"""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 jax import lax 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.diffusion.time_sampler import TimeSampler from imgx.experiment import Experiment from imgx.metric.segmentation import get_segmentation_metrics_per_step from imgx.metric.util import merge_aggregated_metrics from imgx.task.diffusion_segmentation.diffusion import DiffusionSegmentation from imgx.task.diffusion_segmentation.diffusion_step import get_diffusion_loss_step from imgx.task.diffusion_segmentation.gaussian_diffusion import ( DDIMSegmentationSampler, DDPMSegmentationSampler, GaussianDiffusionSegmentation, ) from imgx.task.diffusion_segmentation.recycling_step import get_recycling_loss_step from imgx.task.diffusion_segmentation.save import save_diffusion_segmentation_prediction from imgx.task.diffusion_segmentation.self_conditioning_step import get_self_conditioning_loss_step from imgx.task.diffusion_segmentation.train_state import TrainState, create_train_state from imgx.task.util import decode_uids from imgx.train_state import ( 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, dataset_info: DatasetInfo, self_conditioning: bool, ) -> chex.ArrayTree: """Initialize model parameters and batch statistics. Args: key: random key. batch: batch data for determining input shapes. model: model. dataset_info: dataset info to transform label to mask. self_conditioning: whether to use self conditioning. Returns: model parameters. """ def init(*args) -> chex.ArrayTree: # type: ignore[no-untyped-def] return model.init(*args) image = batch[IMAGE] label = batch[LABEL] batch_size = image.shape[0] mask = dataset_info.label_to_mask(label, axis=-1, dtype=image.dtype) if self_conditioning: mask = jnp.concatenate([mask, jnp.zeros_like(mask)], axis=-1) t = jnp.zeros((batch_size,), dtype=image.dtype) variables = jax.jit(init, backend="cpu", static_argnums=(1,))( {"params": key}, False, image, mask, t # is_train ) return variables["params"] def get_importance_sampling_metrics( loss_count_hist: jnp.ndarray, loss_sq_hist: jnp.ndarray, time_sampler: TimeSampler, ) -> dict[str, jnp.ndarray]: """Get importance sampling metrics. Args: loss_count_hist: count of time steps, shape (num_timesteps, ). loss_sq_hist: weighted average of squared loss, shape (num_timesteps, ). time_sampler: time sampler for training. Returns: metrics: metrics dict. """ metrics = {} probs = time_sampler.t_probs_from_loss_sq(loss_sq_hist) entropy = -jnp.sum(probs * jnp.log(probs)) metrics["loss_hist_entropy"] = entropy metrics["mean_loss_count_hist"] = jnp.mean(loss_count_hist) metrics["median_loss_count_hist"] = jnp.median(loss_count_hist) metrics["min_loss_count_hist"] = jnp.min(loss_count_hist) metrics["max_loss_count_hist"] = jnp.max(loss_count_hist) metrics["mean_loss_sq_hist"] = jnp.mean(loss_sq_hist) metrics["min_loss_sq_hist"] = jnp.min(loss_sq_hist) metrics["max_loss_sq_hist"] = jnp.max(loss_sq_hist) return metrics def sample_logits_progressive( train_state: TrainState, image: jnp.ndarray, key: jax.Array, dataset_info: DatasetInfo, diffusion_model: DiffusionSegmentation, self_conditioning: bool, ) -> Iterator[jnp.ndarray]: """Generate segmentation mask logits conditioned on image. The noise here is defined on segmentation mask. Args: train_state: training state. image: image, (batch, ..., in_channels). key: random key. dataset_info: dataset info to transform label to mask. diffusion_model: segmentation diffusion model. self_conditioning: whether to use self conditioning. Yields: logits, (batch, ..., num_classes) """ batch_size = image.shape[0] noise_shape = (*image.shape[:-1], dataset_info.num_classes) key_noise, key = jax.random.split(key=key) x_t = diffusion_model.sample_noise(key=key_noise, shape=noise_shape, dtype=image.dtype) mask_pred = jnp.zeros_like(diffusion_model.x_to_mask(x_t)) for t_index_scalar in reversed(range(diffusion_model.num_timesteps)): key_t, key = jax.random.split(key=key) t_index = jnp.full((batch_size,), t_index_scalar, dtype=jnp.int32) t = diffusion_model.t_index_to_t(t_index) mask_t = diffusion_model.x_to_mask(x_t) if self_conditioning: mask_t = jnp.concatenate([mask_t, mask_pred], axis=-1) model_out = train_state.apply_fn( {"params": train_state.params}, False, # is_train image, mask_t, t, ) x_t, x_start = diffusion_model.sample( key=key_t, model_out=model_out, x_t=x_t, t_index=t_index, ) mask_pred = diffusion_model.x_to_mask(x_start) yield diffusion_model.x_to_logits(x_start) 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, diffusion_model: DiffusionSegmentation, time_sampler: TimeSampler, ) -> 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 config. diffusion_model: segmentation diffusion model. time_sampler: time sampler for training. Returns: - new training state. - metric dict. """ if config.task.recycling.use and config.task.self_conditioning.use: raise ValueError("recycling and self-conditioning cannot be used together.") if config.task.recycling.use: loss_step = get_recycling_loss_step( train_state=train_state, dataset_info=dataset_info, diffusion_model=diffusion_model, time_sampler=time_sampler, loss_config=config.task.loss, prev_step=config.task.recycling.prev_step, reverse_step=config.task.recycling.reverse_step, ) elif config.task.self_conditioning.use: loss_step = get_self_conditioning_loss_step( train_state=train_state, dataset_info=dataset_info, diffusion_model=diffusion_model, time_sampler=time_sampler, loss_config=config.task.loss, prev_step=config.task.self_conditioning.prev_step, probability=config.task.self_conditioning.probability, ) else: