congrads 0.2.0__py3-none-any.whl → 0.3.1__py3-none-any.whl

congrads/utils/utility.py

@@ -0,0 +1,515 @@
+"""This module holds utility functions and classes for the congrads package."""
+
+import inspect
+import os
+import random
+from collections.abc import Callable
+
+import numpy as np
+import pandas as pd
+import torch
+import torch.nn as nn
+from torch import Generator, Tensor, argsort, cat, int32, unique
+from torch.nn.modules.loss import _Loss
+from torch.utils.data import DataLoader, Dataset, random_split
+
+__all__ = [
+    "CSVLogger",
+    "split_data_loaders",
+    "ZeroLoss",
+    "LossWrapper",
+    "process_data_monotonicity_constraint",
+    "DictDatasetWrapper",
+    "Seeder",
+]
+
+
+class CSVLogger:
+    """A utility class for logging key-value pairs to a CSV file, organized by epochs.
+
+    Supports merging with existing logs or overwriting them.
+
+    Args:
+        file_path (str): The path to the CSV file for logging.
+        overwrite (bool): If True, overwrites any existing file at the file_path.
+        merge (bool): If True, merges new values with existing data in the file.
+
+    Raises:
+        ValueError: If both overwrite and merge are True.
+        FileExistsError: If the file already exists and neither overwrite nor merge is True.
+    """
+
+    def __init__(self, file_path: str, overwrite: bool = False, merge: bool = True):
+        """Initializes the CSVLogger.
+
+        Supports merging with existing logs or overwriting them.
+
+        Args:
+            file_path (str): The path to the CSV file for logging.
+            overwrite (optional, bool): If True, overwrites any existing file at the file_path. Defaults to False.
+            merge (optional, bool): If True, merges new values with existing data in the file. Defaults to True.
+
+        Raises:
+            ValueError: If both overwrite and merge are True.
+            FileExistsError: If the file already exists and neither overwrite nor merge is True.
+        """
+        self.file_path = file_path
+        self.values: dict[tuple[int, str], float] = {}
+
+        if merge and overwrite:
+            raise ValueError(
+                "The attributes overwrite and merge cannot be True at the "
+                "same time. Either specify overwrite=True or merge=True."
+            )
+
+        if not os.path.exists(file_path):
+            pass
+        elif merge:
+            self.load()
+        elif overwrite:
+            pass
+        else:
+            raise FileExistsError(
+                f"A CSV file already exists at {file_path}. Specify "
+                "CSVLogger(..., overwrite=True) to overwrite the file."
+            )
+
+    def add_value(self, name: str, value: float, epoch: int):
+        """Adds a value to the logger for a specific epoch and name.
+
+        Args:
+            name (str): The name of the metric or value to log.
+            value (float): The value to log.
+            epoch (int): The epoch associated with the value.
+        """
+        self.values[epoch, name] = value
+
+    def save(self):
+        """Saves the logged values to the specified CSV file.
+
+        If the file exists and merge is enabled, merges the current data
+        with the existing file.
+        """
+        data = self.to_dataframe(self.values)
+        data.to_csv(self.file_path, index=False)
+
+    def load(self):
+        """Loads data from the CSV file into the logger.
+
+        Converts the CSV data into the internal dictionary format for
+        further updates or operations.
+        """
+        df = pd.read_csv(self.file_path)
+        self.values = self.to_dict(df)
+
+    @staticmethod
+    def to_dataframe(values: dict[tuple[int, str], float]) -> pd.DataFrame:
+        """Converts a dictionary of values into a DataFrame.
+
+        Args:
+            values (dict[tuple[int, str], float]): A dictionary of values keyed by (epoch, name).
+
+        Returns:
+            pd.DataFrame: A DataFrame where epochs are rows, names are columns, and values are the cell data.
