import torch import numpy as np import matplotlib.pyplot as plt from Dataset import Dataset # DEVICE = torch.device('cuda' if torch.cuda.is_available() else 'cpu') DEVICE = torch.device('cpu') # Set global plotting parameters plt.rcParams.update({'font.size': 14, 'figure.figsize': (10, 8), 'lines.linewidth': 2, 'lines.markersize': 6, 'axes.grid': True, 'axes.labelsize': 16, 'legend.fontsize': 14, 'xtick.labelsize': 14, 'ytick.labelsize': 14, 'figure.autolayout': True }) def set_seed(seed=42): np.random.seed(seed) torch.manual_seed(seed) if torch.cuda.is_available(): torch.cuda.manual_seed_all(seed) class NeuralNetwork(torch.nn.Module): def __init__(self, layer_sizes, dropout_rate=0.0, activation=torch.nn.ReLU): super(NeuralNetwork, self).__init__() if dropout_rate > 0: self.dropout_layer = torch.nn.Dropout(dropout_rate) self.layer_sizes = layer_sizes self.layers = torch.nn.ModuleList() for i in range(len(layer_sizes) - 2): self.layers.append(torch.nn.Linear(layer_sizes[i], layer_sizes[i + 1])) self.layers.append(activation()) self.layers.append(torch.nn.Linear(layer_sizes[-2], layer_sizes[-1])) # self.sequential = torch.nn.Sequential(*self.layers) self.init_weights() def init_weights(self): for layer in self.layers: if isinstance(layer, torch.nn.Linear): torch.nn.init.xavier_normal_(layer.weight) layer.bias.data.fill_(0.0) def forward(self, x, train=True): for layer in self.layers: x = layer(x) if train and hasattr(self, 'dropout_layer'): x = self.dropout_layer(x) return x def predict(self, x, train=False): self.eval() with torch.no_grad(): return self.forward(x, train) def train_neural_network(model, inputs, outputs, optimizer, epochs=1000, lr_scheduler=None): model.train() for epoch in range(epochs): optimizer.zero_grad() predictions = model(inputs) loss = torch.mean(torch.square(predictions - outputs)) loss.backward() optimizer.step() if lr_scheduler: lr_scheduler.step() if epoch % 100 == 0: print(f'Epoch {epoch}, Loss: {loss.item()}, Learning Rate: {optimizer.param_groups[0]["lr"]}') def load_model(model_path): checkpoint = torch.load(model_path, map_location=DEVICE) model_config = checkpoint['model_config'] model = NeuralNetwork(model_config['layer_sizes'], dropout_rate=model_config['dropout_rate']) model.load_state_dict(checkpoint['model_state_dict']) print(f"Model loaded from {model_path}") model.to(DEVICE) model.eval() return model def inverse_design(ply_number, y_target, n_restarts=20, epochs=1000, use_lbfgs=False): model = load_model('./model_checkpoint.pth') data = Dataset() y_target_norm = data.normalize_output(y_target) # (A1, B1, C1, Stress) y_target_tensor = torch.tensor(y_target, dtype=torch.float32) input_mean = torch.tensor(data.input_mean) input_std = torch.tensor(data.input_std) output_mean = torch.tensor(data.output_mean) output_std = torch.tensor(data.output_std) weights = torch.tensor([1.0, 1.0, 1.0, 0.0], dtype=torch.float32) bounds = torch.tensor([[1., 1000.], [1., 1000.], [1., 1000.]], dtype=torch.float32) # Initial_Temp, Punch_Velocity, Cooling_Time best = {"loss": float('inf'), "input": None, "output": None} for restart in range(n_restarts): z = torch.randn(3, requires_grad=True) if use_lbfgs: optimizer = torch.optim.LBFGS([z], lr=0.1, max_iter=epochs, line_search_fn="strong_wolfe") steps = 1 else: optimizer = torch.optim.Adam([z], lr=0.001) steps = epochs for step in range(steps): def closure(): var = bounds[:, 0] + (bounds[:, 1] - bounds[:, 0]) * torch.sigmoid(z) optimizer.zero_grad() input_raw = torch.cat([torch.tensor([ply_number]), var]).unsqueeze(0) input_norm = (input_raw - input_mean) / input_std output_pred = model(input_norm) output_pred = (output_pred * output_std) + output_mean loss = torch.sum(weights * (output_pred - y_target_tensor) ** 2) loss.backward() return loss if use_lbfgs: loss = optimizer.step(closure) else: loss = closure() optimizer.step() if (step + 1) % 200 == 0: print(f'Restart {restart + 1}, Step {step + 1}, Loss: {loss.item():.6f}, grad: {z.grad.norm().item():.6f}') with torch.no_grad(): var = bounds[:, 0] + (bounds[:, 1] - bounds[:, 0]) * torch.sigmoid(z) input_raw = torch.cat([torch.tensor([ply_number]), var]) input_norm = (input_raw - input_mean) / input_std output_pred = model(input_norm) output_pred = data.denormalize_output(output_pred.numpy()) final_loss = np.sum(weights.numpy() * (output_pred - y_target) ** 2).item() if final_loss < best["loss"]: best["loss"] = final_loss best["input"] = var.detach().cpu().numpy() best["output"] = output_pred return best def