"""Module for launching experiments.""" from __future__ import annotations from collections.abc import Iterator from functools import partial from pathlib import Path from typing import Callable import chex import flax.linen as nn import jax import jax.numpy as jnp import numpy as np import pandas as pd from flax import jax_utils from hydra.utils import instantiate from omegaconf import DictConfig from tqdm import tqdm from imgx import REPLICA_AXIS from imgx.data.augmentation import AugmentationFn, chain_aug_fns from imgx.data.augmentation.affine import get_random_affine_augmentation_fn from imgx.data.augmentation.intensity import ( get_random_gamma_augmentation_fn, get_rescale_intensity_fn, rescale_intensity, ) from imgx.data.augmentation.patch import ( batch_patch_grid_mean_aggregate, batch_patch_grid_sample, get_patch_grid, get_random_patch_fn, ) from imgx.data.util import unpad from imgx.datasets.constant import IMAGE, LABEL, LABEL_PRED, UID from imgx.datasets.dataset_info import DatasetInfo from imgx.device import bind_rng_to_host_or_device, get_first_replica_values, unshard from imgx.experiment import Experiment from imgx.loss.segmentation import segmentation_loss from imgx.metric.segmentation import get_segmentation_metrics from imgx.metric.util import aggregate_metrics, merge_aggregated_metrics from imgx.task.segmentation.save import save_segmentation_prediction from imgx.task.util import decode_uids from imgx.train_state import ( TrainState, create_train_state, get_gradients, get_half_precision_dtype, get_optimization_metrics, restore_checkpoint, update_train_state, ) def initialized(key: jax.Array, batch: dict[str, jnp.ndarray], model: nn.Module) -> chex.ArrayTree: """Initialize model parameters and batch statistics. Args: key: random key. batch: batch data for determining input shapes. model: model. Returns: model parameters. """ def init(*args) -> chex.ArrayTree: # type: ignore[no-untyped-def] return model.init(*args) variables = jax.jit(init, backend="cpu", static_argnums=(1,))( {"params": key}, False, batch[IMAGE] # is_train ) return variables["params"] def get_loss_step( train_state: TrainState, dataset_info: DatasetInfo, config: DictConfig, ) -> Callable[ [chex.ArrayTree, chex.ArrayTree, jax.Array], tuple[jnp.ndarray, tuple[jnp.ndarray, chex.ArrayTree]], ]: """Return loss_step. Args: train_state: train state. dataset_info: dataset info to transform label to mask. config: entire configuration. Returns: loss_step: loss step function. """ def loss_step( params: chex.ArrayTree, batch: dict[str, jnp.ndarray], key: jax.Array, ) -> tuple[jnp.ndarray, tuple[jnp.ndarray, chex.ArrayTree]]: """Apply forward and calculate loss.""" logits = train_state.apply_fn( {"params": params}, True, # is_train batch[IMAGE], rngs={"dropout": key}, ) loss_batch, loss_metrics = segmentation_loss( logits=logits, label=batch[LABEL], dataset_info=dataset_info, loss_config=config.task.loss, ) loss = jnp.mean(loss_batch) loss_metrics = aggregate_metrics(loss_metrics) return loss, (logits, loss_metrics) return loss_step def train_step( train_state: TrainState, batch: dict[str, jnp.ndarray], key: jax.Array, aug_fn: Callable[[jax.Array, chex.ArrayTree], chex.ArrayTree], dataset_info: DatasetInfo, config: DictConfig, ) -> tuple[TrainState, chex.ArrayTree]: """Perform a training step. Args: train_state: training state. batch: training data. key: random key. aug_fn: data augmentation function. dataset_info: dataset info with helper functions. config: entire configuration. Returns: - new training state. - metric dict. """ # define loss step loss_step = get_loss_step( train_state=train_state, dataset_info=dataset_info, config=config, ) # augment, calculate gradients, update train state key = bind_rng_to_host_or_device(key, bind_to="device", axis_name=REPLICA_AXIS) key = jax.random.fold_in(key=key, data=train_state.step) key_aug, key_loss = jax.random.split(key) batch = aug_fn(key_aug, batch) dynamic_scale, is_fin, aux, grads = get_gradients( train_state, loss_step, input_dict={"batch": batch, "key": key_loss} ) new_state = update_train_state(train_state, dynamic_scale, is_fin, grads) # values in metrics are scalars _, metrics = aux[1] # add optimization metrics metrics_optim = get_optimization_metrics( grads=grads, train_state=new_state, config=config, ) metrics = {**metrics, **metrics_optim} return new_state, metrics def eval_step( train_state: TrainState, batch: dict[str, jnp.ndarray], config: DictConfig, ) -> jnp.ndarray: """Perform an evaluation step. Args: train_state: training state. batch: training data without shard axis. config: entire config. Returns: logits, shape starts with (batch, ...). """ patch_shape = tuple(config.data.loader.patch_shape) patch_overlap = tuple(config.data.loader.patch_overlap) image_shape = batch[IMAGE].shape[1:-1] patch_start_indices = get_patch_grid( image_shape=image_shape, patch_shape=patch_shape, patch_overlap=patch_overlap, ) num_patches = patch_start_indices.shape[0] # (batch, num_patches, *patch_shape, num_channels) image_patches = batch_patch_grid_sample( x=batch[IMAGE], start_indices=patch_start_indices, patch_shape=patch_shape, ) # inference per patch logits_patches = [] for i in range(num_patches): image_i = rescale_intensity( image_patches[:, i, ...], v_min=config.data.loader.data_augmentation.v_min, v_max=config.data.loader.data_augmentation.v_max, ) # (batch, *spatial_shape, num_classes) logits_i = train_state.apply_fn( {"params": train_state.params}, False, # is_train