+        """
+        # Convert to a DataFrame
+        df = pd.DataFrame.from_dict(values, orient="index", columns=["value"])
+
+        # Reset the index to separate epoch and name into columns
+        df.index = pd.MultiIndex.from_tuples(df.index, names=["epoch", "name"])
+        df = df.reset_index()
+
+        # Pivot the DataFrame so epochs are rows and names are columns
+        result = df.pivot(index="epoch", columns="name", values="value")
+
+        # Optional: Reset the column names for a cleaner look
+        result = result.reset_index().rename_axis(columns=None)
+
+        return result
+
+    @staticmethod
+    def to_dict(df: pd.DataFrame) -> dict[tuple[int, str], float]:
+        """Converts a CSVLogger DataFrame to a dictionary the format {(epoch, name): value}."""
+        # Set the epoch column as the index (if not already)
+        df = df.set_index("epoch")
+
+        # Stack the DataFrame to create a multi-index series
+        stacked = df.stack()
+
+        # Convert the multi-index series to a dictionary
+        result = stacked.to_dict()
+
+        return result
+
+
+def split_data_loaders(
+    data: Dataset,
+    loader_args: dict = None,
+    train_loader_args: dict = None,
+    valid_loader_args: dict = None,
+    test_loader_args: dict = None,
+    train_size: float = 0.8,
+    valid_size: float = 0.1,
+    test_size: float = 0.1,
+    split_generator: Generator = None,
+) -> tuple[DataLoader, DataLoader, DataLoader]:
+    """Splits a dataset into training, validation, and test sets, and returns corresponding DataLoader objects.
+
+    Args:
+        data (Dataset): The dataset to be split.
+        loader_args (dict, optional): Default DataLoader arguments, merges
+            with loader-specific arguments, overlapping keys from
+            loader-specific arguments are superseded.
+        train_loader_args (dict, optional): Training DataLoader arguments,
+            merges with `loader_args`, overriding overlapping keys.
+        valid_loader_args (dict, optional): Validation DataLoader arguments,
+            merges with `loader_args`, overriding overlapping keys.
+        test_loader_args (dict, optional): Test DataLoader arguments,
+            merges with `loader_args`, overriding overlapping keys.
+        train_size (float, optional): Proportion of data to be used for
+            training. Defaults to 0.8.
+        valid_size (float, optional): Proportion of data to be used for
+            validation. Defaults to 0.1.
+        test_size (float, optional): Proportion of data to be used for
+            testing. Defaults to 0.1.
+        split_generator (Generator, optional): Optional random seed generator
+            to control the splitting of the dataset.
+
+    Returns:
+        tuple: A tuple containing three DataLoader objects: one for the
+        training, validation and test set.
+
+    Raises:
+        ValueError: If the train_size, valid_size, and test_size are not
+            between 0 and 1, or if their sum does not equal 1.
+    """
+    # Validate split sizes
+    if not (0 < train_size < 1 and 0 < valid_size < 1 and 0 < test_size < 1):
+        raise ValueError("train_size, valid_size, and test_size must be between 0 and 1.")
+    if not abs(train_size + valid_size + test_size - 1.0) < 1e-6:
+        raise ValueError("train_size, valid_size, and test_size must sum to 1.")
+
+    # Perform the splits
+    train_val_data, test_data = random_split(
+        data, [1 - test_size, test_size], generator=split_generator
+    )
+    train_data, valid_data = random_split(
+        train_val_data,
+        [
+            train_size / (1 - test_size),
+            valid_size / (1 - test_size),
+        ],
+        generator=split_generator,
+    )
+
+    # Set default arguments for each loader
+    train_loader_args = dict(loader_args or {}, **(train_loader_args or {}))
+    valid_loader_args = dict(loader_args or {}, **(valid_loader_args or {}))
+    test_loader_args = dict(loader_args or {}, **(test_loader_args or {}))
+
+    # Create the DataLoaders
+    train_generator = DataLoader(train_data, **train_loader_args)
+    valid_generator = DataLoader(valid_data, **valid_loader_args)
+    test_generator = DataLoader(test_data, **test_loader_args)
+
+    return train_generator, valid_generator, test_generator
+
+
+class ZeroLoss(_Loss):
+    """A loss function that always returns zero.
+
+    This custom loss function ignores the input and target tensors
+    and returns a constant zero loss, which can be useful for debugging
+    or when no meaningful loss computation is required.
