Merge pull request #6 from mmschlk/development

Development

setup.py

@@ -43,6 +43,10 @@
     "myst-parser"  # parse md and rst files
 ]
 
+dev_packages = [
+    "pytest"
+]
+
 setuptools.setup(
     name=NAME,
     version=version["__version__"],
@@ -61,6 +65,7 @@
     install_requires=base_packages + plotting_packages,
     extras_require={
         "docs": base_packages + plotting_packages + doc_packages,
+        "dev": base_packages + plotting_packages + doc_packages + dev_packages
     },
     include_package_data=True,
     license="MIT",

shapiq/__version__.py

@@ -1 +1 @@
-__version__ = "0.0.2"
+__version__ = "0.0.3"

shapiq/approximator/__init__.py

@@ -0,0 +1,7 @@
+"""This module contains the approximators to estimate the Shapley interaction values."""
+from .permutation.sii import PermutationSamplingSII
+from .permutation.sti import PermutationSamplingSTI
+
+__all__ = [
+    "PermutationSamplingSII",
+]

shapiq/approximator/_base.py

@@ -0,0 +1,182 @@
+"""This module contains the base approximator classes for the shapiq package."""
+import copy
+from abc import ABC, abstractmethod
+from dataclasses import dataclass
+from typing import Callable, Union, Optional
+
+import numpy as np
+
+
+AVAILABLE_INDICES = {"SII", "nSII", "STI", "FSI"}
+
+
+@dataclass
+class InteractionValues:
+    """ This class contains the interaction values as estimated by an approximator.
+
+    Attributes:
+        values: The interaction values of the model. Mapping from order to the interaction values.
+        index: The interaction index estimated. Available indices are 'SII', 'nSII', 'STI', and
+            'FSI'.
+        order: The order of the approximation.
+    """
+    values: dict[int, np.ndarray]
+    index: str
+    order: int
+
+    def __post_init__(self) -> None:
+        """Checks if the index is valid."""
+        if self.index not in ["SII", "nSII", "STI", "FSI"]:
+            raise ValueError(
+                f"Index {self.index} is not valid. "
+                f"Available indices are 'SII', 'nSII', 'STI', and 'FSI'."
+            )
+        if self.order < 1 or self.order != max(self.values.keys()):
+            raise ValueError(
+                f"Order {self.order} is not valid. "
+                f"Order should be a positive integer equal to the maximum key of the values."
+            )
+
+
+class Approximator(ABC):
+    """This class is the base class for all approximators.
+
+    Approximators are used to estimate the interaction values of a model or any value function.
+    Different approximators can be used to estimate different interaction indices. Some can be used
+    to estimate all indices.
+
+    Args:
+        n: The number of players.
+        max_order: The interaction order of the approximation.
+        index: The interaction index to be estimated. Available indices are 'SII', 'nSII', 'STI',
+            and 'FSI'.
+        top_order: If True, the approximation is performed only for the top order interactions. If
+            False, the approximation is performed for all orders up to the specified order.
+        random_state: The random state to use for the approximation. Defaults to None.
+
+    Attributes:
+        n: The number of players.
+        N: The set of players (starting from 0 to n - 1).
+        max_order: The interaction order of the approximation.
+        index: The interaction index to be estimated.
+        top_order: If True, the approximation is performed only for the top order interactions. If
+            False, the approximation is performed for all orders up to the specified order.
+        min_order: The minimum order of the approximation. If top_order is True, min_order is equal
+            to max_order. Otherwise, min_order is equal to 1.
+    """
+
+    def __init__(
+            self,
+            n: int,
+            max_order: int,
+            index: str,
+            top_order: bool,
+            random_state: Optional[int] = None
+    ) -> None:
+        """Initializes the approximator."""
+        self.index: str = index
+        if self.index not in AVAILABLE_INDICES:
+            raise ValueError(
+                f"Index {self.index} is not valid. "
+                f"Available indices are {AVAILABLE_INDICES}."
+            )
+        self.n: int = n
+        self.N: set = set(range(self.n))
+        self.max_order: int = max_order
+        self.top_order: bool = top_order
+        self.min_order: int = self.max_order if self.top_order else 1
+        self._random_state: Optional[int] = random_state
+        self._rng: Optional[np.random.Generator] = np.random.default_rng(seed=self._random_state)
+
+    @abstractmethod
+    def approximate(
+            self,
+            budget: int,
+            game: Callable[[Union[set, tuple]], float],
+            *args, **kwargs
+    ) -> InteractionValues:
+        """Approximates the interaction values. Abstract method that needs to be implemented for
+        each approximator.
+
+        Args:
+            budget: The budget for the approximation.
+            game: The game function.
+
+        Returns:
+            The interaction values.
+
+        Raises:
+            NotImplementedError: If the method is not implemented.
+        """
+        raise NotImplementedError
+
+    def _init_result(self, dtype=float) -> dict[int, np.ndarray]:
+        """Initializes the result dictionary mapping from order to the interaction values.
+        For order 1 the interaction values are of shape (n,) for order 2 of shape (n, n) and so on.
+
+        Args:
+            dtype: The data type of the result dictionary values. Defaults to float.
+
+        Returns:
+            The result dictionary.
+        """
+        result = {s: self._get_empty_array(self.n, s, dtype=dtype)
+                  for s in self._order_iterator}
+        return result
+
+    @staticmethod
+    def _get_empty_array(n: int, order: int, dtype=float) -> np.ndarray:
+        """Returns an empty array of the appropriate shape for the given order.
+
+        Args:
+            n: The number of players.
+            order: The order of the array.
+            dtype: The data type of the array. Defaults to float.
+
+        Returns:
+            The empty array.
+        """
+        return np.zeros(n ** order, dtype=dtype).reshape((n,) * order)
+
+    @property
+    def _order_iterator(self) -> range:
+        """Returns an iterator over the orders of the approximation.
+
+        Returns:
+            The iterator.
+        """
+        return range(self.min_order, self.max_order + 1)
+
+    def _finalize_result(self, result) -> InteractionValues:
+        """Finalizes the result dictionary.
+
+        Args:
+            result: The result dictionary.
+
+        Returns:
+            The interaction values.
+        """
+        return InteractionValues(result, self.index, self.max_order)
+
+    @staticmethod
+    def _smooth_with_epsilon(
+            interaction_results: Union[dict, np.ndarray],
+            eps=0.00001
+    ) -> Union[dict, np.ndarray]:
+        """Smooth the interaction results with a small epsilon to avoid numerical issues.
+
+        Args:
+            interaction_results: Interaction results.
+            eps: Small epsilon. Defaults to 0.00001.
+
+        Returns:
+            Union[dict, np.ndarray]: Smoothed interaction results.
+        """
+        if not isinstance(interaction_results, dict):
+            interaction_results[np.abs(interaction_results) < eps] = 0
+            return copy.deepcopy(interaction_results)
+        interactions = {}
+        for interaction_order, interaction_values in interaction_results.items():
+            interaction_values[np.abs(interaction_values) < eps] = 0
+            interactions[interaction_order] = interaction_values
+        return copy.deepcopy(interactions)

