""" Geneformer collator for gene and cell classification. Huggingface data collator modified to accommodate single-cell transcriptomics data for gene and cell classification. """ import numpy as np import pickle import torch import warnings from enum import Enum from typing import Dict, List, Optional, Union from transformers import ( DataCollatorForTokenClassification, SpecialTokensMixin, BatchEncoding, ) from transformers.utils import is_tf_available, is_torch_available, logging, to_py_obj from transformers.utils.generic import _is_tensorflow, _is_torch from . import TOKEN_DICTIONARY_FILE # load token dictionary (Ensembl IDs:token) with open(TOKEN_DICTIONARY_FILE, "rb") as f: token_dictionary = pickle.load(f) EncodedInput = List[int] logger = logging.get_logger(__name__) VERY_LARGE_INTEGER = int( 1e30 ) # This is used to set the max input length for a model with infinite size input LARGE_INTEGER = int( 1e20 ) # This is used when we need something big but slightly smaller than VERY_LARGE_INTEGER # precollator functions class ExplicitEnum(Enum): """ Enum with more explicit error message for missing values. """ @classmethod def _missing_(cls, value): raise ValueError( "%r is not a valid %s, please select one of %s" % (value, cls.__name__, str(list(cls._value2member_map_.keys()))) ) class TruncationStrategy(ExplicitEnum): """ Possible values for the ``truncation`` argument in :meth:`PreTrainedTokenizerBase.__call__`. Useful for tab-completion in an IDE. """ ONLY_FIRST = "only_first" ONLY_SECOND = "only_second" LONGEST_FIRST = "longest_first" DO_NOT_TRUNCATE = "do_not_truncate" class PaddingStrategy(ExplicitEnum): """ Possible values for the ``padding`` argument in :meth:`PreTrainedTokenizerBase.__call__`. Useful for tab-completion in an IDE. """ LONGEST = "longest" MAX_LENGTH = "max_length" DO_NOT_PAD = "do_not_pad" class TensorType(ExplicitEnum): """ Possible values for the ``return_tensors`` argument in :meth:`PreTrainedTokenizerBase.__call__`. Useful for tab-completion in an IDE. """ PYTORCH = "pt" TENSORFLOW = "tf" NUMPY = "np" JAX = "jax" class PrecollatorForGeneAndCellClassification(SpecialTokensMixin): mask_token = "" mask_token_id = token_dictionary.get("") pad_token = "" pad_token_id = token_dictionary.get("") padding_side = "right" all_special_ids = [ token_dictionary.get(""), token_dictionary.get("") ] model_input_names = ["input_ids"] def _get_padding_truncation_strategies( self, padding=True, truncation=False, max_length=None, pad_to_multiple_of=None, verbose=True, **kwargs ): """ Find the correct padding/truncation strategy with backward compatibility for old arguments (truncation_strategy and pad_to_max_length) and behaviors. """ old_truncation_strategy = kwargs.pop("truncation_strategy", "do_not_truncate") old_pad_to_max_length = kwargs.pop("pad_to_max_length", False) # Backward compatibility for previous behavior, maybe we should deprecate it: # If you only set max_length, it activates truncation for max_length if max_length is not None and padding is False and truncation is False: if verbose: if not self.deprecation_warnings.get("Truncation-not-explicitly-activated", False): logger.warning( "Truncation was not explicitly activated but `max_length` is provided a specific value, " "please use `truncation=True` to explicitly truncate examples to max length. " "Defaulting to 'longest_first' truncation strategy. " "If you encode pairs of sequences (GLUE-style) with the tokenizer you can select this strategy " "more precisely by providing a specific strategy to `truncation`." ) self.deprecation_warnings["Truncation-not-explicitly-activated"] = True truncation = "longest_first" # Get padding strategy if padding is False and old_pad_to_max_length: if verbose: warnings.warn( "The `pad_to_max_length` argument is deprecated and will be removed in a future version, " "use `padding=True` or `padding='longest'` to pad to the longest sequence in the batch, or " "use `padding='max_length'` to pad to a max length. In this