+
+    Args:
+        reduction (str, optional): Specifies the reduction to apply to
+            the output. Defaults to "mean". Although specified, it has
+            no effect as the loss is always zero.
+    """
+
+    def __init__(self, reduction: str = "mean"):
+        """Initialize ZeroLoss with a specified reduction method.
+
+        Args:
+            reduction (str): Specifies the reduction to apply to the output. Defaults to "mean".
+        """
+        super().__init__(reduction=reduction)
+
+    def forward(self, predictions: Tensor, target: Tensor, **kwargs) -> torch.Tensor:
+        """Return a dummy loss of zero regardless of input and target."""
+        return (predictions * 0).sum()
+
+
+class LossWrapper:
+    """Wraps a loss function to optionally accept batch-level data.
+
+    This adapter allows both standard PyTorch loss functions (e.g.
+    ``nn.MSELoss``) and custom loss functions that accept an additional
+    ``data`` keyword argument to be used interchangeably.
+
+    The wrapped loss can always be called with the same signature:
+
+        loss(output, target, data=batch)
+
+    If the underlying loss function does not accept ``data``, the
+    argument is silently ignored.
+    """
+
+    def __init__(self, loss_fn: Callable):
+        """Initializes the LossWrapper.
+
+        Args:
+            loss_fn (Callable): The underlying loss function or callable
+                (e.g. a ``torch.nn.Module`` or a custom function).
+        """
+        self.loss_fn = loss_fn
+        self.accepts_data = self._accepts_data()
+
+    def _accepts_data(self) -> bool:
+        """Checks whether the wrapped loss function accepts a ``data`` argument.
+
+        The check returns ``True`` if either:
+        - The function explicitly defines a ``data`` parameter, or
+        - The function accepts arbitrary keyword arguments (``**kwargs``).
+
+        Returns:
+            bool: ``True`` if the loss function can accept ``data``,
+            ``False`` otherwise.
+        """
+        # For nn.Module, inspect forward(), not __call__()
+        if isinstance(self.loss_fn, nn.Module):
+            fn = self.loss_fn.forward
+        else:
+            fn = self.loss_fn
+
+        sig = inspect.signature(fn)
+
+        return "data" in sig.parameters or any(
+            p.kind == inspect.Parameter.VAR_KEYWORD for p in sig.parameters.values()
+        )
+
+    def __call__(self, output: Tensor, target: Tensor, *, data: dict | None = None) -> Tensor:
+        """Computes the loss.
+
+        Args:
+            output (torch.Tensor): Model predictions.
+            target (torch.Tensor): Ground-truth targets.
+            data (dict, optional): Full batch data passed to custom loss
+                functions that require additional context.
+
+        Returns:
+            torch.Tensor: Computed loss value.
+        """
+        if self.accepts_data:
+            return self.loss_fn(output, target, data=data)
+        return self.loss_fn(output, target)
+
+
+def process_data_monotonicity_constraint(data: Tensor, ordering: Tensor, identifiers: Tensor):
+    """Reorders input samples to support monotonicity checking.
+
+    Reorders input samples such that:
+    1. Samples from the same run are grouped together.
+    2. Within each run, samples are sorted chronologically.
+
+    Args:
+        data (Tensor): The input data.
+        ordering (Tensor): On what to order the data.
+        identifiers (Tensor): Identifiers specifying different runs.
+
+    Returns:
+        Tuple[Tensor, Tensor, Tensor]: Sorted data, ordering, and
+        identifiers.
