""" Training script for MHD64 dataset using neural operators. This script trains a neural operator on the 3D magnetohydrodynamics (MHD) dataset with 64x64x64 resolution. The model learns to predict the next time step in the MHD simulation, supporting both next-step prediction and autoregressive evaluation modes. """ import sys from configmypy import ConfigPipeline, YamlConfig, ArgparseConfig from pathlib import Path import torch from torch.utils.data import DataLoader, DistributedSampler import wandb from neuralop import H1Loss, LpLoss, Trainer, get_model from neuralop.data.datasets.the_well_dataset import MHD64Dataset from neuralop.data.transforms.data_processors import MGPatchingDataProcessor from neuralop.training import setup, AdamW from neuralop.mpu.comm import get_local_rank from neuralop.utils import get_wandb_api_key, count_model_params # Configuration setup config_name = "default" from zencfg import make_config_from_cli import sys sys.path.insert(0, "../") from config.the_well.mhd_64_config import Default config = make_config_from_cli(Default) config = config.to_dict() # Distributed training setup, if enabled device, is_logger = setup(config) # Set up WandB logging wandb_args = None if config.wandb.log and is_logger: wandb.login(key=get_wandb_api_key()) if config.wandb.name: wandb_name = config.wandb.name else: wandb_name = "_".join( f"{var}" for var in [ config.model.model_arch, config.model.n_layers, config.model.n_modes, config.model.hidden_channels, ] ) wandb_args = dict( config=config, name=wandb_name, group=config.wandb.group, project=config.wandb.project, entity=config.wandb.entity, ) if config.wandb.sweep: for key in wandb.config.keys(): config.params[key] = wandb.config[key] wandb.init(**wandb_args) # Make sure we only print information when needed config.verbose = config.verbose and is_logger # Print configuration details if config.verbose and is_logger: print(f"##### CONFIG #####\n\n{config}\n") sys.stdout.flush() # Load the MHD64 dataset dataset = MHD64Dataset( root_dir=Path(config.data.root).expanduser(), train_task="next_step", eval_tasks=["next_step", "autoregression"], first_only=True, ) # Print dataset metadata print(dataset.train_db.metadata.n_steps_per_trajectory) # Create data loaders train_loader = DataLoader(dataset.train_db, batch_size=config.data.batch_size) test_loaders = {} for mode, db in dataset.test_dbs.items(): test_loaders[mode] = DataLoader(db, batch_size=config.data.test_batch_size) # Get data processor from dataset data_processor = dataset.data_processor print(data_processor) # Model initialization model = get_model(config) # convert dataprocessor to an MGPatchingDataprocessor if patching levels > 0 if config.patching.levels > 0: data_processor = MGPatchingDataProcessor( model=model, in_normalizer=data_processor.normalizer, out_normalizer=data_processor.normalizer, padding_fraction=config.patching.padding, stitching=config.patching.stitching, levels=config.patching.levels, use_distributed=config.distributed.use_distributed, device=device, ) # Reconfigure DataLoaders to use a DistributedSampler # if in distributed data parallel mode """if config.distributed.use_distributed: train_sampler = DistributedSampler(dataset.train_db, rank=get_local_rank()) train_loader = DataLoader(dataset=dataset.train_db, batch_size=config.data.batch_size, sampler=train_sampler) for (res, loader), batch_size in zip(test_loaders.items(), config.data.test_batch_sizes): test_db = loader.dataset test_sampler = DistributedSampler(test_db, rank=get_local_rank()) test_loaders[res] = DataLoader(dataset=test_db, batch_size=batch_size, shuffle=False, sampler=test_sampler)""" # Create the optimizer optimizer = AdamW( model.parameters(), lr=config.opt.learning_rate, weight_decay=config.opt.weight_decay, ) if config.opt.scheduler == "ReduceLROnPlateau": scheduler = torch.optim.lr_scheduler.ReduceLROnPlateau( optimizer, factor=config.opt.gamma, patience=config.opt.scheduler_patience, mode="min", ) elif config.opt.scheduler == "CosineAnnealingLR": scheduler = torch.optim.lr_scheduler.CosineAnnealingLR( optimizer, T_max=config.opt.scheduler_T_max ) elif config.opt.scheduler == "StepLR": scheduler = torch.optim.lr_scheduler.StepLR( optimizer, step_size=config.opt.step_size, gamma=config.opt.gamma ) else: raise ValueError(f"Got scheduler={config.opt.scheduler}") # Loss function configuration l2loss = LpLoss(d=3, p=2) h1loss = H1Loss(d=3) if config.opt.training_loss == "l2": train_loss = l2loss elif config.opt.training_loss == "h1": train_loss = h1loss else: raise ValueError( f"Got training_loss={config.opt.training_loss}" f'but expected one of ["l2", "h1"]' ) eval_losses = {"h1": h1loss, "l2": l2loss} if config.verbose and is_logger: print("\n### MODEL ###\n", model) print("\n### OPTIMIZER ###\n", optimizer) print("\n### SCHEDULER ###\n", scheduler) print("\n### LOSSES ###") print(f"\n * Train: {train_loss}") print(f"\n * Test: {eval_losses}") print(f"\n### Beginning Training...\n") sys.stdout.flush() trainer = Trainer( model=model, n_epochs=config.opt.n_epochs, device=device, data_processor=data_processor, mixed_precision=config.opt.mixed_precision, wandb_log=config.wandb.log, eval_interval=config.opt.eval_interval, log_output=config.wandb.log_output, use_distributed=config.distributed.use_distributed, verbose=config.verbose and is_logger, ) # Log model parameter count if is_logger: n_params = count_model_params(model) if config.verbose: print(f"\nn_params: {n_params}") sys.stdout.flush() if config.wandb.log: to_log = {"n_params": n_params} if config.n_params_baseline is not None: to_log["n_params_baseline"] = (config.n_params_baseline,) to_log["compression_ratio"] = (config.n_params_baseline / n_params,) to_log["space_savings"] = 1 - (n_params / config.n_params_baseline) wandb.log(to_log, commit=False) wandb.watch(model) # Start training process with autoregressive evaluation trainer.train( train_loader=train_loader, test_loaders=test_loaders, eval_modes={"autoregression": "autoregression"}, optimizer=optimizer, scheduler=scheduler, regularizer=False, training_loss=train_loss, eval_losses=eval_losses, ) # Finalize WandB logging if config.wandb.log and is_logger: wandb.finish()