"""Generate larger ensemble submission candidates. This script extends the confirmed 6-model LightGCN ensemble by using every compatible checkpoint in `checkpoints/extra_models/`, and optionally blends rank-normalized cached BPR / LightGBM scores. Run from the package root: python code/generate_large_ensemble_submission.py """ from __future__ import annotations import argparse import pickle as pkl from pathlib import Path import numpy as np import pandas as pd import torch import torch.nn as nn from numpy.linalg import norm from torch_geometric.data import HeteroData EDGE_TYPES = [ ("author", "ref", "paper"), ("paper", "beref", "author"), ("paper", "cite", "paper"), ("author", "coauthor", "author"), ] def read_txt(path: Path) -> list[list[int]]: rows: list[list[int]] = [] with path.open("r") as f: for line in f: rows.append(list(map(int, line.strip().split()))) return rows def log_norm(x: np.ndarray) -> np.ndarray: x = np.log1p(x) return (x - x.mean()) / (x.std() + 1e-8) class LightGCNLayer(nn.Module): def forward(self, x_dict, edge_index_dict): agg_dict = {node_type: [] for node_type in x_dict} for edge_type in EDGE_TYPES: if edge_type not in edge_index_dict: continue src_type, _, dst_type = edge_type src, dst = edge_index_dict[edge_type] src_x = x_dict[src_type] agg = src_x.new_zeros((x_dict[dst_type].size(0), src_x.size(-1))) deg = src_x.new_zeros((x_dict[dst_type].size(0), 1)) agg.index_add_(0, dst, src_x[src]) deg.index_add_( 0, dst, torch.ones((dst.numel(), 1), dtype=src_x.dtype, device=src_x.device), ) agg_dict[dst_type].append(agg / deg.clamp(min=1.0)) return { node_type: sum(aggs) / len(aggs) if aggs else x_dict[node_type] for node_type, aggs in agg_dict.items() } class LightGCN(nn.Module): def __init__(self, num_authors: int, paper_feat_dim: int, embed_dim: int, num_layers: int = 4): super().__init__() self.author_emb = nn.Embedding(num_authors, embed_dim) self.paper_proj = nn.Linear(paper_feat_dim, embed_dim) self.layers = nn.ModuleList([LightGCNLayer() for _ in range(num_layers)]) self.num_layers = num_layers def encode(self, data): x_dict = { "author": self.author_emb.weight, "paper": self.paper_proj(data["paper"].x), } all_layers = [x_dict] for layer in self.layers: x_dict = layer(x_dict, data.edge_index_dict) all_layers.append(x_dict) weight = 1.0 / (self.num_layers + 1) return { node_type: sum(weight * layer[node_type] for layer in all_layers) for node_type in x_dict } def cos_sim(a: np.ndarray, b: np.ndarray, eps: float = 1e-12) -> np.ndarray: return np.sum(a * b, axis=1) / (norm(a, axis=1) * norm(b, axis=1) + eps) def build_features(data_dir: Path, num_papers: int): citation = read_txt(data_dir / "paper_file_ann.txt") existing_refs = read_txt(data_dir / "bipartite_train_ann.txt") refs_to_pred = read_txt(data_dir / "bipartite_test_ann.txt") coauthor = read_txt(data_dir / "author_file_ann.txt") with (data_dir / "feature.pkl").open("rb") as f: paper_feature = pkl.load(f) paper_ref_deg = np.zeros(num_papers, dtype=np.float32) paper_cite_out = np.zeros(num_papers, dtype=np.float32) paper_cite_in = np.zeros(num_papers, dtype=np.float32) for _, paper in existing_refs: paper_ref_deg[paper] += 1 for source, target in citation: paper_cite_out[source] += 1 paper_cite_in[target] += 1 paper_feat_np = paper_feature.numpy().astype(np.float32) paper_deg_feat = np.stack( [log_norm(paper_ref_deg), log_norm(paper_cite_out), log_norm(paper_cite_in)], axis=-1, ) paper_feat_aug = np.concatenate([paper_feat_np, paper_deg_feat], axis=-1) paper_feat_aug = (paper_feat_aug - paper_feat_aug.mean(axis=0)) / ( paper_feat_aug.std(axis=0) + 