case, you can give a specific " "length with `max_length` (e.g. `max_length=45`) or leave max_length to None to pad to the " "maximal input size of the model (e.g. 512 for Bert).", FutureWarning, ) if max_length is None: padding_strategy = PaddingStrategy.LONGEST else: padding_strategy = PaddingStrategy.MAX_LENGTH elif padding is not False: if padding is True: padding_strategy = PaddingStrategy.LONGEST # Default to pad to the longest sequence in the batch elif not isinstance(padding, PaddingStrategy): padding_strategy = PaddingStrategy(padding) elif isinstance(padding, PaddingStrategy): padding_strategy = padding else: padding_strategy = PaddingStrategy.DO_NOT_PAD # Get truncation strategy if truncation is False and old_truncation_strategy != "do_not_truncate": if verbose: warnings.warn( "The `truncation_strategy` argument is deprecated and will be removed in a future version, " "use `truncation=True` to truncate examples to a max length. You can give a specific " "length with `max_length` (e.g. `max_length=45`) or leave max_length to None to truncate to the " "maximal input size of the model (e.g. 512 for Bert). " " If you have pairs of inputs, you can give a specific truncation strategy selected among " "`truncation='only_first'` (will only truncate the first sentence in the pairs) " "`truncation='only_second'` (will only truncate the second sentence in the pairs) " "or `truncation='longest_first'` (will iteratively remove tokens from the longest sentence in the pairs).", FutureWarning, ) truncation_strategy = TruncationStrategy(old_truncation_strategy) elif truncation is not False: if truncation is True: truncation_strategy = ( TruncationStrategy.LONGEST_FIRST ) # Default to truncate the longest sequences in pairs of inputs elif not isinstance(truncation, TruncationStrategy): truncation_strategy = TruncationStrategy(truncation) elif isinstance(truncation, TruncationStrategy): truncation_strategy = truncation else: truncation_strategy = TruncationStrategy.DO_NOT_TRUNCATE # Set max length if needed if max_length is None: if padding_strategy == PaddingStrategy.MAX_LENGTH: if self.model_max_length > LARGE_INTEGER: if verbose: if not self.deprecation_warnings.get("Asking-to-pad-to-max_length", False): logger.warning( "Asking to pad to max_length but no maximum length is provided and the model has no predefined maximum length. " "Default to no padding." ) self.deprecation_warnings["Asking-to-pad-to-max_length"] = True padding_strategy = PaddingStrategy.DO_NOT_PAD else: max_length = self.model_max_length if truncation_strategy != TruncationStrategy.DO_NOT_TRUNCATE: if self.model_max_length > LARGE_INTEGER: if verbose: if not self.deprecation_warnings.get("Asking-to-truncate-to-max_length", False): logger.warning( "Asking to truncate to max_length but no maximum length is provided and the model has no predefined maximum length. " "Default to no truncation." ) self.deprecation_warnings["Asking-to-truncate-to-max_length"] = True truncation_strategy = TruncationStrategy.DO_NOT_TRUNCATE else: max_length = self.model_max_length # Test if we have a padding token if padding_strategy != PaddingStrategy.DO_NOT_PAD and (not self.pad_token or self.pad_token_id < 0): raise ValueError( "Asking to pad but the tokenizer does not have a padding token. " "Please select a token to use as `pad_token` `(tokenizer.pad_token = tokenizer.eos_token e.g.)` " "or add a new pad token via `tokenizer.add_special_tokens({'pad_token': '[PAD]'})`." ) # Check that we will truncate to a multiple of pad_to_multiple_of if both are provided if ( truncation_strategy != TruncationStrategy.DO_NOT_TRUNCATE and padding_strategy != PaddingStrategy.DO_NOT_PAD and pad_to_multiple_of is not None and max_length is not None and (max_length % pad_to_multiple_of != 0) ): raise ValueError( f"Truncation and padding are both activated but " f"truncation length ({max_length}) is not a multiple of pad_to_multiple_of ({pad_to_multiple_of})." ) return padding_strategy, truncation_strategy, max_length, kwargs