linkpred.jinja-py

import dgl
from dgl.data import AsLinkPredDataset
import torch
import torch.nn as nn
import torch.nn.functional as F
from torch.utils.data import DataLoader
import numpy as np

{{ data_import_code }}


{{ edge_model_code }}

{{ node_model_code}}

class Model(nn.Module):
    def __init__(self, node_model, edge_model, neg_sampler, eval_batch_size):
        super().__init__()
        self.node_model = node_model
        self.edge_model = edge_model
        self.neg_sampler = neg_sampler
        self.eval_batch_size = eval_batch_size

    def inference(self, g, x, edges):
        src, dst = edges
        h = self.node_model(g, x)
        eid_dataloader = DataLoader(
            range(
                src.shape[-1]),
            batch_size=self.eval_batch_size) 
        score_list = []
        for eids in eid_dataloader:
            score = self.edge_model(h[src[eids]], h[dst[eids]])
        score_list.append(score)
        return torch.cat(score_list, dim=0)

def calc_hitsk(y_pred_pos, y_pred_neg, k):
    kth_score_in_negative_edges = torch.topk(y_pred_neg.flatten(), k)[0][-1]
    hitsK = (y_pred_pos > kth_score_in_negative_edges).float().mean()
    return hitsK.item()

def train(cfg, pipeline_cfg, device, dataset, model, optimizer, loss_fcn):
    train_g = dataset.train_graph
    train_g = train_g.to(device)
    node_feat = train_g.ndata['feat']
    train_src, train_dst = train_g.edges()
    for epoch in range(pipeline_cfg['num_epochs']):
        model.train()
        eid_dataloader = DataLoader(range(train_g.num_edges()), batch_size = pipeline_cfg["train_batch_size"], shuffle=True)
        for eids in eid_dataloader:
            h = model.node_model(train_g, node_feat)
            eids = eids.to(device)
            src, dst = train_src[eids], train_dst[eids]
            pos_score = model.edge_model(h[src], h[dst])
            neg_src, neg_dst = model.neg_sampler(train_g, eids)
            neg_score = model.edge_model(h[neg_src], h[neg_dst])
            loss = loss_fcn(torch.cat([pos_score, neg_score]),  torch.cat(
                [torch.ones_like(pos_score), torch.zeros_like(neg_score)]))
        
            optimizer.zero_grad()
            loss.backward()
            torch.nn.utils.clip_grad_norm_(model.parameters(), 1.0)
            optimizer.step()
        with torch.no_grad():
            model.eval()
            val_neg_edges = dataset.val_edges[1]
            val_neg_score = model.inference(train_g, node_feat, val_neg_edges)
        train_hits = calc_hitsk(pos_score, val_neg_score, k=50)
        print("Epoch {:05d} | Loss {:.4f} | Train Hits@50 {:.4f}".format(epoch, loss, train_hits))

        if epoch != 0 and epoch % pipeline_cfg['eval_period'] == 0:
            with torch.no_grad():
                model.eval()
                val_pos_edge, val_neg_edges = dataset.val_edges
                pos_result = model.inference(train_g, node_feat, val_pos_edge)
                neg_result = model.inference(train_g, node_feat, val_neg_edges)
                val_hits = calc_hitsk(pos_result, neg_result, k=50)
            print("Epoch {:05d} | Val Hits@50 {:.4f}".format(epoch, val_hits))

    with torch.no_grad():
        model.eval()        
        test_pos_edge, test_neg_edges = dataset.test_edges
        pos_result = model.inference(train_g, node_feat, test_pos_edge)
        neg_result = model.inference(train_g, node_feat, test_neg_edges)
        test_hits = calc_hitsk(pos_result, neg_result, k=50)
        print("Test Hits@50 {:.4f}".format(test_hits))
    return test_hits


def main():
    {{user_cfg_str}}
    device = cfg['device']
    pipeline_cfg = cfg['general_pipeline']
    dataset = AsLinkPredDataset({{ data_initialize_code }})
    if 'feat' not in dataset[0].ndata:
        assert cfg["node_model"]["embed_size"] > 0, "Need to specify embed size if graph doesn't have feat in ndata"
    cfg["node_model"]["data_info"] = {
        "in_size": cfg["node_model"]['embed_size'] if cfg["node_model"]['embed_size'] > 0 else dataset[0].ndata['feat'].shape[1],
        "out_size": pipeline_cfg['hidden_size'],
        "num_nodes": dataset[0].num_nodes()
        }
    cfg["edge_model"]["data_info"] = {
        "in_size": pipeline_cfg['hidden_size'],
        "out_size": 1 # output each edge score
    }
    node_model = {{node_model_class_name}}(**cfg["node_model"])
    edge_model = {{edge_model_class_name}}(**cfg["edge_model"])
    neg_sampler = dgl.dataloading.negative_sampler.{{ neg_sampler_name }}(**cfg["neg_sampler"])
    model = Model(node_model, edge_model, neg_sampler, pipeline_cfg["eval_batch_size"])
    model = model.to(device)
    params = model.parameters()
    loss = torch.nn.{{ loss }}()
    optimizer = torch.optim.Adam(params, **pipeline_cfg["optimizer"])
    test_hits = train(cfg, pipeline_cfg, device, dataset, model, optimizer, loss)
    return test_hits

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 Hits@50 {:.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'Test Hits@50 across {num_runs} runs: {avg_acc} ± {std_acc}')