nodepred-ns.jinja-py

import numpy as np
import torch
import torch.nn as nn
import torch.nn.functional as F
import dgl
from dgl.data import AsNodePredDataset

{{ data_import_code }}

{{ model_code }}

{% if user_cfg.early_stop %}
class EarlyStopping:
    def __init__(self,
                 patience: int = -1,
                 checkpoint_path: str = 'checkpoint.pt'):
        self.patience = patience
        self.checkpoint_path = checkpoint_path
        self.counter = 0
        self.best_score = None
        self.early_stop = False

    def step(self, acc, model):
        score = acc
        if self.best_score is None:
            self.best_score = score
            self.save_checkpoint(model)
        elif score < self.best_score:
            self.counter += 1
            print(f'EarlyStopping counter: {self.counter} out of {self.patience}')
            if self.counter >= self.patience:
                self.early_stop = True
        else:
            self.best_score = score
            self.save_checkpoint(model)
            self.counter = 0
        return self.early_stop

    def save_checkpoint(self, model):
        '''Save model when validation loss decreases.'''
        torch.save(model.state_dict(), self.checkpoint_path)

    def load_checkpoint(self, model):
        model.load_state_dict(torch.load(self.checkpoint_path))
{% endif %}


def load_subtensor(nfeat, labels, seeds, input_nodes, device):
    """
    Extracts features and labels for a subset of nodes
    """
    batch_inputs = nfeat[input_nodes].to(device)
    batch_labels = labels[seeds].to(device)
    return batch_inputs, batch_labels

def evaluate(model, g, nfeat, labels, val_nid, eval_device):
    """
    Evaluate the model on the validation set specified by ``val_nid``.
    g : The entire graph.
    inputs : The features of all the nodes.
    labels : The labels of all the nodes.
    val_nid : the node Ids for validation.
    device : The GPU device to evaluate on.
    """
    model.eval()
    eval_model = model.to(eval_device)
    g = g.to(eval_device)
    nfeat = nfeat.to(eval_device)
    with torch.no_grad():
        y = eval_model(g, nfeat)
    model.train()
    return accuracy(y[val_nid], labels[val_nid].to(y.device))

def accuracy(logits, labels):
    _, indices = torch.max(logits, dim=1)
    correct = torch.sum(indices == labels)
    return correct.item() * 1.0 / len(labels)

def train(cfg, pipeline_cfg, device, data, model, optimizer, loss_fcn):
    g = data[0]  # Only train on the first graph
    g = dgl.remove_self_loop(g)
    g = dgl.add_self_loop(g)
    train_g = val_g = test_g = g

    train_nfeat = val_nfeat = test_nfeat = train_g.ndata['feat']
    train_labels = val_labels = test_labels = train_g.ndata['label']

    train_nid = torch.nonzero(train_g.ndata['train_mask'], as_tuple=True)[0]
    val_nid = torch.nonzero(val_g.ndata['val_mask'], as_tuple=True)[0]
    test_nid = torch.nonzero(~(test_g.ndata['train_mask'] | test_g.ndata['val_mask']), as_tuple=True)[0]

    sampler = dgl.dataloading.MultiLayerNeighborSampler(
        [int(fanout) for fanout in pipeline_cfg["sampler"]["fan_out"]])
    dataloader = dgl.dataloading.NodeDataLoader(
        train_g,
        train_nid,
        sampler,
        device=device,
        batch_size=pipeline_cfg["sampler"]["batch_size"],
        shuffle=True,
        drop_last=False,
        num_workers=pipeline_cfg["sampler"]["num_workers"])

    {% if user_cfg.early_stop %}
    stopper = EarlyStopping(pipeline_cfg['patience'], pipeline_cfg['checkpoint_path'])    
    {% endif %}
    val_acc = 0.
    for epoch in range(pipeline_cfg['num_epochs']):
        model.train()
        model = model.to(device)
        for step, (input_nodes, seeds, subgs) in enumerate(dataloader):
            # Load the input features as well as output labels
            batch_inputs, batch_labels = load_subtensor(train_nfeat, train_labels,
                                                        seeds, input_nodes, device)
            subgs = [subg.int().to(device) for subg in subgs]
            batch_pred = model.forward_block(subgs, batch_inputs)
            loss = loss_fcn(batch_pred, batch_labels)

            optimizer.zero_grad()
            loss.backward()
            optimizer.step()
            
            train_acc = accuracy(batch_pred, batch_labels)                
            print("Epoch {:05d} | Step {:05d} | Loss {:.4f} | TrainAcc {:.4f}".                
                format(epoch, step, loss.item(), train_acc))

        if epoch % pipeline_cfg["eval_period"] == 0 and epoch != 0:
            val_acc = evaluate(model, val_g, val_nfeat, val_labels, val_nid, cfg["eval_device"])
            print('Eval Acc {:.4f}'.format(val_acc))
        {% if user_cfg.early_stop %}
        if stopper.step(val_acc, model):            
            break
        {% endif %}

    {% if user_cfg.early_stop %}
    stopper.load_checkpoint(model)
    {% endif %}
    model.eval()
    with torch.no_grad():
        test_acc = evaluate(model, test_g, test_nfeat, test_labels, test_nid, cfg["eval_device"])
    return test_acc

def main():
    {{ user_cfg_str }}
    device = cfg['device']
    pipeline_cfg = cfg["general_pipeline"]
    # load data
    data = AsNodePredDataset({{data_initialize_code}})
    # create model
    model_cfg = cfg["model"]
    cfg["model"]["data_info"] = {
        "in_size": model_cfg['embed_size'] if model_cfg['embed_size'] > 0 else data[0].ndata['feat'].shape[1],
        "out_size": data.num_classes,
        "num_nodes": data[0].num_nodes()
    }
    model = {{ model_class_name }}(**cfg["model"])
    model = model.to(device)
    loss = torch.nn.{{ user_cfg.general_pipeline.loss }}()
    optimizer = torch.optim.{{ user_cfg.general_pipeline.optimizer.name }}(model.parameters(), **pipeline_cfg["optimizer"])
    # train
    test_acc = train(cfg, pipeline_cfg, device, data, model, optimizer, loss)
    return test_acc

if __name__ == '__main__':
    all_acc = []
    num_runs = {{ user_cfg.general_pipeline.num_runs }}
    for run in range(num_runs):
        print(f'Run experiment #{run}')
        test_acc = main()
        print("Test Accuracy {:.4f}".format(test_acc))
        all_acc.append(test_acc)
    avg_acc = np.round(np.mean(all_acc), 6)
    std_acc = np.round(np.std(all_acc), 6)
    print(f'Accuracy across {num_runs} runs: {avg_acc} ± {std_acc}')