loss_step = get_diffusion_loss_step( train_state=train_state, dataset_info=dataset_info, diffusion_model=diffusion_model, time_sampler=time_sampler, loss_config=config.task.loss, ) # 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, loss_batch, t_index = aux[1] # sync loss_batch, t_index across replicas # then update loss history # (num_shards*batch, ) loss_batch = lax.all_gather(loss_batch, axis_name=REPLICA_AXIS).reshape((-1,)) t_index = lax.all_gather(t_index, axis_name=REPLICA_AXIS).reshape((-1,)) loss_count_hist, loss_sq_hist = time_sampler.update_stats( loss_batch=loss_batch, t_index=t_index, loss_count_hist=train_state.loss_count_hist, loss_sq_hist=train_state.loss_sq_hist, ) new_state = new_state.replace( loss_count_hist=loss_count_hist, loss_sq_hist=loss_sq_hist, ) metrics_hist = get_importance_sampling_metrics(loss_count_hist, loss_sq_hist, time_sampler) metrics = { **metrics, **metrics_hist, } # 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], key: jax.Array, dataset_info: DatasetInfo, config: DictConfig, diffusion_model: DiffusionSegmentation, ) -> jnp.ndarray: """Perform an evaluation step. Args: train_state: training state. batch: training data without shard axis. key: random key. dataset_info: dataset info with helper functions. config: entire config. diffusion_model: segmentation diffusion model. Returns: logits, shape starts with (batch, ..., num_timesteps). """ key = bind_rng_to_host_or_device(key, bind_to="device", axis_name=REPLICA_AXIS) 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): # (batch, *spatial_shape, num_classes, num_timesteps) key_i, key = jax.random.split(key) 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, ) lst_logits_i = list( sample_logits_progressive( train_state=train_state, image=image_i, key=key_i, dataset_info=dataset_info, diffusion_model=diffusion_model, self_conditioning=config.task.self_conditioning.use, ) ) logits_i = jnp.stack(lst_logits_i, axis=-1) logits_patches.append(logits_i) # (batch, num_patches, *patch_shape, num_classes, num_timesteps) logits = jnp.stack(logits_patches, axis=1) # aggregate patch logits # (batch, *image_shape, num_classes, num_timesteps) logits = batch_patch_grid_mean_aggregate( x_patch=logits, start_indices=patch_start_indices, image_shape=image_shape, ) return logits class DiffusionSegmentationExperiment(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=partial( initialized, dataset_info=self.dataset_info, self_conditioning=self.config.task.self_conditioning.use, ), ) # 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) # training only train_diffusion_model = GaussianDiffusionSegmentation.create( classes_are_exclusive=self.dataset_info.classes_are_exclusive, num_timesteps=self.config.task.diffusion.num_timesteps, num_timesteps_beta=self.config.task.diffusion.num_timesteps_beta, beta_schedule=self.config.task.diffusion.beta_schedule, beta_start=self.config.task.diffusion.beta_start, beta_end=self.config.task.diffusion.beta_end, model_out_type=self.config.task.diffusion.model_out_type, model_var_type=self.config.task.diffusion.model_var_type, ) time_sampler = TimeSampler( num_timesteps=self.config.task.diffusion.num_timesteps, uniform_time_sampling=self.config.task.uniform_time_sampling, ) # evaluation only if self.config.task.sampler.name == "DDPM": eval_diffusion_model_cls = DDPMSegmentationSampler elif self.config.task.sampler.name == "DDIM": eval_diffusion_model_cls = DDIMSegmentationSampler # type: ignore[assignment] else: raise ValueError(f"Sampler {self.config.task.diffusion.sampler.name} not supported.") eval_diffusion_model = eval_diffusion_model_cls.create( classes_are_exclusive=self.dataset_info.classes_are_exclusive, num_timesteps=self.config.task.sampler.num_inference_timesteps, # different from train num_timesteps_beta=self.config.task.diffusion.num_timesteps_beta, beta_schedule=self.config.task.diffusion.beta_schedule, beta_start=self.config.task.diffusion.beta_start, beta_end=self.config.task.diffusion.beta_end, model_out_type=self.config.task.diffusion.model_out_type, model_var_type=self.config.task.diffusion.model_var_type, ) self.p_train_step = jax.pmap( partial( train_step, aug_fn=aug_fn, dataset_info=self.dataset_info, config=self.config, diffusion_model=train_diffusion_model, time_sampler=time_sampler, ), axis_name=REPLICA_AXIS, donate_argnums=(0,), ) self.p_eval_step = jax.pmap( partial( eval_step, dataset_info=self.dataset_info, config=self.config, diffusion_model=eval_diffusion_model, ), 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. out_dir: output directory, if not None, predictions will be saved. Returns: metric dict. """ device_cpu = jax.devices("cpu")[0] lst_metrics = [] lst_uids = [] for i in tqdm(range(num_steps), total=num_steps): key_batch = jax.vmap(jax.random.fold_in, in_axes=(0, None))(key, i) 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=batch, uids=uids, device_cpu=device_cpu, ) save_diffusion_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, 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. 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 (num_shards*batch, *spatial_shape, num_classes) # label (num_shards*batch, *spatial_shape) logits = self.p_eval_step(train_state, batch, key) 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("") uids = uids[:num_samples_in_batch] logits = unpad(logits, num_samples_in_batch) label = unpad(label, num_samples_in_batch) # (batch,) per metric metrics, label_pred = get_segmentation_metrics_per_step( logits=logits, label=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