inverse_model(): set_seed(5324) dataset = Dataset(inverse=True) inputs, outputs = dataset.get_input(normalize=True), dataset.get_output(normalize=True) idx_train = np.random.choice(len(inputs), size=int(0.85 * len(inputs)), replace=False) idx_test = np.setdiff1d(np.arange(len(inputs)), idx_train) # idx_test = np.array([1, 14+1, 18+1, 20+1, 23+1]) # idx_train = np.setdiff1d(np.arange(len(inputs)), idx_test) inputs_train = torch.tensor(inputs[idx_train], dtype=torch.float32).to(DEVICE) outputs_train = torch.tensor(outputs[idx_train], dtype=torch.float32).to(DEVICE) inputs_test = torch.tensor(inputs[idx_test], dtype=torch.float32).to(DEVICE) outputs_test = torch.tensor(outputs[idx_test], dtype=torch.float32).to(DEVICE) layer_sizes = [inputs.shape[1]] + [64] * 3 + [outputs.shape[1]] model = NeuralNetwork(layer_sizes, dropout_rate=0.05, activation=torch.nn.ReLU).to(DEVICE) optimizer = torch.optim.Adam(model.parameters(), lr=0.001) lr_scheduler = torch.optim.lr_scheduler.StepLR(optimizer, step_size=5000, gamma=0.9) # Create a proper dataset that keeps input-output pairs together train_dataset = torch.utils.data.TensorDataset(inputs_train, outputs_train) train_loader = torch.utils.data.DataLoader(train_dataset, batch_size=16, shuffle=True) # Train the model epochs = 20000 for epoch in range(epochs): model.train() for inputs_batch, outputs_batch in train_loader: inputs_batch = inputs_batch.to(DEVICE) outputs_batch = outputs_batch.to(DEVICE) optimizer.zero_grad() predictions = model(inputs_batch) loss = torch.mean(torch.square(predictions - outputs_batch)) loss.backward() optimizer.step() if lr_scheduler: lr_scheduler.step() if epoch % 500 == 0: train_pred = model(inputs_train) train_loss = torch.mean(torch.square(train_pred - outputs_train)) test_pred = model(inputs_test) test_loss = torch.mean(torch.square(test_pred - outputs_test)) print(f'Epoch {epoch}, Train Loss: {train_loss.item():.6f}, Test Loss: {test_loss.item():.6f}') # print(f'Learning Rate: {optimizer.param_groups[0]["lr"]}') predictions = model.predict(inputs_test) test_loss = torch.mean(torch.square(predictions - outputs_test)) print(f'Test Loss: {test_loss.item()}. Samples: {idx_test}') x = np.arange(0, len(idx_test)) outputs_test = dataset.denormalize_output(outputs_test.cpu().numpy()) predictions = dataset.denormalize_output(predictions.cpu().numpy()) # for sample in outputs_test: # print(f'Test samples: {sample}') plt.figure(figsize=(10, 6)) plt.plot(x, outputs_test[:, 0], color='b', linestyle='--', label='True Initial Temp') plt.plot(x, predictions[:, 0], color='b', linestyle='-', label='Predicted Initial Temp') plt.plot(x, outputs_test[:, 1], color='r', linestyle='--', label='True Punch Velocity') plt.plot(x, predictions[:, 1], color='r', linestyle='-', label='Predicted Punch Velocity') plt.plot(x, outputs_test[:, 2], color='g', linestyle='--', label='True Cooling Time') plt.plot(x, predictions[:, 2], color='g', linestyle='-', label='Predicted Cooling Time') plt.gca().xaxis.set_major_locator(plt.MaxNLocator(integer=True)) plt.xlabel('Sample Index') plt.xticks(ticks=range(len(idx_test)),labels=idx_test + 1) plt.ylabel('Processing Parameters') plt.legend(loc='upper right') plt.savefig('inverse_design.png') # MSE mse = np.mean((predictions - outputs_test) ** 2, axis=0) print(f'Mean Squared Error for Initial Temp: {mse[0]:.6f}, Punch Velocity: {mse[1]:.6f}, Cooling Time: {mse[2]:.6f}') # R 2 score ss_ress = np.sum((outputs_test - predictions) ** 2, axis=0) ss_tots = np.sum((outputs_test - np.mean(outputs_test, axis=0)) ** 2, axis=0) r2_scores = 1 - ss_ress / ss_tots print(f'R² Score for Initial Temp: {r2_scores[0]:.6f}, Punch Velocity: {r2_scores[1]:.6f}, Cooling Time: {r2_scores[2]:.6f}') # Error # Save the model model_save_path = './model_inverse_ckpt.pth' model_config = {'layer_sizes': layer_sizes, 'dropout_rate': 0.05 } checkpoint = { 'model_state_dict': model.state_dict(), 'model_config': model_config } torch.save(checkpoint, model_save_path) if __name__ == "__main__": # train the inverse model over springback data # inverse_model() # perform inverse design import time start_time = time.time() best = inverse_design(ply_number=2, y_target=np.array([0.89, 0.83, 0.12, 180.2]), n_restarts=5, epochs=100, use_lbfgs=True) end_time = time.time() time_elapsed = (end_time - start_time) # in milliseconds print(f"Inverse design completed in {time_elapsed:.2f} seconds.") print("Best Input (Initial Temp, Punch Velocity, Cooling Time):", best["input"]) print("Best Output (A1, B1, C1, Stress):", best["output"])