def pad( self, encoded_inputs: Union[ BatchEncoding, List[BatchEncoding], Dict[str, EncodedInput], Dict[str, List[EncodedInput]], List[Dict[str, EncodedInput]], ], class_type, # options: "gene" or "cell" padding: Union[bool, str, PaddingStrategy] = True, max_length: Optional[int] = None, pad_to_multiple_of: Optional[int] = None, return_attention_mask: Optional[bool] = True, return_tensors: Optional[Union[str, TensorType]] = None, verbose: bool = True, ) -> BatchEncoding: """ Pad a single encoded input or a batch of encoded inputs up to predefined length or to the max sequence length in the batch. Padding side (left/right) padding token ids are defined at the tokenizer level (with ``self.padding_side``, ``self.pad_token_id`` and ``self.pad_token_type_id``) .. note:: If the ``encoded_inputs`` passed are dictionary of numpy arrays, PyTorch tensors or TensorFlow tensors, the result will use the same type unless you provide a different tensor type with ``return_tensors``. In the case of PyTorch tensors, you will lose the specific device of your tensors however. Args: encoded_inputs (:class:`~transformers.BatchEncoding`, list of :class:`~transformers.BatchEncoding`, :obj:`Dict[str, List[int]]`, :obj:`Dict[str, List[List[int]]` or :obj:`List[Dict[str, List[int]]]`): Tokenized inputs. Can represent one input (:class:`~transformers.BatchEncoding` or :obj:`Dict[str, List[int]]`) or a batch of tokenized inputs (list of :class:`~transformers.BatchEncoding`, `Dict[str, List[List[int]]]` or `List[Dict[str, List[int]]]`) so you can use this method during preprocessing as well as in a PyTorch Dataloader collate function. Instead of :obj:`List[int]` you can have tensors (numpy arrays, PyTorch tensors or TensorFlow tensors), see the note above for the return type. padding (:obj:`bool`, :obj:`str` or :class:`~transformers.tokenization_utils_base.PaddingStrategy`, `optional`, defaults to :obj:`True`): Select a strategy to pad the returned sequences (according to the model's padding side and padding index) among: * :obj:`True` or :obj:`'longest'`: Pad to the longest sequence in the batch (or no padding if only a single sequence if provided). * :obj:`'max_length'`: Pad to a maximum length specified with the argument :obj:`max_length` or to the maximum acceptable input length for the model if that argument is not provided. * :obj:`False` or :obj:`'do_not_pad'` (default): No padding (i.e., can output a batch with sequences of different lengths). max_length (:obj:`int`, `optional`): Maximum length of the returned list and optionally padding length (see above). pad_to_multiple_of (:obj:`int`, `optional`): If set will pad the sequence to a multiple of the provided value. This is especially useful to enable the use of Tensor Cores on NVIDIA hardware with compute capability >= 7.5 (Volta). return_attention_mask (:obj:`bool`, `optional`): Whether to return the attention mask. If left to the default, will return the attention mask according to the specific tokenizer's default, defined by the :obj:`return_outputs` attribute. `What are attention masks? <../glossary.html#attention-mask>`__ return_tensors (:obj:`str` or :class:`~transformers.tokenization_utils_base.TensorType`, `optional`): If set, will return tensors instead of list of python integers. Acceptable values are: * :obj:`'tf'`: Return TensorFlow :obj:`tf.constant` objects. * :obj:`'pt'`: Return PyTorch :obj:`torch.Tensor` objects. * :obj:`'np'`: Return Numpy :obj:`np.ndarray` objects. verbose (:obj:`bool`, `optional`, defaults to :obj:`True`): Whether or not to print more information and warnings. """ # If we have a list of dicts, let's convert it in a dict of lists # We do this to allow using this method as a collate_fn function in PyTorch Dataloader if isinstance(encoded_inputs, (list, tuple)) and isinstance(encoded_inputs[0], (dict, BatchEncoding)): encoded_inputs = {key: [example[key] for example in encoded_inputs] for key in encoded_inputs[0].keys()} # The model's