+    """
+    # Step 1: Sort by run identifiers
+    sorted_indices = argsort(identifiers, stable=True, dim=0).reshape(-1)
+    data_sorted, ordering_sorted, identifiers_sorted = (
+        data[sorted_indices],
+        ordering[sorted_indices],
+        identifiers[sorted_indices],
+    )
+
+    # Step 2: Get unique runs and their counts
+    _, counts = unique(identifiers, sorted=False, return_counts=True)
+    counts = counts.to(int32)  # Avoid repeated conversions
+
+    sorted_data, sorted_ordering, sorted_identifiers = [], [], []
+    index = 0  # Tracks the current batch element index
+
+    # Step 3: Process each run independently
+    for count in counts:
+        end = index + count
+        run_data, run_ordering, run_identifiers = (
+            data_sorted[index:end],
+            ordering_sorted[index:end],
+            identifiers_sorted[index:end],
+        )
+
+        # Step 4: Sort within each run by time
+        time_sorted_indices = argsort(run_ordering, stable=True, dim=0).reshape(-1)
+        sorted_data.append(run_data[time_sorted_indices])
+        sorted_ordering.append(run_ordering[time_sorted_indices])
+        sorted_identifiers.append(run_identifiers[time_sorted_indices])
+
+        index = end  # Move to next run
+
+    # Step 5: Concatenate results and return
+    return (
+        cat(sorted_data, dim=0),
+        cat(sorted_ordering, dim=0),
+        cat(sorted_identifiers, dim=0),
+    )
+
+
+class DictDatasetWrapper(Dataset):
+    """A wrapper for PyTorch datasets that converts each sample into a dictionary.
+
+    This class takes any PyTorch dataset and returns its samples as dictionaries,
+    where each element of the original sample is mapped to a key. This is useful
+    for integration with the Congrads toolbox or other frameworks that expect
+    dictionary-formatted data.
+
+    Attributes:
+        base_dataset (Dataset): The underlying PyTorch dataset being wrapped.
+        field_names (list[str] | None): Names assigned to each field of a sample.
+            If None, default names like 'field0', 'field1', ... are generated.
+
+    Args:
+        base_dataset (Dataset): The PyTorch dataset to wrap.
+        field_names (list[str] | None, optional): Custom names for each field.
+            If provided, the list is truncated or extended to match the number
+            of elements in a sample. Defaults to None.
+
+    Example:
+        Wrapping a TensorDataset with custom field names:
+
+        >>> from torch.utils.data import TensorDataset
+        >>> import torch
+        >>> dataset = TensorDataset(torch.randn(5, 3), torch.randint(0, 2, (5,)))
+        >>> wrapped = DictDatasetWrapper(dataset, field_names=["features", "label"])
+        >>> wrapped[0]
+        {'features': tensor([...]), 'label': tensor(1)}
+
+        Wrapping a built-in dataset like CIFAR10:
+
+        >>> from torchvision.datasets import CIFAR10
+        >>> from torchvision import transforms
+        >>> cifar = CIFAR10(
+        ...     root="./data", train=True, download=True, transform=transforms.ToTensor()
+        ... )
+        >>> wrapped_cifar = DictDatasetWrapper(cifar, field_names=["input", "output"])
+        >>> wrapped_cifar[0]
+        {'input': tensor([...]), 'output': tensor(6)}
+    """
+
+    def __init__(self, base_dataset: Dataset, field_names: list[str] | None = None):
+        """Initialize the DictDatasetWrapper.
+
+        Args:
+            base_dataset (Dataset): The PyTorch dataset to wrap.
+            field_names (list[str] | None, optional): Optional list of field names
+                for the dictionary output. Defaults to None, in which case
+                automatic names 'field0', 'field1', ... are generated.
+        """
+        self.base_dataset = base_dataset
+        self.field_names = field_names
+
+    def __getitem__(self, idx: int):
+        """Retrieve a sample from the dataset as a dictionary.
+
+        Each element in the original sample is mapped to a key in the dictionary.
+        If the sample is not a tuple or list, it is converted into a single-element
+        tuple. Numerical values (int or float) are automatically converted to tensors.
+
+        Args:
+            idx (int): Index of the sample to retrieve.
+
+        Returns:
+            dict: A dictionary mapping field names to sample values.
+        """
+        sample = self.base_dataset[idx]
+
+        # Ensure sample is always a tuple
+        if not isinstance(sample, (tuple, list)):
+            sample = (sample,)
+
+        n_fields = len(sample)
+
+        # Generate default field names if none are provided
+        if self.field_names is None:
+            names = [f"field{i}" for i in range(n_fields)]
+        else:
+            names = list(self.field_names)
+            if len(names) < n_fields:
+                names.extend([f"field{i}" for i in range(len(names), n_fields)])
+            names = names[:n_fields]  # truncate if too long
+
+        # Build dictionary
+        out = {}
+        for name, value in zip(names, sample, strict=False):
+            if isinstance(value, (int, float)):
+                value = torch.tensor(value)
+            out[name] = value
+
+        return out
+
+    def __len__(self):
+        """Return the number of samples in the dataset.
