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-1.05000000000001, -0.05000000000001, -0.05000000000001, -0.05000000000001, -0.05000000000001, 0.94999999999999, 0.94999999999999, 0.94999999999999, 0.94999999999999, 1.94999999999999, 1.94999999999999, 1.94999999999999, 1.94999999999999, -0.00641999548344, -0.00274844644063, -0.00077717029513, 0.00041721628815, -0.00083078564178, -0.00024512564830, -0.00111716080056, -0.00183824934286, -0.00178311139024, -0.00298240297019, -0.00494888407195, -0.00621007128226, -0.00594848324406, -0.00762672563088, -0.00934753179718, -0.01037961816781, 0.00000000000000, 0.18945818516837 diff --git a/examples/PBDL/ibm.py b/examples/PBDL/ibm.py new file mode 100644 index 000000000..bcf41baa3 --- /dev/null +++ b/examples/PBDL/ibm.py @@ -0,0 +1,286 @@ +# Copyright (c) 2023 PaddlePaddle Authors. All Rights Reserved. + +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at + +# http://www.apache.org/licenses/LICENSE-2.0 + +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import os + +import matplotlib +import matplotlib.pyplot as plt +import numpy as np +import paddle +import pandas as pd + +import ppsci +from ppsci.utils import logger + +paddle.set_default_dtype(d="float32") +matplotlib.use("Agg") +device = str("cuda:0" if paddle.device.cuda.device_count() >= 1 else "cpu").replace( + "cuda", "gpu" +) + + +class MyDataset(paddle.io.Dataset): + def __init__(self, csv_file): + data_pd = pd.read_csv(csv_file, encoding="gbk", header=None) + self.data = np.array(data_pd) + for i in range(tuple(self.data.shape)[-1]): + data_min = np.min(self.data[:, (i)]) + data_max = np.max(self.data[:, (i)]) + if data_max != data_min: + self.data[:, (i)] = (self.data[:, (i)] - data_min) / ( + data_max - data_min + ) * 2 - 1 + self.scaled_x1 = self.data[:, :48].copy() + self.scaled_x2 = self.data[:, (48)].copy() + self.scaled_y = self.data[:, (49)].copy() + self.x1 = paddle.to_tensor(data=self.scaled_x1, dtype="float32") + self.x2 = paddle.to_tensor(data=self.scaled_x2, dtype="float32").unsqueeze( + axis=1 + ) + self.y = paddle.to_tensor(data=self.scaled_y, dtype="float32").unsqueeze(axis=1) + + def __len__(self): + return len(self.data) + + def __getitem__(self, idx): + return self.x1[idx], self.x2[idx], self.y[idx] + + +def main(OUTPUT_DIR): + + csv_file = "forceInfo.csv" + dataset = MyDataset(csv_file) + train_size = int(0.8 * len(dataset)) + test_size = len(dataset) - train_size + train_dataset, test_dataset = paddle.io.random_split( + dataset=dataset, lengths=[train_size, test_size] + ) + train_loader = paddle.io.DataLoader( + dataset=train_dataset, batch_size=train_size, shuffle=False + ) + test_loader = paddle.io.DataLoader( + dataset=test_dataset, batch_size=test_size, shuffle=False + ) + + class X1Net(paddle.nn.Layer): + def __init__(self): + super(X1Net, self).__init__() + self.N = 512 + self.fc1 = paddle.nn.Linear(in_features=48, out_features=self.N) + self.fc2 = paddle.nn.Linear(in_features=self.N, out_features=self.N) + self.fc3 = paddle.nn.Linear(in_features=self.N, out_features=self.N) + self.fc4 = paddle.nn.Linear(in_features=self.N, out_features=1) + self.gelu = paddle.nn.GELU() + + def forward(self, x): + x = self.gelu(self.fc1(x)) + x = self.gelu(self.fc2(x)) + x = self.gelu(self.fc3(x)) + x = self.fc4(x) + return x + + class CombinedNet(paddle.nn.Layer): + def __init__(self): + super(CombinedNet, self).__init__() + self.x1_net = X1Net() + self.fc_combined = paddle.nn.Linear( + in_features=1, out_features=1, bias_attr=False + ) + + def forward(self, x1, x2): + x1_out = self.x1_net(x1) + diff = x1_out - x2 + output = self.fc_combined(diff) + return output + + class CombinedNet1(paddle.nn.Layer): + def __init__(self): + super(CombinedNet1, self).__init__() + self.x1_net = X1Net() + self.fc1 = paddle.nn.Linear(in_features=2, out_features=64, bias_attr=False) + self.fc2 = paddle.nn.Linear(in_features=64, out_features=1, bias_attr=False) + + def forward(self, x1, x2): + x1_out = self.x1_net(x1) + combined = paddle.concat(x=(x1_out, x2), axis=1) + x = paddle.nn.functional.relu(x=self.fc1(combined)) + output = self.fc2(x) + return output + + model = CombinedNet().to(device) + criterion = paddle.nn.MSELoss() + optimizer = paddle.optimizer.Adam( + parameters=model.parameters(), learning_rate=2e-06, weight_decay=0.0 + ) + checkpoint_path = os.path.join(OUTPUT_DIR, "checkpoint.pdparams") + + def load_checkpoint(filepath, model, optimizer): + if os.path.isfile(filepath): + print(f"Loading checkpoint '{filepath}'") + checkpoint = paddle.load(path=str(filepath)) + model.set_state_dict(state_dict=checkpoint["model_state_dict"]) + optimizer.set_state_dict(state_dict=checkpoint["optimizer_state_dict"]) + epoch = checkpoint["epoch"] + loss = checkpoint["loss"] + print(f"Checkpoint