"""Node2Vec model for the edge_ML_expected_ge5 graph. Default run is a smoke check (builds the model, runs a few optimizer steps). Pass --epochs N to train, which writes embeddings to --out. """ import argparse import time import torch from torch_geometric.data import Data from torch_geometric.data.data import DataEdgeAttr, DataTensorAttr from torch_geometric.data.storage import BaseStorage, EdgeStorage, GlobalStorage from torch_geometric.nn import Node2Vec from paths import EMB_PATH, GRAPH_PATH GRAPH = GRAPH_PATH def load_graph(path: str = GRAPH) -> Data: torch.serialization.add_safe_globals( [Data, DataEdgeAttr, DataTensorAttr, BaseStorage, EdgeStorage, GlobalStorage] ) return torch.load(path, weights_only=True) def build_model(data: Data, args: argparse.Namespace, device: torch.device) -> Node2Vec: return Node2Vec( data.edge_index, embedding_dim=args.embedding_dim, walk_length=args.walk_length, context_size=args.context_size, walks_per_node=args.walks_per_node, num_negative_samples=args.num_negative_samples, p=args.p, q=args.q, num_nodes=data.num_nodes, sparse=True, # pairs with SparseAdam; the embedding table is the only param ).to(device) def main() -> None: ap = argparse.ArgumentParser() ap.add_argument("--embedding-dim", type=int, default=128) ap.add_argument("--walk-length", type=int, default=20) ap.add_argument("--context-size", type=int, default=10) ap.add_argument("--walks-per-node", type=int, default=10) ap.add_argument("--num-negative-samples", type=int, default=1) ap.add_argument("--p", type=float, default=1.0, help="return parameter") ap.add_argument("--q", type=float, default=1.0, help="in-out parameter") ap.add_argument("--batch-size", type=int, default=128) ap.add_argument("--lr", type=float, default=0.01) ap.add_argument("--num-workers", type=int, default=4) ap.add_argument("--epochs", type=int, default=0, help="0 = smoke check only") ap.add_argument("--steps", type=int, default=5, help="steps for the smoke check") ap.add_argument("--out", default=EMB_PATH) args = ap.parse_args() device = torch.device("cuda" if torch.cuda.is_available() else "cpu") data = load_graph() model = build_model(data, args, device) print(f"graph : {data.num_nodes:,} nodes, {data.edge_index.size(1) // 2:,} undirected edges") print(f"device : {device}") print(f"model : {model}") print(f"parameters : {sum(p.numel() for p in model.parameters()):,} " f"({data.num_nodes:,} x {args.embedding_dim})") print(f"walks : length={args.walk_length} context={args.context_size} " f"per_node={args.walks_per_node} p={args.p} q={args.q}") loader = model.loader(batch_size=args.batch_size, shuffle=True, num_workers=args.num_workers) optimizer = torch.optim.SparseAdam(list(model.parameters()), lr=args.lr) print(f"loader : {len(loader):,} batches/epoch of {args.batch_size} seed nodes") def run_epoch(max_steps: int | None = None) -> float: model.train() total, n = 0.0, 0 for i, (pos_rw, neg_rw) in enumerate(loader): optimizer.zero_grad() loss = model.loss(pos_rw.to(device), neg_rw.to(device)) loss.backward() optimizer.step() total, n = total + loss.item(), n + 1 if max_steps is not None and i + 1 >= max_steps: break return total / max(n, 1) if args.epochs == 0: t0 = time.perf_counter() loss = run_epoch(max_steps=args.steps) print(f"\nsmoke check: {args.steps} steps, mean loss {loss:.4f}, " f"{time.perf_counter() - t0:.1f}s") z = model() print(f"embeddings : {tuple(z.shape)} {z.dtype} on {z.device}") print("model built and training step verified; pass --epochs N to train") return for epoch in range(1, args.epochs + 1): t0 = time.perf_counter() loss = run_epoch() print(f"epoch {epoch:>3}/{args.epochs} loss {loss:.4f} " f"{time.perf_counter() - t0:.1f}s") model.eval() with torch.no_grad(): z = model().cpu() torch.save({"embedding": z, "node_id": data.node_id, "args": vars(args)}, args.out) print(f"saved embeddings {tuple(z.shape)} -> {args.out}") if __name__ == "__main__": main()