import argparse from pathlib import Path from scgpt.tokenizer import GeneVocab, random_mask_value import sys from datasets import Dataset, load_dataset import os sys.path.insert(0, "../") parser = argparse.ArgumentParser() parser.add_argument( "-d", "--data-source", type=str, required=True, help='The name of the data source (currently support "scvi" datasets), or the ' "path to the data file.", ) parser.add_argument( "-s", "--save-dir", type=str, required=True, help="The directory to save the trained model and the results.", ) parser.add_argument( "--load-model", type=str, default=None, help="The directory containing the model and configs to load and continue training.", ) # settings for data parser.add_argument( "--n-hvg", type=int, default=None, help="The number of highly variable genes. If set to 0, will use all genes. " "Default is None, which will determine the n_hvg automatically.", ) parser.add_argument( "--valid-size-or-ratio", type=float, default=0.1, help="The ratio or size of the validation set size if split the dataset. " "If value is between 0 and 1, will be parsed as the ratio. If value is " "greater than 1 and be an integer, will be parsed as the size. If value " "is 0, will not split the dataset.", ) parser.add_argument( "--grad-accu-steps", type=int, default=1, help="The number of gradient accumulation steps. Default is 1.", ) # settings for tokenizer parser.add_argument( "--pad-token", type=str, default="", help="The token to use for padding. Default is .", ) parser.add_argument( "--input-style", type=str, choices=["normed_raw", "log1p", "binned"], default="binned", help="The style of the input data. Default is binned.", ) parser.add_argument( "--input-emb-style", type=str, choices=["category", "continuous", "scaling"], default="continuous", help="The style of the input embedding. Default is continuous.", ) parser.add_argument( "--n-bins", type=int, default=51, help="The number of bins to use for the binned input style. Default is 51.", ) parser.add_argument( "--max-seq-len", type=int, default=1536, help="The maximum length of the sequence. Default is 1000. The actual used " "max length would be the minimum of this value and the length of the longest " "sequence in the data.", ) # omit the args for MLM and MVC, will always use them by default parser.add_argument( "--training-tasks", # choices of "mlm", "gen", "both" type=str, default="both", choices=["pcpt", "gen", "both"], help="The tasks to use for training. pcpt: perception training with maked token " "learning. gen: generation. Default is both.", ) parser.add_argument( "--mask-ratio", type=float, default=0.40, help="The ratio of masked values in the training data. Default is 0.40. This" "value will be ignored if --training-tasks is set to gen or both.", ) parser.add_argument( "--trunc-by-sample", action="store_true", help="Whether to truncate the input by sampling rather than cutting off if " "sequence length > max_seq_length. Default is False.", ) parser.add_argument( "--vocab-path", type=str, help="Path to the vocabulary file.", ) # settings for training parser.add_argument( "--local-rank", type=int, default=-1, help="The local rank of the process for using the torch.distributed.launch " "utility. Will be -1 if not running in distributed model.", ) parser.add_argument( "--batch-size", type=int, default=32, help="The batch size for training. Default is 32.", ) parser.add_argument( "--eval-batch-size", type=int, default=32, help="The batch size for evaluation. Default is 32.", ) parser.add_argument( "--epochs", type=int, default=10, help="The number of epochs for training.", ) parser.add_argument( "--lr", type=float, default=1e-3, help="The learning rate for training. Default is 1e-3.", ) parser.add_argument( "--scheduler-interval", type=int, default=100, help="The interval iterations for updating the learning rate. Default is 100. " "This will only be used when warmup-ratio is 0.", ) parser.add_argument( "--scheduler-factor", type=float, default=0.99, help="The factor for updating the learning rate. Default is 0.99. " "This will only be used when warmup-ratio is 0.", ) parser.add_argument( "--warmup-ratio-or-step", type=float, default=0.1, help="The ratio of warmup steps out of the total training steps. Default is 0.1. " "If warmup-ratio is above 0, will use a cosine scheduler with warmup. If " "the value is above 1, will use it as the number of warmup steps.", ) parser.add_argument( "--no-cls", action="store_true", help="Whether to deactivate the classification loss. Default is False.", ) parser.add_argument( "--no-cce", action="store_true", help="Whether to deactivate the contrastive cell embedding objective. " "Default is False.", ) parser.add_argument( "--fp16", action="store_true", help="Whether to train in automatic mixed precision. Default is False.", ) parser.add_argument( "--fast-transformer", type=bool, default=True, help="Whether to use the fast transformer. Default is True.", ) # settings for model parser.add_argument( "--nlayers", type=int, default=4, help="The number of layers for the transformer. Default is 4.", ) parser.add_argument( "--nheads", type=int, default=4, help="The number of heads for the transformer. Default is 4.", ) parser.add_argument( "--embsize", type=int, default=64, help="The embedding size for the transformer. Default is 64.", ) parser.add_argument( "--d-hid", type=int, default=64, help="dimension of the feedforward network model in the transformer. " "Default is 64.", ) parser.add_argument( "--dropout", type=float, default=0.2, help="The dropout rate. Default is 0.2.", ) parser.add_argument( "--n-layers-cls", type=int, default=3, help="The number of layers for the classification network, including the " "output layer. Default is 3.", ) # settings for logging parser.add_argument( "--log-interval", type=int, default=100, help="The interval for logging. Default is 100.", ) parser.add_argument( "--save-interval", type=int, default=1000, help="The interval for saving the model. Default is 1000.", ) args = parser.parse_args() # args.pad_value = -2 if args.input_style == "binned": if args.input_emb_style == "scaling": raise ValueError("input_emb_style `scaling` is not supported for binned input.") elif args.input_style == "log1p" or args.input_style == "normed_raw": if args.input_emb_style == "category": raise ValueError( "input_emb_style `category` is not supported for log1p or normed_raw input." ) if args.input_emb_style == "category": args.mask_value = args.n_bins + 1 args.pad_value = args.n_bins # for padding gene expr values n_input_bins = args.n_bins + 2 else: args.mask_value = -1 args.pad_value = -2 n_input_bins = args.n_bins def _map_append_cls(dataset: Dataset) -> Dataset: dataset = dataset.map( lambda example: { "genes": [vocab[""]] + example["genes"], "expressions": [args.pad_value] + example["expressions"], }, # batched=True, # not using since then the map func needs to loop num_proc=len(os.sched_getaffinity(0)), ) return dataset special_tokens = [args.pad_token, "", ""] parquet_files = [str(f) for f in Path(args.data_source).glob("*.parquet")] cache_dir = Path(args.data_source).parent / "cache" vocab = GeneVocab.from_file(Path(args.vocab_path)) for s in special_tokens: if s not in vocab: vocab.append_token(s) # load or make the dataset w/ appended at the beginning cls_prefix_datatable = Path(args.data_source) / "cls_prefix_data.parquet" if not cls_prefix_datatable.exists(): print("preparing cls prefix dataset") raw_dataset = load_dataset( "parquet", data_files=parquet_files, split="train", cache_dir=str(cache_dir), ) raw_dataset = _map_append_cls(raw_dataset) raw_dataset.to_parquet(str(cls_prefix_datatable)) raw_dataset = load_dataset( "parquet", data_files=str(cls_prefix_datatable), split="train", cache_dir=str(cache_dir), ) # others, pancreas, lung, kidney, heart, blood