+
+        Returns:
+            int: Length of the underlying dataset.
+        """
+        return len(self.base_dataset)
+
+
+class Seeder:
+    """A deterministic seed manager for reproducible experiments.
+
+    This class provides a way to consistently generate pseudo-random
+    seeds derived from a fixed base seed. It ensures that different
+    libraries (Python's `random`, NumPy, and PyTorch) are initialized
+    with reproducible seeds, making experiments deterministic across runs.
+    """
+
+    def __init__(self, base_seed: int):
+        """Initialize the Seeder with a base seed.
+
+        Args:
+            base_seed (int): The initial seed from which all subsequent seudo-random seeds are deterministically derived.
+        """
+        self._rng = random.Random(base_seed)
+
+    def roll_seed(self) -> int:
+        """Generate a new deterministic pseudo-random seed.
+
+        Each call returns an integer seed derived from the internal
+        pseudo-random generator, which itself is initialized by the
+        base seed.
+
+        Returns:
+            int: A pseudo-random integer seed in the range [0, 2**31 - 1].
+        """
+        return self._rng.randint(0, 2**31 - 1)
+
+    def set_reproducible(self) -> None:
+        """Configure global random states for reproducibility.
+
+        Seeds the following libraries with deterministically generated seeds based on the base seed:
+          - Python's built-in `random`
+          - NumPy's random number generator
+          - PyTorch (CPU and GPU)
+
+        Also enforces deterministic behavior in PyTorch by:
+          - Seeding all CUDA devices
+          - Disabling CuDNN benchmarking
+          - Enabling CuDNN deterministic mode
+
+        """
+        random.seed(self.roll_seed())
+        np.random.seed(self.roll_seed())
+        torch.manual_seed(self.roll_seed())
+        torch.cuda.manual_seed_all(self.roll_seed())
+
+        torch.backends.cudnn.deterministic = True
+        torch.backends.cudnn.benchmark = False

congrads/utils/validation.py

@@ -0,0 +1,191 @@
+"""Validation utilities for type checking and argument validation.
+
+This module provides utility functions for validating function arguments,
+including type validation, callable validation, and PyTorch-specific
+validation functions.
+"""
+
+from torch.utils.data import DataLoader
+
+__all__ = [
+    "validate_type",
+    "validate_iterable",
+    "validate_comparator",
+    "validate_callable",
+    "validate_callable_iterable",
+    "validate_loaders",
+]
+
+
+def validate_type(name, value, expected_types, allow_none=False):
+    """Validate that a value is of the specified type(s).
+
+    Args:
+        name (str): Name of the argument for error messages.
+        value: Value to validate.
+        expected_types (type or tuple of types): Expected type(s) for the value.
+        allow_none (bool): Whether to allow the value to be None.
+            Defaults to False.
+
+    Raises:
+        TypeError: If the value is not of the expected type(s).
+    """
+    if value is None:
+        if not allow_none:
+            raise TypeError(f"Argument {name} cannot be None.")
+        return
+
+    if not isinstance(value, expected_types):
+        raise TypeError(
+            f"Argument {name} '{str(value)}' is not supported. "
+            f"Only values of type {str(expected_types)} are allowed."
+        )
+
+
+def validate_iterable(
+    name,
+    value,
+    expected_element_types,
+    allowed_iterables=(list, set, tuple),
+    allow_empty=False,
+    allow_none=False,
+):
+    """Validate that a value is an iterable (e.g., list, set) with elements of the specified type(s).
+
+    Args:
+        name (str): Name of the argument for error messages.
+        value: Value to validate.
+        expected_element_types (type or tuple of types): Expected type(s)
+            for the elements.
+        allowed_iterables (tuple of types): Iterable types that are
+            allowed (default: list and set).
+        allow_empty (bool): Whether to allow empty iterables. Defaults to False.
+        allow_none (bool): Whether to allow the value to be None.
