GraphRNN/baselines/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.model import GraphVAE
from baselines.graphvae.data import GraphAdjSampler

CUDA = 2

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

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='grid',
                        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 i in range(2,3):
            for j in range(2,3):
                graphs.append(nx.grid_2d_graph(i,j))
        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))])
    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

    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__':
    main()