main input name, usually `input_ids`, has be passed for padding if self.model_input_names[0] not in encoded_inputs: raise ValueError( "You should supply an encoding or a list of encodings to this method" f"that includes {self.model_input_names[0]}, but you provided {list(encoded_inputs.keys())}" ) required_input = encoded_inputs[self.model_input_names[0]] if not required_input: if return_attention_mask: encoded_inputs["attention_mask"] = [] return encoded_inputs # If we have PyTorch/TF/NumPy tensors/arrays as inputs, we cast them as python objects # and rebuild them afterwards if no return_tensors is specified # Note that we lose the specific device the tensor may be on for PyTorch first_element = required_input[0] if isinstance(first_element, (list, tuple)): # first_element might be an empty list/tuple in some edge cases so we grab the first non empty element. index = 0 while len(required_input[index]) == 0: index += 1 if index < len(required_input): first_element = required_input[index][0] # At this state, if `first_element` is still a list/tuple, it's an empty one so there is nothing to do. if not isinstance(first_element, (int, list, tuple)): if is_tf_available() and _is_tensorflow(first_element): return_tensors = "tf" if return_tensors is None else return_tensors elif is_torch_available() and _is_torch(first_element): return_tensors = "pt" if return_tensors is None else return_tensors elif isinstance(first_element, np.ndarray): return_tensors = "np" if return_tensors is None else return_tensors else: raise ValueError( f"type of {first_element} unknown: {type(first_element)}. " f"Should be one of a python, numpy, pytorch or tensorflow object." ) for key, value in encoded_inputs.items(): encoded_inputs[key] = to_py_obj(value) # Convert padding_strategy in PaddingStrategy padding_strategy, _, max_length, _ = self._get_padding_truncation_strategies( padding=padding, max_length=max_length, verbose=verbose ) required_input = encoded_inputs[self.model_input_names[0]] if required_input and not isinstance(required_input[0], (list, tuple)): encoded_inputs = self._pad( encoded_inputs, class_type=class_type, max_length=max_length, padding_strategy=padding_strategy, pad_to_multiple_of=pad_to_multiple_of, return_attention_mask=return_attention_mask, ) return BatchEncoding(encoded_inputs, tensor_type=return_tensors) batch_size = len(required_input) assert all( len(v) == batch_size for v in encoded_inputs.values() ), "Some items in the output dictionary have a different batch size than others." if padding_strategy == PaddingStrategy.LONGEST: max_length = max(len(inputs) for inputs in required_input) padding_strategy = PaddingStrategy.MAX_LENGTH batch_outputs = {} for i in range(batch_size): inputs = dict((k, v[i]) for k, v in encoded_inputs.items()) outputs = self._pad( inputs, class_type=class_type, max_length=max_length, padding_strategy=padding_strategy, pad_to_multiple_of=pad_to_multiple_of, return_attention_mask=return_attention_mask, ) for key, value in outputs.items(): if key not in batch_outputs: batch_outputs[key] = [] batch_outputs[key].append(value) if class_type == "cell": del batch_outputs["label"] return BatchEncoding(batch_outputs, tensor_type=return_tensors) def _pad( self, encoded_inputs: Union[Dict[str, EncodedInput], BatchEncoding], class_type, # options: "gene" or "cell" max_length: Optional[int] = None, padding_strategy: PaddingStrategy = PaddingStrategy.LONGEST, pad_to_multiple_of: Optional[int] = None, return_attention_mask: Optional[bool] = True, ) -> dict: """ Pad encoded inputs (on left/right and up to predefined length or max length in the batch) Args: encoded_inputs: Dictionary of tokenized inputs (`List[int]`) or batch of tokenized inputs (`List[List[int]]`). max_length: maximum length of the returned list and optionally padding length (see below). Will truncate by taking into account the special tokens. padding_strategy: PaddingStrategy to use for padding. - PaddingStrategy.LONGEST Pad to the longest