+            Defaults to False.
+
+    Raises:
+        TypeError: If the value is not an allowed iterable type or if
+            any element is not of the expected type(s).
+    """
+    if value is None:
+        if not allow_none:
+            raise TypeError(f"Argument {name} cannot be None.")
+        return
+
+    if len(value) == 0:
+        if not allow_empty:
+            raise TypeError(f"Argument {name} cannot be an empty iterable.")
+        return
+
+    if not isinstance(value, allowed_iterables):
+        raise TypeError(
+            f"Argument {name} '{str(value)}' is not supported. "
+            f"Only values of type {str(allowed_iterables)} are allowed."
+        )
+    if not all(isinstance(element, expected_element_types) for element in value):
+        raise TypeError(
+            f"Invalid elements in {name} '{str(value)}'. "
+            f"Only elements of type {str(expected_element_types)} are allowed."
+        )
+
+
+def validate_comparator(name, value, comparator_map: dict):
+    """Validate that a value is a callable PyTorch comparator function.
+
+    Args:
+        name (str): Name of the argument for error messages.
+        value: Value to validate.
+        comparator_map: The comparator function map.
+
+    Raises:
+        TypeError: If the value is not a valid comparator.
+    """
+    if value not in comparator_map:
+        raise TypeError(
+            f"Unsupported comparator: {value}. Supported comparators are: {list(comparator_map.keys())}."
+        )
+
+
+def validate_callable(name, value, allow_none=False):
+    """Validate that a value is callable function.
+
+    Args:
+        name (str): Name of the argument for error messages.
+        value: Value to validate.
+        allow_none (bool): Whether to allow the value to be None.
+            Defaults to False.
+
+    Raises:
+        TypeError: If the value is not callable.
+    """
+    if value is None:
+        if not allow_none:
+            raise TypeError(f"Argument {name} cannot be None.")
+        return
+
+    if not callable(value):
+        raise TypeError(
+            f"Argument {name} '{str(value)}' is not supported. Only callable functions are allowed."
+        )
+
+
+def validate_callable_iterable(
+    name,
+    value,
+    allowed_iterables=(list, set, tuple),
+    allow_none=False,
+):
+    """Validate that a value is an iterable containing only callable elements.
+
+    This function ensures that the given value is an iterable
+    (e.g., list or set and that all its elements are callable functions.
+
+    Args:
+        name (str): Name of the argument for error messages.
+        value: The value to validate.
+        allowed_iterables (tuple of types, optional): Iterable types that are
+            allowed. Defaults to (list, set).
+        allow_none (bool, optional): Whether to allow the value to be None.
+            Defaults to False.
+
+    Raises:
+        TypeError: If the value is not an allowed iterable type or if any
+            element is not callable.
+    """
+    if value is None:
+        if not allow_none:
+            raise TypeError(f"Argument {name} cannot be None.")
+        return
+
+    if not isinstance(value, allowed_iterables):
+        raise TypeError(
+            f"Argument {name} '{str(value)}' is not supported. "
+            f"Only values of type {str(allowed_iterables)} are allowed."
+        )
+
+    if not all(callable(element) for element in value):
+        raise TypeError(
+            f"Invalid elements in {name} '{str(value)}'. Only callable functions are allowed."
+        )
+
+
+def validate_loaders(name: str, loaders: tuple[DataLoader, DataLoader, DataLoader]):
+    """Validates that `loaders` is a tuple of three DataLoader instances.
+
+    Args:
+        name (str): The name of the parameter being validated.
+        loaders (tuple[DataLoader, DataLoader, DataLoader]): A tuple of
+            three DataLoader instances.
+
+    Raises:
+        TypeError: If `loaders` is not a tuple of three DataLoader
+            instances or contains invalid types.
+    """
+    if not isinstance(loaders, tuple) or len(loaders) != 3:
+        raise TypeError(f"{name} must be a tuple of three DataLoader instances.")
+
+    for i, loader in enumerate(loaders):
+        if not isinstance(loader, DataLoader):
+            raise TypeError(
+                f"{name}[{i}] must be an instance of DataLoader, got {type(loader).__name__}."
+            )