""" Training script for nonlinear Poisson equation using GINO. This script trains a Graph Neural Operator (GINO) on the nonlinear Poisson equation with boundary conditions. The model learns to solve elliptic PDEs with complex geometries and boundary conditions using graph-based representations. """ import sys import torch import wandb from torch.nn.parallel import DistributedDataParallel as DDP import torch.nn.functional as F # Set warning filter to show each warning only once import warnings warnings.filterwarnings("once", category=UserWarning) from neuralop.losses.data_losses import LpLoss, MSELoss from neuralop.training import Trainer, setup from neuralop.data.datasets.nonlinear_poisson import load_nonlinear_poisson_pt from neuralop.losses.equation_losses import PoissonBoundaryLoss, PoissonEqnLoss from neuralop.losses.meta_losses import WeightedSumLoss from neuralop.models import get_model 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.poisson_gino_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_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_name, config.model.in_gno_radius, config.model.out_gno_radius, config.model.gno_weighting_function, config.model.gno_weight_function_scale, config.model.fno_n_modes, config.model.fno_n_layers, config.data.n_train, config.data.n_test, ] ) 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) else: wandb_init_args = None # 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) sys.stdout.flush() # Load the nonlinear Poisson dataset train_loader, test_loader, data_processor = load_nonlinear_poisson_pt( data_path=config.data.file, query_res=config.data.query_resolution, n_train=config.data.n_train, n_test=config.data.n_test, n_in=config.data.n_in, n_out=config.data.n_out, n_eval=config.data.n_eval, n_bound=config.data.n_bound, val_on_same_instance=config.data.single_instance, train_out_res=config.data.train_out_res, input_min_sample_points=config.data.input_min, input_max_sample_points=config.data.input_max, input_subsample_level=config.data.sample_random_in, output_subsample_level=config.data.sample_random_out, return_dict=config.data.return_queries_dict, ) # Create test loaders dictionary test_loaders = {"test": test_loader} # Model initialization model = get_model(config) model = model.to(device) # Distributed data parallel setup if config.distributed.use_distributed: model = DDP( model, device_ids=[device.index], output_device=device.index, static_graph=True ) # Create the optimizer optimizer = torch.optim.Adam( 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}") # Create the losses: MSE and relative L2 mse_loss = MSELoss() l2_loss = LpLoss(d=2, p=2) class GINOLoss(object): """ Custom loss wrapper for GINO models that handle dictionary outputs. This loss function concatenates dictionary outputs from GINO models before applying the base loss function. """ def __init__(self, base_loss): super().__init__() self.base_loss = base_loss def __call__(self, out, y, **kwargs): """ Apply loss to GINO model outputs. Parameters ---------- out : dict or torch.Tensor Model output, either dictionary of field outputs or tensor y : dict or torch.Tensor Ground truth, either dictionary of field targets or tensor **kwargs Additional arguments passed to base loss Returns ------- torch.Tensor Computed loss value """ if kwargs: warnings.warn( f"GINOLoss.__call__() received unexpected keyword arguments: {list(kwargs.keys())}. " "These arguments will be ignored.", UserWarning, stacklevel=2 ) if isinstance(out, dict) and isinstance(y, dict): y = torch.cat([y[field] for field in out.keys()], dim=1) out = torch.cat([out[field] for field in out.keys()], dim=1) return self.base_loss(out, y, **kwargs) gino_mseloss = GINOLoss(mse_loss) training_loss = config.opt.training_loss if not isinstance(training_loss, (tuple, list)): training_loss = [training_loss] losses = [] weights = [] if "mse" in training_loss: losses.append(gino_mseloss) weights.append(config.opt.loss_weights.get("mse", 1.0)) if "equation" in training_loss: equation_loss = PoissonEqnLoss( interior_weight=config.opt.loss_weights.get("interior", 1.0), boundary_weight=config.opt.loss_weights.get("boundary", 1.0), diff_method=config.opt.get("pino_method", "autograd"), ) losses.append(equation_loss) weights.append(1) if len(losses) == 1: train_loss = losses[0] else: train_loss = WeightedSumLoss(losses=losses, weights=weights) eval_losses = {"mse": mse_loss, "relative_l2": l2_loss} 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) wandb.watch(model) # Start training process trainer.train( train_loader, test_loaders, optimizer, scheduler, regularizer=None, training_loss=train_loss, eval_losses=eval_losses, ) # Finalize WandB logging if config.wandb.log and is_logger: wandb.finish()