shapiq/approximator/permutation/__init__.py

@@ -0,0 +1,10 @@
+"""This module contains all permutation-based sampling algorithms to estimate SII/nSII and STI."""
+from ._base import PermutationSampling
+from .sii import PermutationSamplingSII
+from .sti import PermutationSamplingSTI
+
+__all__ = [
+    "PermutationSampling",
+    "PermutationSamplingSII",
+    "PermutationSamplingSTI",
+]

shapiq/approximator/permutation/_base.py

@@ -0,0 +1,78 @@
+"""This module contains the base permutation sampling algorithms to estimate SII/nSII and STI."""
+from typing import Optional, Callable, Union
+
+import numpy as np
+
+from approximator._base import Approximator, InteractionValues
+
+
+AVAILABLE_INDICES_PERMUTATION = {"SII", "nSII", "STI"}
+
+
+class PermutationSampling(Approximator):
+    """Permutation sampling approximator. This class contains the permutation sampling algorithm to
+    estimate SII/nSII and STI values.
+
+    Args:
+        n: The number of players.
+        max_order: The interaction order of the approximation.
+        index: The interaction index to be estimated. Available indices are 'SII', 'nSII', and
+            'STI'.
+        top_order: Whether to approximate only the top order interactions (`True`) or all orders up
+            to the specified order (`False`).
+
+    Attributes:
+        n (int): The number of players.
+        N (set): The set of players (starting from 0 to n - 1).
+        max_order (int): The interaction order of the approximation.
+        index (str): The interaction index to be estimated.
+        top_order (bool): Whether to approximate only the top order interactions or all orders up to
+            the specified order.
+        min_order (int): The minimum order of the approximation. If top_order is True, min_order is
+            equal to order. Otherwise, min_order is equal to 1.
+
+    """
+
+    def __init__(
+            self,
+            n: int,
+            max_order: int,
+            index: str,
+            top_order: bool,
+            random_state: Optional[int] = None
+    ) -> None:
+        if index not in AVAILABLE_INDICES_PERMUTATION:
+            raise ValueError(
+                f"Index {index} is not valid. "
+                f"Available indices are {AVAILABLE_INDICES_PERMUTATION}."
+            )
+        super().__init__(n, max_order, index, top_order, random_state)
+
+    def approximate(
+            self,
+            budget: int,
+            game: Callable[[Union[set, tuple]], float]
+    ) -> InteractionValues:
+        """Approximates the interaction values."""
+        raise NotImplementedError
+
+    @staticmethod
+    def _get_n_iterations(budget: int, batch_size: int, iteration_cost: int) -> tuple[int, int]:
+        """Computes the number of iterations and the size of the last batch given the batch size and
+        the budget.
+
+        Args:
+            budget: The budget for the approximation.
+            batch_size: The size of the batch.
+            iteration_cost: The cost of a single iteration.
+
+        Returns:
+            int, int: The number of iterations and the size of the last batch.
+        """
+        n_iterations = budget // (iteration_cost * batch_size)
+        last_batch_size = batch_size
+        remaining_budget = budget - n_iterations * iteration_cost * batch_size
+        if remaining_budget > 0 and remaining_budget // iteration_cost > 0:
+            last_batch_size = remaining_budget // iteration_cost
+            n_iterations += 1
+        return n_iterations, last_batch_size