GraphRNN2/main_baselines/graphvae/graphvae_train.py

import argparse
import matplotlib.pyplot as plt
import networkx as nx
import numpy as np
import os
from random import shuffle
import torch
import torch.nn as nn
import torch.nn.init as init
from torch.autograd import Variable
import torch.nn.functional as F
from torch import optim
from torch.optim.lr_scheduler import MultiStepLR

import data
from baselines.graphvae.util import load_data
from main_baselines.graphvae.graphvae_model import GraphVAE
from main_baselines.graphvae.graphvae_data import GraphAdjSampler
from baselines.graphvae.graphvae_train import graph_statistics

CUDA = 0

LR_milestones = [500, 1000]


def build_model(args, max_num_nodes):
    out_dim = max_num_nodes * (max_num_nodes + 1) // 2
    if args.feature_type == 'id':
        input_dim = max_num_nodes
    elif args.feature_type == 'deg':
        input_dim = 1
    elif args.feature_type == 'struct':
        input_dim = 2
    model = GraphVAE(input_dim, 64, 256, max_num_nodes)
    return model


def train(args, dataloader, model):
    epoch = 1
    optimizer = optim.Adam(list(model.parameters()), lr=args.lr)
    scheduler = MultiStepLR(optimizer, milestones=LR_milestones, gamma=args.lr)

    model.train()
    for epoch in range(5000):
        for batch_idx, data in enumerate(dataloader):
            model.zero_grad()
            features = data['features'].float()
            adj_input = data['adj'].float()

            features = Variable(features).cuda()
            adj_input = Variable(adj_input).cuda()

            loss = model(features, adj_input)
            print('Epoch: ', epoch, ', Iter: ', batch_idx, ', Loss: ', loss)
            loss.backward()

            optimizer.step()
            scheduler.step()
            # break
        if epoch % 2 == 0:
            fname = model_save_path + "GraphVAE" + str(epoch) + '.dat'
            torch.save(model.state_dict(), fname)


def arg_parse():
    parser = argparse.ArgumentParser(description='GraphVAE arguments.')
    io_parser = parser.add_mutually_exclusive_group(required=False)
    io_parser.add_argument('--dataset', dest='dataset',
                           help='Input dataset.')

    parser.add_argument('--lr', dest='lr', type=float,
                        help='Learning rate.')
    parser.add_argument('--batch_size', dest='batch_size', type=int,
                        help='Batch size.')
    parser.add_argument('--num_workers', dest='num_workers', type=int,
                        help='Number of workers to load data.')
    parser.add_argument('--max_num_nodes', dest='max_num_nodes', type=int,
                        help='Predefined maximum number of nodes in train/test graphs. -1 if determined by \
                  training data.')
    parser.add_argument('--feature', dest='feature_type',
                        help='Feature used for encoder. Can be: id, deg')

    parser.set_defaults(dataset='IMDBBINARY',
                        feature_type='id',
                        lr=0.001,
                        batch_size=1,
                        num_workers=1,
                        max_num_nodes=-1)
    return parser.parse_args()


def main():
    prog_args = arg_parse()

    os.environ['CUDA_VISIBLE_DEVICES'] = str(CUDA)
    print('CUDA', CUDA)
    ### running log

    if prog_args.dataset == 'enzymes':
        graphs = data.Graph_load_batch(min_num_nodes=10, name='ENZYMES')
        num_graphs_raw = len(graphs)
    elif prog_args.dataset == 'grid':
        graphs = []
        for z in range(1):
            for i in range(2, 4):
                for j in range(2, 4):
                    graphs.append(nx.grid_2d_graph(i, j))
        num_graphs_raw = len(graphs)
    else:
        graphs, num_classes = load_data(prog_args.dataset, True)
        num_graphs_raw = len(graphs)

    if prog_args.max_num_nodes == -1:
        max_num_nodes = max([graphs[i].number_of_nodes() for i in range(len(graphs))])

        small_graphs_size = 0
        if prog_args.dataset != 'grid_small' and prog_args.dataset != 'grid':
            small_graphs = []
            for i in range(len(graphs)):
                if graphs[i].number_of_nodes() < 13:
                    # if graphs[i].number_of_nodes() == 8 or graphs[i].number_of_nodes() == 16 or graphs[
                    #     i].number_of_nodes() == 32 or \
                    #         graphs[i].number_of_nodes() == 64 or graphs[i].number_of_nodes() == 128 or graphs[
                    #     i].number_of_nodes() == 256:
                    small_graphs_size += 1
                    small_graphs.append(graphs[i])
            graphs = small_graphs
        print(len(graphs))
        max_num_nodes = max([graphs[i].number_of_nodes() for i in range(len(graphs))])
        graph_statistics(graphs)
    else:
        max_num_nodes = prog_args.max_num_nodes
        # remove graphs with number of nodes greater than max_num_nodes
        graphs = [g for g in graphs if g.number_of_nodes() <= max_num_nodes]

    graphs_len = len(graphs)
    print('Number of graphs removed due to upper-limit of number of nodes: ',
          num_graphs_raw - graphs_len)
    graphs_test = graphs[int(0.8 * graphs_len):]

    # graphs_train = graphs[0:int(0.8*graphs_len)]
    # graphs_train = graphs
    graphs_train = graphs[0:int(0.8 * graphs_len)]

    print('total graph num: {}, training set: {}'.format(len(graphs), len(graphs_train)))
    print('max number node: {}'.format(max_num_nodes))

    dataset = GraphAdjSampler(graphs_train, max_num_nodes, features=prog_args.feature_type)
    # sample_strategy = torch.utils.data.sampler.WeightedRandomSampler(
    #        [1.0 / len(dataset) for i in range(len(dataset))],
    #        num_samples=prog_args.batch_size, 
    #        replacement=False)
    dataset_loader = torch.utils.data.DataLoader(
        dataset,
        batch_size=prog_args.batch_size,
        num_workers=prog_args.num_workers)
    model = build_model(prog_args, max_num_nodes).cuda()
    train(prog_args, dataset_loader, model)


if __name__ == '__main__':
    model_save_path = './model_save/'
    if not os.path.isdir(model_save_path):
        os.makedirs(model_save_path)
    main()