from collections.abc import Callable from dataclasses import dataclass from typing import Any import jax import jax.numpy as jnp from src.utils._types import ArrayLike __all__ = [ "BaseDataMixin", "ConditionData", "PredictionData", "TrainingData", "ValidationData", ] @dataclass class ReturnData: # TODO: this should rather be a NamedTuple split_covariates_mask: jnp.ndarray | None split_idx_to_covariates: dict[int, tuple[Any, ...]] perturbation_covariates_mask: jnp.ndarray | None perturbation_idx_to_covariates: dict[int, tuple[Any, ...]] perturbation_idx_to_id: dict[int, Any] condition_data: dict[str, ArrayLike] control_to_perturbation: dict[int, ArrayLike] max_combination_length: int condition_data_id: jnp.ndarray # mapping from perturbation_idx to condition_id class BaseDataMixin: """Base class for data containers.""" @property def n_controls(self) -> int: """Returns the number of control covariate values.""" return len(self.split_idx_to_covariates) # type: ignore[attr-defined] @property def n_perturbations(self) -> int: """Returns the number of perturbation covariate combinations.""" return len(self.perturbation_idx_to_covariates) # type: ignore[attr-defined] @property def n_perturbation_covariates(self) -> int: """Returns the number of perturbation covariates.""" return len(self.condition_data) # type: ignore[attr-defined] def _format_params(self, fmt: Callable[[Any], str]) -> str: params = { "n_controls": self.n_controls, "n_perturbations": self.n_perturbations, } return ", ".join(f"{name}={fmt(val)}" for name, val in params.items()) def __repr__(self) -> str: return f"{self.__class__.__name__}[{self._format_params(repr)}]" @dataclass class ConditionData(BaseDataMixin): """Data container containing condition embeddings. Parameters ---------- condition_data Dictionary with embeddings for conditions. max_combination_length Maximum number of covariates in a combination. null_value Token to use for masking `null_value`. data_manager Data manager used to generate the data. condition_data_id Mapping from perturbation index to condition ID. """ condition_data: dict[str, ArrayLike] max_combination_length: int perturbation_idx_to_covariates: dict[int, tuple[str, ...]] perturbation_idx_to_id: dict[int, Any] null_value: Any data_manager: Any condition_data_id: jnp.ndarray @dataclass class TrainingData(BaseDataMixin): """Training data. Parameters ---------- cell_data The representation of cell data, e.g. PCA of gene expression data. split_covariates_mask Mask of the split covariates. split_idx_to_covariates Dictionary explaining values in ``split_covariates_mask``. perturbation_covariates_mask Mask of the perturbation covariates. perturbation_idx_to_covariates Dictionary explaining values in ``perturbation_covariates_mask``. condition_data Dictionary with embeddings for conditions. control_to_perturbation Mapping from control index to target distribution indices. max_combination_length Maximum number of covariates in a combination. data_manager The data manager condition_data_id Mapping from perturbation index to condition ID. """ cell_data: jax.Array # (n_cells, n_features) split_covariates_mask: jax.Array # (n_cells,), which cell assigned to which source distribution split_idx_to_covariates: dict[int, tuple[Any, ...]] # (n_sources,) dictionary explaining split_covariates_mask perturbation_covariates_mask: jax.Array # (n_cells,), which cell assigned to which target distribution perturbation_idx_to_covariates: dict[ int, tuple[str, ...] ] # (n_targets,), dictionary explaining perturbation_covariates_mask perturbation_idx_to_id: dict[int, Any] condition_data: dict[str, ArrayLike] # (n_targets,) all embeddings for conditions control_to_perturbation: dict[int, ArrayLike] # mapping from control idx to target distribution idcs max_combination_length: int null_value: Any data_manager: Any condition_data_id: jnp.ndarray cell_data_id: Any @dataclass class ValidationData(BaseDataMixin): """Data container for the validation data. Parameters ---------- cell_data The representation of cell data, e.g. PCA of gene expression data. split_covariates_mask Mask of the split covariates. split_idx_to_covariates Dictionary explaining values in ``split_covariates_mask``. perturbation_covariates_mask Mask of the perturbation covariates. perturbation_idx_to_covariates Dictionary explaining values in ``perturbation_covariates_mask``. condition_data Dictionary with embeddings for conditions. control_to_perturbation Mapping from control index to target distribution indices. max_combination_length Maximum number of covariates in a combination. data_manager The data manager condition_data_id Mapping from perturbation index to condition ID. n_conditions_on_log_iteration Number of conditions to use for computation callbacks at each logged iteration. If :obj:`None`, use all conditions. n_conditions_on_train_end Number of conditions to use for computation callbacks at the end of training. If :obj:`None`, use all conditions. """ cell_data: jax.Array # (n_cells, n_features) split_covariates_mask: jax.Array # (n_cells,), which cell assigned to which source distribution split_idx_to_covariates: dict[int, tuple[Any, ...]] # (n_sources,) dictionary explaining split_covariates_mask perturbation_covariates_mask: jax.Array # (n_cells,), which cell assigned to which target distribution perturbation_idx_to_covariates: dict[ int, tuple[str, ...] ] # (n_targets,), dictionary explaining perturbation_covariates_mask perturbation_idx_to_id: dict[int, Any] condition_data: dict[str, ArrayLike] # (n_targets,) all embeddings for conditions control_to_perturbation: dict[int, jax.Array] # mapping from control idx to target distribution idcs max_combination_length: int null_value: Any data_manager: Any condition_data_id: jnp.ndarray n_conditions_on_log_iteration: int | None = None n_conditions_on_train_end: int | None = None @dataclass class PredictionData(BaseDataMixin): """Data container to perform prediction. Parameters ---------- src_data Dictionary with data for source cells. condition_data Dictionary with embeddings for conditions. control_to_perturbation Mapping from control index to target distribution indices. covariate_encoder Encoder for the primary covariate. max_combination_length Maximum number of covariates in a combination. null_value Token to use for masking ``null_value``. condition_data_id Mapping from condition name to condition ID embedding. """ cell_data: jax.Array # (n_cells, n_features) split_covariates_mask: jax.Array # (n_cells,), which cell assigned to which source distribution split_idx_to_covariates: dict[int, tuple[Any, ...]] # (n_sources,) dictionary explaining split_covariates_mask perturbation_idx_to_covariates: dict[ int, tuple[str, ...] ] # (n_targets,), dictionary explaining perturbation_covariates_mask perturbation_idx_to_id: dict[int, Any] condition_data: dict[str, ArrayLike] # (n_targets,) all embeddings for conditions control_to_perturbation: dict[int, ArrayLike] max_combination_length: int null_value: Any data_manager: Any condition_data_id: jnp.ndarray