"""Stack LightGCN scores with explicit graph/meta-path features. The validation estimate uses out-of-fold predictions on the notebook-style dynamic validation split, so the second-stage model is not evaluated on rows it was trained on. """ from __future__ import annotations import argparse import importlib.util from pathlib import Path import lightgbm as lgb import numpy as np import pandas as pd from sklearn.linear_model import LogisticRegression from sklearn.metrics import precision_recall_curve, roc_auc_score from sklearn.model_selection import StratifiedKFold def load_lgcn_module(path: Path): spec = importlib.util.spec_from_file_location("train_val_lgcn_ensemble", path) module = importlib.util.module_from_spec(spec) assert spec.loader is not None spec.loader.exec_module(module) return module def read_txt(path: Path) -> list[list[int]]: return [list(map(int, line.strip().split())) for line in path.open()] def best_f1(y: np.ndarray, score: np.ndarray): p, r, t = precision_recall_curve(y, score) f = 2 * p * r / (p + r + 1e-12) i = int(np.argmax(f)) th = float(t[i]) if i < len(t) else 0.5 return float(f[i]), th, float(roc_auc_score(y, score)) def rank01(x: np.ndarray) -> np.ndarray: order = np.argsort(x, kind="mergesort") out = np.empty(len(x), dtype=np.float32) out[order] = np.linspace(0, 1, len(x), dtype=np.float32) return out def zscore(x: np.ndarray) -> np.ndarray: return ((x - x.mean()) / (x.std() + 1e-8)).astype(np.float32) class ExplicitGraphFeatures: def __init__(self, root: Path, train_refs: pd.DataFrame, num_authors: int = 6611, num_papers: int = 79937): data_dir = root / "data_and_docs" self.num_authors = num_authors self.num_papers = num_papers self.train = train_refs[["source", "target"]].to_numpy(np.int64) citation = np.array(read_txt(data_dir / "paper_file_ann.txt"), dtype=np.int64) coauthor = np.array(read_txt(data_dir / "author_file_ann.txt"), dtype=np.int64) self.author_papers: list[set[int]] = [set() for _ in range(num_authors)] self.paper_readers: list[set[int]] = [set() for _ in range(num_papers)] self.author_degree = np.zeros(num_authors, dtype=np.float32) self.paper_degree = np.zeros(num_papers, dtype=np.float32) for a, p in self.train: a = int(a) p = int(p) self.author_papers[a].add(p) self.paper_readers[p].add(a) self.author_degree[a] += 1 self.paper_degree[p] += 1 self.coauthors: list[set[int]] = [set() for _ in range(num_authors)] for a, b in coauthor: self.coauthors[int(a)].add(int(b)) self.coauthors[int(b)].add(int(a)) self.paper_refs: list[set[int]] = [set() for _ in range(num_papers)] self.paper_cited_by: list[set[int]] = [set() for _ in range(num_papers)] self.cite_out_degree = np.zeros(num_papers, dtype=np.float32) self.cite_in_degree = np.zeros(num_papers, dtype=np.float32) for s, t in citation: s = int(s) t = int(t) self.paper_refs[s].add(t) self.paper_cited_by[t].add(s) self.cite_out_degree[s] += 1 self.cite_in_degree[t] += 1 # A-P-A neighborhood: authors sharing at least one historical paper. self.shared_paper_authors: list[set[int]] = [set() for _ in range(num_authors)] for a in range(num_authors): neigh = set() for p in self.author_papers[a]: neigh.update(self.paper_readers[p]) neigh.discard(a) self.shared_paper_authors[a] = neigh # Coauthor paper union is reused by A-A-P style counts. self.coauthor_paper_union: list[set[int]] = [set() for _ in range(num_authors)] for a in range(num_authors): papers = set() for c in self.coauthors[a]: papers.update(self.author_papers[c]) self.coauthor_paper_union[a] = papers def transform(self, pairs: np.ndarray) -> np.ndarray: out = np.zeros((len(pairs), 18), dtype=np.float32) for i, (a_raw, p_raw) in enumerate(pairs): a = int(a_raw) p = int(p_raw) hist = self.author_papers[a] coauthors = self.coauthors[a] co_papers = self.coauthor_paper_union[a] refs = self.paper_refs[p] cited_by = self.paper_cited_by[p] readers = self.paper_readers[p] co_read_count = sum(1 for c in coauthors if p in self.author_papers[c]) hist_ref_overlap = len(hist & refs) hist_cited_by_overlap = len(hist & cited_by) ref_union = len(hist | refs) cited_by_union = len(hist | cited_by) shared_author_read_count = len(self.shared_paper_authors[a] & readers) out[i, 0] = self.author_degree[a] out[i, 1] = self.paper_degree[p] out[i, 2] = len(coauthors) out[i, 3] = co_read_count out[i, 4] = co_read_count / max(1.0, float(len(coauthors))) out[i, 5] = self.cite_in_degree[p] out[i, 6] = self.cite_out_degree[p] out[i, 7] = hist_ref_overlap out[i, 8] = hist_cited_by_overlap out[i, 9] = hist_ref_overlap / max(1.0, float(ref_union)) out[i, 10] = hist_cited_by_overlap / max(1.0, float(cited_by_union)) out[i, 11] = float(p in co_papers) # A-A-P binary. out[i, 12] = co_read_count # A-A-P count. out[i, 13] = hist_ref_overlap + hist_cited_by_overlap # A-P-P count. out[i, 14] = shared_author_read_count # A-P-A-P count. out[i, 15] = shared_author_read_count / max(1.0, float(len(self.shared_paper_authors[a]))) out[i, 16] = np.log1p(self.author_degree[a]) out[i, 17] = np.log1p(self.paper_degree[p]) return out def add_rank_features(pairs: np.ndarray, score: np.ndarray) -> np.ndarray: global_rank = rank01(score) author_pct = np.zeros(len(score), dtype=np.float32) author_rank = np.zeros(len(score), dtype=np.float32) df = pd.DataFrame({"idx": np.arange(len(score)), "author": pairs[:, 0], "score": score}) for _, g in df.groupby("author", sort=False): order = np.argsort(g["score"].to_numpy(), kind="mergesort") idx = g["idx"].to_numpy() n = len(idx) vals = np.linspace(0, 1, n, dtype=np.float32) if n > 1 else np.array([1.0], dtype=np.float32) author_pct[idx[order]] = vals author_rank[idx[order]] = np.arange(n, dtype=np.float32) return np.column_stack([score.astype(np.float32), global_rank, author_pct, author_rank]) def fit_oof(X: np.ndarray, y: np.ndarray, model_kind: str, seed: int, n_splits: int) -> np.ndarray: oof = np.zeros(len(y), dtype=np.float32) skf = StratifiedKFold(n_splits=n_splits, shuffle=True, random_state=seed) for fold, (tr, va) in enumerate(skf.split(X, y), start=1): if model_kind == "logreg": clf = LogisticRegression(C=0.5, max_iter=1000, solver="lbfgs") else: clf = lgb.LGBMClassifier( n_estimators=1200, learning_rate=0.025, num_leaves=31, subsample=0.9, colsample_bytree=0.9, reg_lambda=5.0, min_child_samples=80, objective="binary", verbose=-1, random_state=seed + fold, ) clf.fit(X[tr], y[tr]) oof[va] = clf.predict_proba(X[va])[:, 1] return oof def boundary_rerank(y: np.ndarray, lgcn: np.ndarray, stack: np.ndarray, raw_th: float): best = None dist = np.abs(lgcn - raw_th) for frac in [0.05, 0.10, 0.15, 0.20, 0.30, 0.40]: cutoff = np.quantile(dist, frac) mask = dist <= cutoff for alpha in np.linspace(0.0, 1.0, 11): score = zscore(lgcn) mixed = alpha * zscore(lgcn) + (1.0 - alpha) * zscore(stack) score[mask] = mixed[mask] f1, th, auc = best_f1(y, score) row = {"frac": frac, "alpha_lgcn": float(alpha), "f1": f1, "threshold": th, "auc": auc} if best is None or f1 > best["f1"]: best = row return best def main(): parser = argparse.ArgumentParser() parser.add_argument("--package-root", type=Path, default=Path(__file__).resolve().parents[1]) parser.add_argument("--split-seed", type=int, required=True) parser.add_argument("--lgcn-score-file", type=Path, required=True) parser.add_argument("--model-kind", choices=["lgb", "logreg"], default="lgb") parser.add_argument("--n-splits", type=int, default=5) parser.add_argument("--seed", type=int, default=0) parser.add_argument("--test-score-file", type=Path, default=None) parser.add_argument("--test-feature-source", choices=["split", "full"], default="full") args = parser.parse_args() root = args.package_root lgcn_mod = load_lgcn_module(root / "code" / "train_val_lgcn_ensemble.py") train_refs, val_pairs = lgcn_mod.make_notebook_style_split(root, args.split_seed, 0.9) builder = ExplicitGraphFeatures(root, train_refs) val_arr = val_pairs[["source", "target"]].to_numpy(np.int64) y = val_pairs["label"].to_numpy(np.int8) lgcn_score = np.load(args.lgcn_score_file).astype(np.float32) if len(lgcn_score) != len(y): raise ValueError(f"score length {len(lgcn_score)} != labels {len(y)}") print("computing validation explicit graph features", val_arr.shape) X_hand = builder.transform(val_arr) X_rank = add_rank_features(val_arr, lgcn_score) X_stack = np.column_stack([X_rank, X_hand]).astype(np.float32) raw_f1, raw_th, raw_auc = best_f1(y, lgcn_score) hand_oof = fit_oof(X_hand, y, args.model_kind, args.seed, args.n_splits) hand_f1, hand_th, hand_auc = best_f1(y, hand_oof) stack_oof = fit_oof(X_stack, y, args.model_kind, args.seed, args.n_splits) stack_f1, stack_th, stack_auc = best_f1(y, stack_oof) rerank = boundary_rerank(y, lgcn_score, stack_oof, raw_th) out_dir = root / "validation_runs" / f"dynamic_seed{args.split_seed}" / "stack_rank_calibration" out_dir.mkdir(parents=True, exist_ok=True) np.save(out_dir / "val_handcrafted_oof.npy", hand_oof) np.save(out_dir / "val_stack_oof.npy", stack_oof) rows = [ {"method": "lgcn_raw", "f1": raw_f1, "threshold": raw_th, "auc": raw_auc}, {"method": f"handcrafted_{args.model_kind}_oof", "f1": hand_f1, "threshold": hand_th, "auc": hand_auc}, {"method": f"stack_lgcn_hand_{args.model_kind}_oof", "f1": stack_f1, "threshold": stack_th, "auc": stack_auc}, {"method": "boundary_rerank", **rerank}, ] result = pd.DataFrame(rows).sort_values("f1", ascending=False) result.to_csv(out_dir / "result.csv", index=False) print(result.to_string(index=False)) if args.test_score_file is not None: test_pairs = np.array(read_txt(root / "data_and_docs" / "bipartite_test_ann.txt"), dtype=np.int64) test_score = np.load(args.test_score_file).astype(np.float32) if len(test_score) != len(test_pairs): raise ValueError(f"test score length {len(test_score)} != test pairs {len(test_pairs)}") test_builder = builder if args.test_feature_source == "full": full_refs = pd.DataFrame( read_txt(root / "data_and_docs" / "bipartite_train_ann.txt"), columns=["source", "target"], ) test_builder = ExplicitGraphFeatures(root, full_refs) print("computing test explicit graph features", test_pairs.shape) X_test = np.column_stack([add_rank_features(test_pairs, test_score), test_builder.transform(test_pairs)]).astype(np.float32) clf = lgb.LGBMClassifier( n_estimators=1200, learning_rate=0.025, num_leaves=31, subsample=0.9, colsample_bytree=0.9, reg_lambda=5.0, min_child_samples=80, objective="binary", verbose=-1, random_state=args.seed, ) clf.fit(X_stack, y) test_pred = clf.predict_proba(X_test)[:, 1].astype(np.float32) np.save(out_dir / "test_stack_pred.npy", test_pred) for ratio in [0.505, 0.515, 0.521, 0.530, 0.540]: n_pos = int(round(len(test_pred) * ratio)) pred = np.zeros(len(test_pred), dtype=np.int8) pred[np.argsort(test_pred)[-n_pos:]] = 1 known = np.load(root / "cached_scores" / "test_known_mask.npy").astype(bool) pred[known] = 1 sub = pd.DataFrame({"Id": np.arange(len(pred)), "Probability": pred}) sub.to_csv(out_dir / f"submission_stack_r{ratio:.3f}.csv", index=False) print(f"saved test predictions and ratio submissions under {out_dir}") if __name__ == "__main__": main()