import os.path as osp import sys import time import torch from torch.nn import Linear import torch.nn.functional as F from torch_geometric.datasets import Planetoid import torch_geometric.transforms as T from torch_geometric.nn import GCN2Conv from torch_geometric.nn.conv.gcn_conv import gcn_norm import numpy as np train_pred = [] train_act = [] test_pred = [] test_act = [] fold = int(sys.argv[1]) st = time.process_time() dataset = 'Cora' path = osp.join(osp.dirname(osp.realpath(__file__)), '..', 'data', dataset) transform = T.Compose([T.NormalizeFeatures(), T.ToSparseTensor()]) dataset = Planetoid(path, dataset, transform=transform) data = dataset[0] data.adj_t = gcn_norm(data.adj_t) # Pre-process GCN normalization. ims = [] class Net(torch.nn.Module): def __init__(self, hidden_channels, num_layers, alpha, theta, shared_weights=True, dropout=0.0): super(Net, self).__init__() self.lins = torch.nn.ModuleList() self.lins.append(Linear(dataset.num_features, hidden_channels)) self.lins.append(Linear(hidden_channels, dataset.num_classes)) self.convs = torch.nn.ModuleList() for layer in range(num_layers): self.convs.append( GCN2Conv(hidden_channels, alpha, theta, layer + 1, shared_weights, normalize=False)) self.dropout = dropout self.A = torch.nn.Parameter(torch.tensor(1.1, requires_grad=True)) self.B = torch.nn.Parameter(torch.tensor(-0.01, requires_grad=True)) self.C = torch.nn.Parameter(torch.tensor(1e-9, requires_grad=True)) self.D = torch.nn.Parameter(torch.tensor(-0.9, requires_grad=True)) self.E = torch.nn.Parameter(torch.tensor(0.00001, requires_grad=True)) def UAF(self, input): ims.append(np.array([self.A.cpu().detach().item(),self.B.cpu().detach().item(),self.C.cpu().detach().item(),self.D.cpu().detach().item(),self.E.cpu().detach().item()])) P1 = (self.A*(input+self.B)) + torch.clamp((self.C * torch.square(input)),-100.0,100.0) P2 = (self.D*(input-self.B)) P3 = torch.nn.ReLU()(P1) + torch.log1p(torch.exp(-torch.abs(P1))) P4 = torch.nn.ReLU()(P2) + torch.log1p(torch.exp(-torch.abs(P2))) return P3 - P4 + self.E def forward(self, x, adj_t): x = F.dropout(x, self.dropout, training=self.training) x = x_0 = self.UAF(self.lins[0](x)) for conv in self.convs: x = F.dropout(x, self.dropout, training=self.training) x = conv(x, x_0, adj_t) x = self.UAF(x) x = F.dropout(x, self.dropout, training=self.training) x = self.lins[1](x) return x.log_softmax(dim=-1) device = torch.device('cuda' if torch.cuda.is_available() else 'cpu') model = Net(hidden_channels=64, num_layers=64, alpha=0.1, theta=0.5, shared_weights=True, dropout=0.6).to(device) data = data.to(device) optimizer = torch.optim.Adam([ dict(params=model.convs.parameters(), weight_decay=0.01), dict(params=model.lins.parameters(), weight_decay=5e-4) ], lr=0.01) scheduler = torch.optim.lr_scheduler.ReduceLROnPlateau(optimizer, mode='min', factor=0.7, patience=50, min_lr=0.00001) optimizer2 = torch.optim.Adam([ dict(params=model.A), dict(params=model.B), dict(params=model.C, weight_decay=1e5), dict(params=model.D), dict(params=model.E) ], lr=0.005) scheduler2 = torch.optim.lr_scheduler.StepLR(optimizer2, step_size=240, gamma=1e-10) def train(): model.train() optimizer2.zero_grad() optimizer.zero_grad() out = model(data.x, data.adj_t) loss = F.nll_loss(out[data.train_mask], data.y[data.train_mask]) train_pred_temp = out[data.train_mask].cpu().detach().numpy() train_act_temp = data.y[data.train_mask].cpu().detach().numpy() train_pred.append(train_pred_temp) train_act.append(train_act_temp) loss.backward() optimizer.step() optimizer2.step() return float(loss) @torch.no_grad() def test(): model.eval() pred, accs = model(data.x, data.adj_t).argmax(dim=-1), [] test_pred_temp = pred[data.test_mask].cpu().detach().numpy() test_act_temp = data.y[data.test_mask].cpu().detach().numpy() test_pred.append(test_pred_temp) test_act.append(test_act_temp) for _, mask in data('train_mask', 'val_mask', 'test_mask'): accs.append(int((pred[mask] == data.y[mask]).sum()) / int(mask.sum())) return accs best_val_acc = test_acc = 0 for epoch in range(1, 1001): loss = train() train_acc, val_acc, tmp_test_acc = test() if val_acc > best_val_acc: best_val_acc = val_acc test_acc = tmp_test_acc lr = scheduler.optimizer.param_groups[0]['lr'] if (epoch == 241): scheduler.optimizer.param_groups[0]['lr'] = 0.05 scheduler.step(-val_acc) scheduler2.step() print(f'Epoch: {epoch:04d}, Loss: {loss:.4f} Train: {train_acc:.4f}, ' f'lr: {lr:.7f}, Test: {tmp_test_acc:.4f}, ' f'Final Test: {test_acc:.4f}') elapsed_time = time.process_time() - st np.save("time_" + str(fold), np.array([elapsed_time])) np.save("train_pred_" + str(fold), train_pred) np.save("train_act_" + str(fold), train_act) np.save("test_pred_" + str(fold), test_pred) np.save("test_act_" + str(fold), test_act) ims = np.asarray(ims) np.save("ims_" + str(fold),ims)