sequence in the batch - PaddingStrategy.MAX_LENGTH: Pad to the max length (default) - PaddingStrategy.DO_NOT_PAD: Do not pad The tokenizer padding sides are defined in self.padding_side: - 'left': pads on the left of the sequences - 'right': pads on the right of the sequences pad_to_multiple_of: (optional) Integer if set will pad the sequence to a multiple of the provided value. This is especially useful to enable the use of Tensor Core on NVIDIA hardware with compute capability >= 7.5 (Volta). return_attention_mask: (optional) Set to False to avoid returning attention mask (default: set to model specifics) """ # Load from model defaults if return_attention_mask is None: return_attention_mask = "attention_mask" in self.model_input_names required_input = encoded_inputs[self.model_input_names[0]] if padding_strategy == PaddingStrategy.LONGEST: max_length = len(required_input) if max_length is not None and pad_to_multiple_of is not None and (max_length % pad_to_multiple_of != 0): max_length = ((max_length // pad_to_multiple_of) + 1) * pad_to_multiple_of needs_to_be_padded = padding_strategy != PaddingStrategy.DO_NOT_PAD and len(required_input) != max_length if needs_to_be_padded: difference = max_length - len(required_input) if self.padding_side == "right": if return_attention_mask: encoded_inputs["attention_mask"] = [1] * len(required_input) + [0] * difference if "token_type_ids" in encoded_inputs: encoded_inputs["token_type_ids"] = ( encoded_inputs["token_type_ids"] + [self.pad_token_type_id] * difference ) if "special_tokens_mask" in encoded_inputs: encoded_inputs["special_tokens_mask"] = encoded_inputs["special_tokens_mask"] + [1] * difference encoded_inputs[self.model_input_names[0]] = required_input + [self.pad_token_id] * difference if class_type == "gene": encoded_inputs["labels"] = encoded_inputs["labels"] + [-100] * difference elif self.padding_side == "left": if return_attention_mask: encoded_inputs["attention_mask"] = [0] * difference + [1] * len(required_input) if "token_type_ids" in encoded_inputs: encoded_inputs["token_type_ids"] = [self.pad_token_type_id] * difference + encoded_inputs[ "token_type_ids" ] if "special_tokens_mask" in encoded_inputs: encoded_inputs["special_tokens_mask"] = [1] * difference + encoded_inputs["special_tokens_mask"] encoded_inputs[self.model_input_names[0]] = [self.pad_token_id] * difference + required_input if class_type == "gene": encoded_inputs["labels"] = [-100] * difference + encoded_inputs["labels"] else: raise ValueError("Invalid padding strategy:" + str(self.padding_side)) elif return_attention_mask and "attention_mask" not in encoded_inputs: encoded_inputs["attention_mask"] = [1] * len(required_input) return encoded_inputs def get_special_tokens_mask( self, token_ids_0: List[int], token_ids_1: Optional[List[int]] = None, already_has_special_tokens: bool = False ) -> List[int]: """ Retrieves sequence ids from a token list that has no special tokens added. This method is called when adding special tokens using the tokenizer ``prepare_for_model`` or ``encode_plus`` methods. Args: token_ids_0 (:obj:`List[int]`): List of ids of the first sequence. token_ids_1 (:obj:`List[int]`, `optional`): List of ids of the second sequence. already_has_special_tokens (:obj:`bool`, `optional`, defaults to :obj:`False`): Whether or not the token list is already formatted with special tokens for the model. Returns: A list of integers in the range [0, 1]: 1 for a special token, 0 for a sequence token. """ assert already_has_special_tokens and token_ids_1 is None, ( "You cannot use ``already_has_special_tokens=False`` with this tokenizer. " "Please use a slow (full python) tokenizer to activate this argument." "Or set `return_special_tokens_mask=True` when calling the encoding method " "to get the special tokens mask in any tokenizer. " ) all_special_ids = self.all_special_ids # cache the property special_tokens_mask = [1 if token in all_special_ids else 0 for token in token_ids_0] return special_tokens_mask