""" Training script for Navier-Stokes equation using neural operators. This script trains a neural operator on the 2D Navier-Stokes equations for fluid dynamics simulation. The model learns to predict velocity fields from initial conditions, supporting multiple resolutions and distributed training. """ import sys from pathlib import Path import torch from torch.utils.data import DataLoader, DistributedSampler import torch.distributed as dist import wandb from neuralop import H1Loss, LpLoss, Trainer, get_model from neuralop.data.datasets.navier_stokes import load_navier_stokes_pt from neuralop.data.transforms.data_processors import MGPatchingDataProcessor from neuralop.utils import get_wandb_api_key, count_model_params from neuralop.mpu.comm import get_local_rank from neuralop.training import setup, AdamW # Configuration setup config_name = "default" from zencfg import make_config_from_cli import sys sys.path.insert(0, "../") from config.navier_stokes_config import Default config = make_config_from_cli(Default) config = config.to_dict() # Distributed training setup, if enabled device, is_logger = setup(config) # WandB logging configuration wandb_init_args = None if config.wandb.log and is_logger: print(config.wandb.log) print(config) 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_name, config.model.n_layers, config.model.n_modes, config.model.hidden_channels, config.model.factorization, config.model.rank, config.patching.levels, config.patching.padding, ] ) wandb_init_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_init_args) # Make sure we only print information when needed config.verbose = config.verbose and is_logger # Print configuration details if config.verbose: print(f"##### CONFIG #####\n") print(config) # Data directory setup data_dir = Path(config.data.folder).expanduser() # Load the Navier-Stokes dataset train_loader, test_loaders, data_processor = load_navier_stokes_pt( data_root=data_dir, train_resolution=config.data.train_resolution, n_train=config.data.n_train, batch_size=config.data.batch_size, test_resolutions=config.data.test_resolutions, n_tests=config.data.n_tests, test_batch_sizes=config.data.test_batch_sizes, encode_input=config.data.encode_input, encode_output=config.data.encode_output, ) # Model initialization model = get_model(config) model = model.to(device) # convert dataprocessor to an MGPatchingDataprocessor if patching levels > 0 if config.patching.levels > 0: data_processor = MGPatchingDataProcessor( model=model, in_normalizer=data_processor.in_normalizer, out_normalizer=data_processor.out_normalizer, padding_fraction=config.patching.padding, stitching=config.patching.stitching, levels=config.patching.levels, use_distributed=config.distributed.use_distributed, ) data_processor = data_processor.to(device) # Distributed data parallel setup # Reconfigure DataLoaders to use a DistributedSampler if in distributed mode if config.distributed.use_distributed: train_db = train_loader.dataset train_sampler = DistributedSampler(train_db, rank=get_local_rank()) train_loader = DataLoader( 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=2, p=2) h1loss = H1Loss(d=2) 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: 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, data_processor=data_processor, device=device, mixed_precision=config.opt.mixed_precision, eval_interval=config.opt.eval_interval, log_output=config.wandb.log_output, use_distributed=config.distributed.use_distributed, verbose=config.verbose, wandb_log=config.wandb.log, ) # 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 trainer.train( train_loader, test_loaders, optimizer, scheduler, regularizer=False, training_loss=train_loss, eval_losses=eval_losses, ) # Finalize WandB logging if config.wandb.log and is_logger: wandb.finish() # Clean up distributed training if dist.is_initialized(): dist.destroy_process_group()