deeprobust/graph/defense/chebnet.py

"""
Extended from https://github.com/rusty1s/pytorch_geometric/tree/master/benchmark/citation
"""
import torch.nn as nn
import torch.nn.functional as F
import math
import torch
import torch.optim as optim
from torch.nn.parameter import Parameter
from torch.nn.modules.module import Module
from deeprobust.graph import utils
from copy import deepcopy
from torch_geometric.nn import ChebConv

class ChebNet(nn.Module):
    """ 2 Layer ChebNet based on pytorch geometric.

    Parameters
    ----------
    nfeat : int
        size of input feature dimension
    nhid : int
        number of hidden units
    nclass : int
        size of output dimension
    num_hops: int
        number of hops in ChebConv
    dropout : float
        dropout rate for ChebNet
    lr : float
        learning rate for ChebNet
    weight_decay : float
        weight decay coefficient (l2 normalization) for GCN.
        When `with_relu` is True, `weight_decay` will be set to 0.
    with_bias: bool
        whether to include bias term in ChebNet weights.
    device: str
        'cpu' or 'cuda'.

    Examples
    --------
	We can first load dataset and then train ChebNet.

    >>> from deeprobust.graph.data import Dataset
    >>> from deeprobust.graph.defense import ChebNet
    >>> data = Dataset(root='/tmp/', name='cora')
    >>> adj, features, labels = data.adj, data.features, data.labels
    >>> idx_train, idx_val, idx_test = data.idx_train, data.idx_val, data.idx_test
    >>> cheby = ChebNet(nfeat=features.shape[1],
              nhid=16, num_hops=3,
              nclass=labels.max().item() + 1,
              dropout=0.5, device='cpu')
    >>> cheby = cheby.to('cpu')
    >>> pyg_data = Dpr2Pyg(data) # convert deeprobust dataset to pyg dataset
    >>> cheby.fit(pyg_data, patience=10, verbose=True) # train with earlystopping
    """

    def __init__(self, nfeat, nhid, nclass, num_hops=3, dropout=0.5, lr=0.01,
            weight_decay=5e-4, with_bias=True, device=None):

        super(ChebNet, self).__init__()

        assert device is not None, "Please specify 'device'!"
        self.device = device

        self.conv1 = ChebConv(
            nfeat,
            nhid,
            K=num_hops,
            bias=with_bias)

        self.conv2 = ChebConv(
            nhid,
            nclass,
            K=num_hops,
            bias=with_bias)

        self.dropout = dropout
        self.weight_decay = weight_decay
        self.lr = lr
        self.output = None
        self.best_model = None
        self.best_output = None

    def forward(self, data):
        x, edge_index = data.x, data.edge_index
        x = F.relu(self.conv1(x, edge_index))
        x = F.dropout(x, p=self.dropout, training=self.training)
        x = self.conv2(x, edge_index)
        return F.log_softmax(x, dim=1)

    def initialize(self):
        """Initialize parameters of ChebNet.
        """
        self.conv1.reset_parameters()
        self.conv2.reset_parameters()

    def fit(self, pyg_data, train_iters=200, initialize=True, verbose=False, patience=500, **kwargs):
        """Train the ChebNet model, when idx_val is not None, pick the best model
        according to the validation loss.

        Parameters
        ----------
        pyg_data :
            pytorch geometric dataset object
        train_iters : int
            number of training epochs
        initialize : bool
            whether to initialize parameters before training
        verbose : bool
            whether to show verbose logs
        patience : int
            patience for early stopping, only valid when `idx_val` is given
        """

        self.device = self.conv1.weight.device
        if initialize:
            self.initialize()

        self.data = pyg_data[0].to(self.device)
        # By default, it is trained with early stopping on validation
        self.train_with_early_stopping(train_iters, patience, verbose)

    def train_with_early_stopping(self, train_iters, patience, verbose):
        """early stopping based on the validation loss
        """
        if verbose:
            print('=== training ChebNet model ===')
        optimizer = optim.Adam(self.parameters(), lr=self.lr, weight_decay=self.weight_decay)

        labels = self.data.y
        train_mask, val_mask = self.data.train_mask, self.data.val_mask

        early_stopping = patience
        best_loss_val = 100

        for i in range(train_iters):
            self.train()
            optimizer.zero_grad()
            output = self.forward(self.data)

            loss_train = F.nll_loss(output[train_mask], labels[train_mask])
            loss_train.backward()
            optimizer.step()

            if verbose and i % 10 == 0:
                print('Epoch {}, training loss: {}'.format(i, loss_train.item()))

            self.eval()
            output = self.forward(self.data)
            loss_val = F.nll_loss(output[val_mask], labels[val_mask])

            if best_loss_val > loss_val:
                best_loss_val = loss_val
                self.output = output
                weights = deepcopy(self.state_dict())
                patience = early_stopping
            else:
                patience -= 1
            if i > early_stopping and patience <= 0:
                break

        if verbose:
             print('=== early stopping at {0}, loss_val = {1} ==='.format(i, best_loss_val) )
        self.load_state_dict(weights)

    def test(self):
        """Evaluate ChebNet performance on test set.

        Parameters
        ----------
        idx_test :
            node testing indices
        """
        self.eval()
        test_mask = self.data.test_mask
        labels = self.data.y
        output = self.forward(self.data)
        # output = self.output
        loss_test = F.nll_loss(output[test_mask], labels[test_mask])
        acc_test = utils.accuracy(output[test_mask], labels[test_mask])
        print("Test set results:",
              "loss= {:.4f}".format(loss_test.item()),
              "accuracy= {:.4f}".format(acc_test.item()))
        return acc_test.item()

    def predict(self):
        """
        Returns
        -------
        torch.FloatTensor
            output (log probabilities) of ChebNet
        """

        self.eval()
        return self.forward(self.data)



if __name__ == "__main__":
    from deeprobust.graph.data import Dataset, Dpr2Pyg
    # from deeprobust.graph.defense import ChebNet
    data = Dataset(root='/tmp/', name='cora')
    adj, features, labels = data.adj, data.features, data.labels
    idx_train, idx_val, idx_test = data.idx_train, data.idx_val, data.idx_test
    cheby = ChebNet(nfeat=features.shape[1],
          nhid=16,
          nclass=labels.max().item() + 1,
          dropout=0.5, device='cpu')
    cheby = cheby.to('cpu')
    pyg_data = Dpr2Pyg(data)
    cheby.fit(pyg_data, verbose=True) # train with earlystopping
    cheby.test()
    print(cheby.predict())