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(gate_loc, matrix, fiber, fiber_vf, y_target, n_restarts=10, epochs=100, use_lbfgs=False, feasibility_samples=0): model = load_model('./model_checkpoint.pth') data = Dataset() mat_type = data.material_map.get(matrix, 0.0) fiber_type = data.fiber_map.get(fiber, 0.0) 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], dtype=torch.float32) bounds = torch.tensor([[1., 100.], [1., 10.], [1., 100.], [1., 100.]], dtype=torch.float32) best = {"loss": float('inf'), "input": None, "output": None} for restart in range(n_restarts): z = torch.randn(4, 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([gate_loc, mat_type, fiber_type, fiber_vf]), var]).unsqueeze(0) input_norm = (input_raw - input_mean) / input_std output_pred = model(input_norm, train=False) 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([gate_loc, mat_type, fiber_type, fiber_vf]), var]) input_norm = (input_raw - input_mean) / input_std output_pred = model.predict(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 if __name__ == "__main__": # set_seed(5324) # train the inverse model over springback data # inverse_model() # perform inverse design import time start_time = time.time() best = inverse_design(gate_loc=1, matrix='PA6', fiber='CF', fiber_vf=0.4, y_target=np.array([0.45, 9.03, 1.87]), n_restarts=5, epochs=100, use_lbfgs=True) end_time = time.time() time_elapsed = (end_time - start_time) print(f"Inverse design completed in {time_elapsed:.2f} seconds.") print("Best Input:", best["input"]) print("Best Output:", best["output"])