from __future__ import annotations import sys import time from pathlib import Path import numpy as np import torch PROJECT_ROOT = Path(__file__).resolve().parents[1] sys.path.insert(0, str(PROJECT_ROOT)) sys.path.insert(0, str(Path(__file__).resolve().parent)) from common import ( # noqa: E402 build_laplace_data, load_config, project_path, relative_l2, resolve_device, resolve_dtype, seed_everything, ) from model.bpinn import ( # noqa: E402 build_model, laplace1d_loss_components, weighted_loss, ) DEFAULT_CONFIG = PROJECT_ROOT / "conf" / "config.yaml" def main() -> None: config_path = DEFAULT_CONFIG.resolve() config = load_config(config_path) common = config["common"] device = resolve_device(str(common["device"])) dtype = resolve_dtype(str(common["dtype"])) seed = int(common["seed"]) epochs = int(config["training"]["epochs"]) lbfgs_iters = int(config["training"]["lbfgs_iters"]) learning_rate = float(config["training"]["lr"]) if min(epochs, lbfgs_iters) < 0 or epochs + lbfgs_iters == 0: raise ValueError("at least one non-negative optimizer iteration count must be positive") if learning_rate <= 0: raise ValueError("learning rate must be positive") data_config = dict(config["data"]) weight_dir = project_path(common["weight_dir"], PROJECT_ROOT) result_dir = project_path(common["result_dir"], PROJECT_ROOT) checkpoint_path = weight_dir / config["training"]["checkpoint_name"] history_path = result_dir / config["inference"]["history_name"] seed_everything(seed) print(f"Config: {config_path}") print(f"Device: {device}") print(f"Data config: {data_config}") data = build_laplace_data(data_config, seed, device, dtype) with torch.enable_grad(): test_points = data["x_test"].detach().requires_grad_(True) exact = torch.sin(torch.pi * test_points) first = torch.autograd.grad( exact, test_points, torch.ones_like(exact), create_graph=True )[0] second = torch.autograd.grad( first, test_points, torch.ones_like(first), create_graph=True )[0] max_residual = torch.max( torch.abs(second + torch.pi**2 * torch.sin(torch.pi * test_points)) ).item() if max_residual > 1.0e-8: raise RuntimeError(f"Laplace autograd validation failed: {max_residual:.3e}") print(f"PDE autograd validation: {max_residual:.3e}") model = build_model(config["model"], dtype=dtype).to(device=device, dtype=dtype) parameter_count = sum(parameter.numel() for parameter in model.parameters()) print(f"Parameters: {parameter_count:,}") def loss_value() -> tuple[torch.Tensor, dict[str, torch.Tensor]]: components = laplace1d_loss_components( model, data["x_solution"], data["u_solution"], data["x_boundary"], data["u_boundary"], data["x_pde"], ) return weighted_loss(components, config["loss"]), components def evaluate() -> float: with torch.no_grad(): prediction = model.predict_u(data["x_test"]) return relative_l2(prediction, data["u_test"]) optimizer = torch.optim.Adam(model.parameters(), lr=learning_rate) loss_history = [] l2_history = [] log_interval = int(config["training"]["log_interval"]) best_l2 = evaluate() started = time.time() print( f"Adam epochs={epochs} lr={learning_rate:g}, " f"L-BFGS iterations={lbfgs_iters}" ) for epoch in range(1, epochs + 1): loss, components = loss_value() if not torch.isfinite(loss): raise FloatingPointError(f"BPINN loss became non-finite at epoch {epoch}") optimizer.zero_grad(set_to_none=True) loss.backward() optimizer.step() loss_history.append(loss.item()) if epoch == 1 or epoch % log_interval == 0 or epoch == epochs: error = evaluate() l2_history.append((epoch, error)) best_l2 = min(best_l2, error) print( f"epoch={epoch:6d} loss={loss.item():.3e} " f"data={components['data'].item():.3e} " f"boundary={components['boundary'].item():.3e} " f"pde={components['pde'].item():.3e} l2={error:.3e}" ) if lbfgs_iters > 0: lbfgs = torch.optim.LBFGS( model.parameters(), lr=1.0, max_iter=lbfgs_iters, max_eval=max(1, 2 * lbfgs_iters), history_size=50, line_search_fn="strong_wolfe", ) def closure() -> torch.Tensor: lbfgs.zero_grad(set_to_none=True) closure_loss, _ = loss_value() if not torch.isfinite(closure_loss): raise FloatingPointError("BPINN L-BFGS loss became non-finite") closure_loss.backward() return closure_loss lbfgs.step(closure) error = evaluate() l2_history.append((epochs + lbfgs_iters, error)) best_l2 = min(best_l2, error) print(f"L-BFGS relative L2={error:.6e}") final_l2 = evaluate() elapsed = time.time() - started weight_dir.mkdir(parents=True, exist_ok=True) result_dir.mkdir(parents=True, exist_ok=True) checkpoint = { "case": "laplace1d", "architecture": "bpinn", "model_state": model.state_dict(), "model_config": config["model"], "data_config": data_config, "loss_weights": config["loss"], "seed": seed, "epochs": epochs, "lbfgs_iters": lbfgs_iters, "final_l2": final_l2, } torch.save(checkpoint, checkpoint_path) l2_array = np.asarray(l2_history, dtype=np.float64).reshape(-1, 2) np.savez_compressed( history_path, loss=np.asarray(loss_history, dtype=np.float64), l2_steps=l2_array[:, 0], l2_values=l2_array[:, 1], final_l2=final_l2, best_l2=best_l2, elapsed_seconds=elapsed, parameter_count=parameter_count, ) print(f"Final relative L2={final_l2:.6e}, elapsed={elapsed:.1f}s") print(f"Saved checkpoint: {checkpoint_path}") print(f"Saved history: {history_path}") if __name__ == "__main__": main()