1e-8 ) return { "citation": pd.DataFrame(citation, columns=["source", "target"]), "existing_refs": existing_refs, "refs_to_pred": refs_to_pred, "coauthor": pd.DataFrame(coauthor, columns=["source", "target"]), "paper_feat_aug": paper_feat_aug, "ref_edges": pd.DataFrame(existing_refs, columns=["source", "target"]), } def build_data(parts, num_authors: int, num_papers: int, device: torch.device): ref_tensor = torch.as_tensor( parts["ref_edges"][["source", "target"]].to_numpy(), dtype=torch.long ) cite_tensor = torch.as_tensor( parts["citation"][["source", "target"]].to_numpy(), dtype=torch.long ) coauthor_tensor = torch.as_tensor( parts["coauthor"][["source", "target"]].to_numpy(), dtype=torch.long ) data = HeteroData() data["author"].num_nodes = num_authors data["paper"].num_nodes = num_papers data["paper"].x = torch.as_tensor(parts["paper_feat_aug"], dtype=torch.float) data["author", "ref", "paper"].edge_index = ref_tensor.t().contiguous() data["paper", "beref", "author"].edge_index = ref_tensor[:, [1, 0]].t().contiguous() data["paper", "cite", "paper"].edge_index = torch.cat( [cite_tensor, cite_tensor[:, [1, 0]]], dim=0 ).t().contiguous() data["author", "coauthor", "author"].edge_index = torch.cat( [coauthor_tensor, coauthor_tensor[:, [1, 0]]], dim=0 ).t().contiguous() return data.to(device) @torch.no_grad() def predict(model: LightGCN, data, pairs: np.ndarray, batch_size: int) -> np.ndarray: model.eval() z_dict = model.encode(data) author_z = z_dict["author"].cpu().numpy() paper_z = z_dict["paper"].cpu().numpy() scores = [] for start in range(0, len(pairs), batch_size): end = min(start + batch_size, len(pairs)) batch = pairs[start:end] scores.append(cos_sim(author_z[batch[:, 0]], paper_z[batch[:, 1]]).astype(np.float32)) return np.concatenate(scores) def checkpoint_weight(path: Path) -> float: name = path.name if name in { "model_lgcn_s0.pt", "model_lgcn_s42.pt", "model_lgcn_s2024.pt", "model_lgcn_s10.pt", "model_lgcn_s100.pt", "model_lgcn_dim384_s99.pt", }: return 1.0 if name.startswith("model_lgcn_s"): return 0.8 if name.startswith("model_best_"): return 0.6 return 0.5 def percent_rank(x: np.ndarray) -> np.ndarray: order = np.argsort(x, kind="mergesort") ranks = np.empty_like(order, dtype=np.float32) ranks[order] = np.linspace(0.0, 1.0, num=len(x), dtype=np.float32) return ranks def write_threshold_submissions( scores: np.ndarray, known_mask: np.ndarray, output_dir: Path, prefix: str, thresholds: list[float], ) -> None: forced = scores.copy() forced[known_mask] = 1.0 for threshold in thresholds: preds = (forced >= threshold).astype(np.int8) out = pd.DataFrame( [[idx, str(int(pred))] for idx, pred in enumerate(preds)], columns=["Index", "Predicted"], dtype=object, ) path = output_dir / f"{prefix}_t{threshold:.2f}.csv" out.to_csv(path, index=False) print(f"{path}: positives={int(preds.sum())} ratio={preds.mean():.6f}") def write_top_ratio_submissions( scores: np.ndarray, known_mask: np.ndarray, output_dir: Path, prefix: str, ratios: list[float], ) -> None: forced = scores.copy() forced[known_mask] = np.inf order = np.argsort(forced)[::-1] for ratio in ratios: k = int(round(len(scores) * ratio)) preds = np.zeros(len(scores), dtype=np.int8) preds[order[:k]] = 1 out = pd.DataFrame( [[idx, str(int(pred))] for idx, pred in enumerate(preds)], columns=["Index", "Predicted"], dtype=object, ) path = output_dir / f"{prefix}_r{ratio:.3f}.csv" out.to_csv(path, index=False) print(f"{path}: positives={int(preds.sum())} ratio={preds.mean():.6f}") def main() -> None: parser = argparse.ArgumentParser() parser.add_argument("--package-root", type=Path, default=Path(__file__).resolve().parents[1]) parser.add_argument("--device", default="cuda:0" if torch.cuda.is_available() else "cpu") parser.add_argument("--batch-size", type=int, default=65536) parser.add_argument("--recompute", action="store_true") parser.add_argument( "--thresholds", nargs="*", type=float, default=[0.34, 0.35, 0.36, 0.37, 0.38, 0.39, 0.40], ) parser.add_argument( "--ratios", nargs="*", type=float, default=[0.505, 0.515, 0.521, 0.530, 0.540], ) args = parser.parse_args() root = args.package_root data_dir = root / "data_and_docs" checkpoint_dir = root / "checkpoints" / "extra_models" score_dir = root / "cached_scores" / "large_ensemble" output_dir = root / "submissions" / "large_ensemble" score_dir.mkdir(parents=True, exist_ok=True) output_dir.mkdir(parents=True, exist_ok=True) device = torch.device(args.device) num_authors = 6611 num_papers = 79937 parts = build_features(data_dir, num_papers) data = build_data(parts, num_authors, num_papers, device) test_arr = np.array(parts["refs_to_pred"], dtype=np.int64) train_set = set(map(tuple, parts["existing_refs"])) known_mask = np.array([tuple(pair) in train_set for pair in parts["refs_to_pred"]]) print(f"known positives: {known_mask.sum()} / {len(known_mask)}") checkpoints = sorted(checkpoint_dir.glob("*.pt")) model_scores = [] weights = [] for path in checkpoints: cache_path = score_dir / f"{path.stem}.npy" if cache_path.exists() and not args.recompute: scores = np.load(cache_path).astype(np.float32) print(f"{path.name}: loaded cached scores") else: state = torch.load(path, map_location=device) embed_dim = state["author_emb.weight"].shape[1] model = LightGCN(num_authors, parts["paper_feat_aug"].shape[1], embed_dim).to(device) model.load_state_dict(state) scores = predict(model, data, test_arr, args.batch_size) np.save(cache_path, scores) print(f"{path.name}: computed scores") del model if device.type == "cuda": torch.cuda.empty_cache() print(f" mean={scores.mean():.6f} std={scores.std():.6f} weight={checkpoint_weight(path):.2f}") model_scores.append(scores) weights.append(checkpoint_weight(path)) score_stack = np.vstack(model_scores).astype(np.float32) weights_np = np.array(weights, dtype=np.float32) lgcn14_mean = score_stack.mean(axis=0) lgcn14_weighted = np.average(score_stack, axis=0, weights=weights_np).astype(np.float32) np.save(score_dir / "lgcn14_mean.npy", lgcn14_mean) np.save(score_dir / "lgcn14_weighted.npy", lgcn14_weighted) write_threshold_submissions(lgcn14_mean, known_mask, output_dir, "sub_lgcn14_mean", args.thresholds) write_threshold_submissions( lgcn14_weighted, known_mask, output_dir, "sub_lgcn14_weighted", args.thresholds ) cached_dir = root / "cached_scores" cached_components = { "bpr_cos": np.load(cached_dir / "test_bpr_cos.npy").astype(np.float32), "bpr_dot": np.load(cached_dir / "test_bpr_dot.npy").astype(np.float32), "lgb": np.load(cached_dir / "test_lgb_scores.npy").astype(np.float32), "lgb_v2": np.load(cached_dir / "test_lgb_v2_scores.npy").astype(np.float32), } rank_blend = 0.74 * percent_rank(lgcn14_weighted) rank_blend += 0.10 * percent_rank(cached_components["bpr_cos"]) rank_blend += 0.06 * percent_rank(cached_components["bpr_dot"]) rank_blend += 0.05 * percent_rank(cached_components["lgb"]) rank_blend += 0.05 * percent_rank(cached_components["lgb_v2"]) rank_blend = rank_blend.astype(np.float32) np.save(score_dir / "rank_blend_lgcn14_bpr_lgb.npy", rank_blend) write_top_ratio_submissions(rank_blend, known_mask, output_dir, "sub_rankblend_lgcn14_bpr_lgb", args.ratios) if __name__ == "__main__": main()