def convert_tokens_to_ids(self, tokens: Union[str, List[str]]) -> Union[int, List[int]]: """ Converts a token string (or a sequence of tokens) in a single integer id (or a sequence of ids), using the vocabulary. Args: tokens (:obj:`str` or :obj:`List[str]`): One or several token(s) to convert to token id(s). Returns: :obj:`int` or :obj:`List[int]`: The token id or list of token ids. """ if tokens is None: return None if isinstance(tokens, str): return self._convert_token_to_id_with_added_voc(tokens) ids = [] for token in tokens: ids.append(self._convert_token_to_id_with_added_voc(token)) return ids def _convert_token_to_id_with_added_voc(self, token): if token is None: return None return token_dictionary.get(token) def __len__(self): return len(token_dictionary) # collator functions class DataCollatorForGeneClassification(DataCollatorForTokenClassification): """ Data collator that will dynamically pad the inputs received, as well as the labels. Args: tokenizer (:class:`~transformers.PreTrainedTokenizer` or :class:`~transformers.PreTrainedTokenizerFast`): The tokenizer used for encoding the data. padding (:obj:`bool`, :obj:`str` or :class:`~transformers.tokenization_utils_base.PaddingStrategy`, `optional`, defaults to :obj:`True`): Select a strategy to pad the returned sequences (according to the model's padding side and padding index) among: * :obj:`True` or :obj:`'longest'`: Pad to the longest sequence in the batch (or no padding if only a single sequence if provided). * :obj:`'max_length'`: Pad to a maximum length specified with the argument :obj:`max_length` or to the maximum acceptable input length for the model if that argument is not provided. * :obj:`False` or :obj:`'do_not_pad'` (default): No padding (i.e., can output a batch with sequences of different lengths). max_length (:obj:`int`, `optional`): Maximum length of the returned list and optionally padding length (see above). pad_to_multiple_of (:obj:`int`, `optional`): If set will pad the sequence to a multiple of the provided value. This is especially useful to enable the use of Tensor Cores on NVIDIA hardware with compute capability >= 7.5 (Volta). label_pad_token_id (:obj:`int`, `optional`, defaults to -100): The id to use when padding the labels (-100 will be automatically ignore by PyTorch loss functions). """ tokenizer = PrecollatorForGeneAndCellClassification() class_type = "gene" padding: Union[bool, str, PaddingStrategy] = True max_length: Optional[int] = None pad_to_multiple_of: Optional[int] = None label_pad_token_id: int = -100 def __init__(self, *args, **kwargs) -> None: super().__init__( tokenizer=self.tokenizer, padding=self.padding, max_length=self.max_length, pad_to_multiple_of=self.pad_to_multiple_of, label_pad_token_id=self.label_pad_token_id, *args, **kwargs) def _prepare_batch(self, features): label_name = "label" if "label" in features[0].keys() else "labels" labels = [feature[label_name] for feature in features] if label_name in features[0].keys() else None batch = self.tokenizer.pad( features, class_type=self.class_type, padding=self.padding, max_length=self.max_length, pad_to_multiple_of=self.pad_to_multiple_of, return_tensors="pt", ) return batch def __call__(self, features): batch = self._prepare_batch(features) batch = {k: torch.tensor(v, dtype=torch.int64) for k, v in batch.items()} return batch class DataCollatorForCellClassification(DataCollatorForGeneClassification): class_type = "cell" def _prepare_batch(self, features): batch = super()._prepare_batch(features) # Special handling for labels. # Ensure that tensor is created with the correct type # (it should be automatically the case, but let's make sure of it.) first = features[0] if "label" in first and first["label"] is not None: label = first["label"].item() if isinstance(first["label"], torch.Tensor) else first["label"] dtype = torch.long if isinstance(label, int) else torch.float batch["labels"] = torch.tensor([f["label"] for f in features], dtype=dtype) return batch