image_i, ) logits_patches.append(logits_i) # (batch, num_patches, *patch_shape, num_classes) logits = jnp.stack(logits_patches, axis=1) # aggregate patch logits # (batch, *image_shape, num_classes) logits = batch_patch_grid_mean_aggregate( x_patch=logits, start_indices=patch_start_indices, image_shape=image_shape, ) return logits class SegmentationExperiment(Experiment): """Experiment for supervised training.""" def train_init( self, batch: dict[str, jnp.ndarray], ckpt_dir: Path | None = None, step: int | None = None ) -> tuple[TrainState, int]: """Initialize data loader, loss, networks for training. Args: batch: training data for multi-devices. ckpt_dir: checkpoint directory to restore from. step: checkpoint step to restore from, if None use the latest one. Returns: initialized training state. """ # the batch is for multi-devices # (num_models, ...) # num_models is not the same as num_devices_per_replica batch = get_first_replica_values(batch) # data augmentation aug_fns: list[AugmentationFn] = [] aug_fns += [ get_random_affine_augmentation_fn(self.config), get_random_patch_fn(self.config), get_random_gamma_augmentation_fn(self.config), get_rescale_intensity_fn(self.config), ] aug_fn = chain_aug_fns(aug_fns) aug_rng = jax.random.PRNGKey(self.config["seed"]) batch = aug_fn(aug_rng, batch) # init train state on cpu first dtype = get_half_precision_dtype(self.config.half_precision) model = instantiate(self.config.task.model, dtype=dtype) with jax.default_device(jax.devices("cpu")[0]): train_state = create_train_state( key=jax.random.PRNGKey(self.config.seed), batch=batch, model=model, config=self.config, initialized=initialized, ) # resume training if ckpt_dir is not None: train_state = restore_checkpoint(state=train_state, ckpt_dir=ckpt_dir, step=step) # step_offset > 0 if restarting from checkpoint step_offset = int(train_state.step) train_state = jax_utils.replicate(train_state) self.p_train_step = jax.pmap( partial( train_step, aug_fn=aug_fn, dataset_info=self.dataset_info, config=self.config, ), axis_name=REPLICA_AXIS, donate_argnums=(0,), ) self.p_eval_step = jax.pmap( partial( eval_step, config=self.config, ), axis_name=REPLICA_AXIS, ) return train_state, step_offset def eval_step( # pylint:disable=too-many-statements self, train_state: TrainState, iterator: Iterator[dict[str, jnp.ndarray]], num_steps: int, key: jax.Array, out_dir: Path | None = None, ) -> dict[str, jnp.ndarray]: """Evaluation on entire validation data set. Args: train_state: training state. iterator: data iterator. num_steps: number of steps for evaluation. key: random key, (num_shards,). out_dir: output directory, if not None, predictions will be saved. Returns: metric dict. Raises: ValueError: if split is not supported. """ device_cpu = jax.devices("cpu")[0] lst_metrics = [] lst_uids = [] for _ in tqdm(range(num_steps), total=num_steps): batch = next(iterator) # get uids uids = batch.pop(UID) uids = uids.reshape(-1) # remove shard axis uids = decode_uids(uids) # evaluate the batch uids, metrics, preds = self.eval_batch( train_state=train_state, key=key, batch=batch, uids=uids, device_cpu=device_cpu, ) save_segmentation_prediction( label_pred=preds[LABEL_PRED], uids=uids, out_dir=out_dir, tfds_dir=self.dataset_info.tfds_preprocessed_dir, ) lst_uids += uids lst_metrics.append(metrics) # https://github.com/google/jax/issues/10828 jax.clear_caches() # concatenate metrics across all samples # metrics, values of shape (num_samples,) metrics = jax.tree_map(lambda *args: np.concatenate(args), *lst_metrics) # aggregate metrics agg_metrics = merge_aggregated_metrics(metrics) agg_metrics = jax.tree_map(lambda x: x.item(), agg_metrics) agg_metrics["num_samples"] = len(lst_uids) # save a csv file with per-sample metrics if out_dir is not None: metrics = jax.tree_map(lambda x: x.tolist(), metrics) df_metric = pd.DataFrame(metrics) df_metric[UID] = lst_uids df_metric.to_csv(out_dir / "metrics_per_sample.csv", index=False) return agg_metrics def eval_batch( self, train_state: TrainState, key: jax.Array, # noqa: ARG002 batch: dict[str, jnp.ndarray], uids: list[str], device_cpu: jax.Device, ) -> tuple[list[str], dict[str, np.ndarray], dict[str, np.ndarray]]: """Evaluate a batch. Args: train_state: training state. key: random key. batch: batch data without uid. uids: uids in the batch, potentially including padded samples. device_cpu: cpu device. Returns: uids: uids in the batch, excluding padded samples. metrics: each item has shape (num_samples,). prediction dict: each item has shape (num_samples, ...). """ logits = self.p_eval_step(train_state, batch) # logits (num_shards*batch, *spatial_shape, num_classes) # label (num_shards*batch, *spatial_shape) logits = unshard(logits, device=device_cpu) label = unshard(batch[LABEL], device=device_cpu) # remove padded examples num_samples_in_batch = len(uids) if "" in uids: num_samples_in_batch = uids.index("") logits = unpad(logits, num_samples_in_batch) label = unpad(label, num_samples_in_batch) uids = uids[:num_samples_in_batch] # (batch,) per metric # TODO: when parsing data there may be zero padding, should remove these metrics, label_pred = get_segmentation_metrics( logits=logits, label_pred=None, label_true=label, dataset_info=self.dataset_info, ) # change to numpy array metrics = jax.tree_map(np.asarray, metrics) label_pred = np.asarray(label_pred, dtype=np.int8) preds = {LABEL_PRED: label_pred} return uids, metrics, preds