loaded. Last epoch: {epoch}, Loss: {loss}") + return epoch, loss + else: + print(f"No checkpoint found at '{filepath}'") + return 0, float("inf") + + def save_checkpoint(filepath, model, optimizer, epoch, loss, best_val_loss): + if loss < best_val_loss: + print(f"Saving checkpoint at epoch {epoch} with improved loss: {loss}") + paddle.save( + obj={ + "epoch": epoch, + "model_state_dict": model.state_dict(), + "optimizer_state_dict": optimizer.state_dict(), + "loss": loss, + }, + path=filepath, + ) + else: + print(f"Checkpoint not saved at epoch {epoch}, loss did not improve.") + + resume_training = True + if resume_training: + start_epoch, _ = load_checkpoint(checkpoint_path, model, optimizer) + print("Resuming training from checkpoint...") + else: + start_epoch, _ = 0, float("inf") + print("Starting training from scratch...") + for i, (x1_batch, x2_batch, y_batch) in enumerate(train_loader): + x1_batch, x2_batch, y_batch = ( + x1_batch.to(device), + x2_batch.to(device), + y_batch.to(device), + ) + break + for i, (x1_test, x2_test, y_test) in enumerate(test_loader): + x1_test, x2_test, y_test = ( + x1_test.to(device), + x2_test.to(device), + y_test.to(device), + ) + break + train_losses = [] + + def train( + model, + train_loader, + criterion, + optimizer, + num_epochs=100, + checkpoint_interval=1000, + ): + model.train() + best_val_loss = float("inf") + for epoch in range(start_epoch, num_epochs): + running_loss = 0.0 + outputs = model(x1_batch, x2_batch) + loss = 1000000.0 * criterion(outputs, y_batch) + running_loss += loss.item() * x1_batch.shape[0] + optimizer.clear_gradients(set_to_zero=False) + loss.backward() + optimizer.step() + if (epoch + 1) % checkpoint_interval == 0: + if loss.item() < best_val_loss: + save_checkpoint( + checkpoint_path, + model, + optimizer, + epoch + 1, + loss.item(), + best_val_loss, + ) + best_val_loss = loss.item() + print(f"Model checkpoint saved at epoch {epoch + 1}, batch {i + 1}") + else: + print( + f"Checkpoint not saved at epoch {epoch + 1}, loss did not improve." + ) + epoch_loss = running_loss / len(train_loader.dataset) + train_losses.append(epoch_loss) + if epoch % 1000 == 0: + with open(os.path.join(OUTPUT_DIR, "loss.dat"), "a") as file0: + print(f"{epoch + 1}, {np.log10(epoch_loss):.15f}", file=file0) + with paddle.no_grad(): + prediction = outputs.detach().cpu().numpy() + target = y_batch.detach().cpu().numpy() + L2_error_training = np.sqrt( + np.linalg.norm(prediction - target) / np.linalg.norm(target) + ) + with open(os.path.join(OUTPUT_DIR, "TrainingLoss_L2.dat"), "a") as file1: + print(f"{epoch + 1}, {L2_error_training:.15f}", file=file1) + with paddle.no_grad(): + test_prediction = model(x1_test, x2_test) + test_prediction = test_prediction.detach().cpu().numpy() + test_target = y_test.detach().cpu().numpy() + L2_error_testing = np.sqrt( + np.linalg.norm(test_prediction - test_target) + / np.linalg.norm(test_target) + ) + with open(os.path.join(OUTPUT_DIR, "TestingLoss_L2.dat"), "a") as file2: + print(f"{epoch + 1}, {L2_error_testing:.15f}", file=file2) + print(epoch, epoch_loss, L2_error_training, L2_error_testing) + if epoch % 10000 == 0: + plt.figure(figsize=(10, 5)) + plt.plot( + range(1, len(train_losses) + 1), + train_losses, + marker="o", + linestyle="-", + label="Training Loss", + ) + plt.xlabel("Epoch") + plt.ylabel("Loss (log scale)") + plt.yscale("log") + plt.title("Training and Validation Loss Over Epochs") + plt.legend() + plt.grid(True) + plt.savefig( + f"{OUTPUT_DIR}/training_and_validation_loss_plot_epoch_{epoch+1}.png" + ) + plt.close() + + plt.figure(figsize=(10, 5)) + plt.plot(target, prediction, marker=".", linestyle=None) + plt.plot(test_target, test_prediction, marker=".", linestyle=None) + plt.savefig(f"{OUTPUT_DIR}/predicted_Y_epoch_{epoch+1}.png") + plt.close() + + train( + model, + train_loader, + criterion, + optimizer, + num_epochs=5000000, + checkpoint_interval=1000, + ) + model_path = os.path.join(OUTPUT_DIR, "trained_model.pdparams") + paddle.save(obj=model.state_dict(), path=model_path) + print(f"Model saved to {model_path}") + + +if __name__ == "__main__": + # set random seed for reproducibility + ppsci.utils.misc.set_random_seed(42) + # set output directory + OUTPUT_DIR = "./output" + # initialize logger + logger.init_logger("ppsci", f"{OUTPUT_DIR}/train.log", "info") + # run model + main(OUTPUT_DIR) + pass diff --git a/examples/PBDL/output/checkpoint.pth b/examples/PBDL/output/checkpoint.pth new file mode 100755 index 000000000..aae59045d Binary files /dev/null and b/examples/PBDL/output/checkpoint.pth differ diff --git a/examples/PBDL/output/trained_model.pth b/examples/PBDL/output/trained_model.pth new file mode 100755 index 000000000..41ae38b16 Binary files /dev/null and b/examples/PBDL/output/trained_model.pth differ