indices.
         :rtype: dict
         """
 
-        to_return_dict = {}
-        for condition, data in self.conditions_dict.items():
-            # Get the indices for the current condition
-            cond_idx = idx[: self.max_conditions_lengths[condition]]
-            # Get the length of the current condition
-            condition_len = self.conditions_length[condition]
-            # If the length of the dataset is greater than the length of the
-            # current condition, repeat the indices
-            if self.length > condition_len:
-                cond_idx = [idx % condition_len for idx in cond_idx]
-            # Retrieve the data from the current condition
-            to_return_dict[condition] = self._retrive_data(data, cond_idx)
-        return to_return_dict
-
-    @abstractmethod
-    def _retrive_data(self, data, idx_list):
-        """
-        Abstract method to retrieve data from the dataset given a list of
-        indices.
-        """
-
-
-class PinaTensorDataset(PinaDataset):
-    """
-    Dataset class for the PINA dataset with :class:`torch.Tensor` and
-    :class:`~pina.label_tensor.LabelTensor` data.
-    """
-
-    # Override _retrive_data method for torch.Tensor data
-    def _retrive_data(self, data, idx_list):
-        """
-        Retrieve data from the dataset given a list of indices.
-
-        :param dict data: Dictionary containing the data
-            (only :class:`torch.Tensor` or
-            :class:`~pina.label_tensor.LabelTensor`).
-        :param list[int] idx_list: indices to retrieve.
-        :return: Dictionary containing the data at the given indices.
-        :rtype: dict
-        """
-
-        return {k: v[idx_list] for k, v in data.items()}
-
-    @property
-    def input(self):
-        """
-        Return the input data for the dataset.
-
-        :return: Dictionary containing the input points.
-        :rtype: dict
-        """
-        return {k: v["input"] for k, v in self.conditions_dict.items()}
-
-    def update_data(self, new_conditions_dict):
-        """
-        Update the dataset with new data.
-        This method is used to update the dataset with new data. It replaces
-        the current data with the new data provided in the new_conditions_dict
-        parameter.
-
-        :param dict new_conditions_dict: Dictionary containing the new data.
-        :return: None
-        """
-        for condition, data in new_conditions_dict.items():
-            if condition in self.conditions_dict:
-                self.conditions_dict[condition].update(data)
-            else:
-                self.conditions_dict[condition] = data
-
-
-class PinaGraphDataset(PinaDataset):
-    """
-    Dataset class for the PINA dataset with :class:`~torch_geometric.data.Data`
-    and :class:`~pina.graph.Graph` data.
-    """
-
-    def _create_graph_batch(self, data):
-        """
-        Create a LabelBatch object from a list of
-        :class:`~torch_geometric.data.Data` objects.
-
-        :param data: List of items to collate in a single batch.
-        :type data: list[Data] | list[Graph]
-        :return: LabelBatch object all the graph collated in a single batch
-            disconnected graphs.
-        :rtype: LabelBatch
-        """
-        batch = LabelBatch.from_data_list(data)
-        return batch
-
-    def create_batch(self, data):
-        """
-        Create a Batch object from a list of :class:`~torch_geometric.data.Data`
-        objects.
-
-        :param data: List of items to collate in a single batch.
-        :type data: list[Data] | list[Graph]
-        :return: Batch object.
-        :rtype: :class:`~torch_geometric.data.Batch`
-            | :class:`~pina.graph.LabelBatch`
-        """
-
-        if isinstance(data[0], Data):
-            return self._create_graph_batch(data)
-        return self._create_tensor_batch(data)
-
-    # Override _retrive_data method for graph handling
-    def _retrive_data(self, data, idx_list):
-        """
-        Retrieve data from the dataset given a list of indices.
-
-        :param dict data: Dictionary containing the data.
-        :param list[int] idx_list: List of indices to retrieve.
-        :return: Dictionary containing the data at the given indices.
-        :rtype: dict
-        """
-
-        # Return the data from the current condition
-        # If the data is a list of Data objects, create a Batch object
-        # If the data is a list of torch.Tensor objects, create a torch.Tensor
-        return {
-            k: (
-                self._create_graph_batch([v[i] for i in idx_list])
-                if isinstance(v, list)
-                else v[idx_list]
+        to_return = {}
+        for field_name, data in self.data.items():
+            if self.stack_fn[field_name] == LabelBatch.from_data_list:
+                to_return[field_name] = self.stack_fn[field_name](
+                    [data[i] for i in idx_list]
                 )
-            for k, v in data.items()
-        }
+            else:
+                to_return[field_name] = data[idx_list]
+        return to_return
 
-    @property
-    def input(self):
+
+class PinaGraphDataset(Dataset):
+    def __init__(self, data_dict, automatic_batching=None):
         """
-        Return the input data for the dataset.
+        Initialize the instance by storing the conditions dictionary.
 
-        :return: Dictionary containing the input points.
+        :param dict conditions_dict: A dictionary mapping condition names to
+            their respective data. Each key represents a condition name, and the
+            corresponding value is a dictionary containing the associated data.
+        """
+
+        # Store the conditions dictionary
+        self.data = data_dict
+        self.automatic_batching = (
+            automatic_batching if automatic_batching is not None else True
+        )
+
+    def __len__(self):
+        return len(next(iter(self.data.values())))
+
+    def __getitem__(self, idx):
+        """
+        Return the data at the given index in the dataset.
+
+        :param int idx: Index.
+        :return: A dictionary containing the data at the given index.
         :rtype: dict
         """
-        return {k: v["input"] for k, v in self.conditions_dict.items()}
+
+        if self.automatic_batching:
+            # Return the data at the given index
+            return {
+                field_name: data[idx] for field_name, data in self.data.items()
+            }
+        return idx
+
+    def _getitem_from_list(self, idx_list):
+        """
+        Return data from the dataset given a list of indices.
+
+        :param list[int] idx_list: List of indices.
+        :return: A dictionary containing the data at the given indices.
+        :rtype: dict
+        """
+
+        return {
+            field_name: [data[i] for i in idx_list]
+            for field_name, data in self.data.items()
+        }

pyproject.toml

@@ -1,6 +1,6 @@
 [project]
 name = "pina-mathlab"
-version = "0.2.4"
+version = "0.2.5"
 description = "Physic Informed Neural networks for Advance modeling."
 readme = "README.md"
 authors = [