# coarsen_lrmc_seeds_v2.py # Graph-aware coarsener for LRMC seeds. # # 1) Load Cora (normalized features) and your seeds JSON. # 2) Build a *seed meta-graph* where edge weight w_ij = #edges between seed i and j. # 3) Greedily MERGE tiny seeds (size < min_size) into the neighbor with the highest # combined score: score = lambda_conn * norm_conn + (1 - lambda_conn) * cosine. # - norm_conn = w_ij / sqrt(|Ci| * |Cj|) # - cosine = cos(proto_i, proto_j) # 4) If K is still above target_K, finish with weighted k-means on seed prototypes. # # This cuts singleton rate dramatically *without* destroying label purity as much # as feature-only k-means. # # Usage: # python coarsen_lrmc_seeds_v2.py --seeds_json seeds.json --out_json seeds_K700.json \ # --target_k 700 --min_size 5 --lambda_conn 0.7 --finish_with_kmeans # # python coarsen_lrmc_seeds_v2.py --seeds_json seeds.json --out_json seeds_ratio025.json \ # --k_ratio 0.25 --min_size 4 --lambda_conn 0.6 --finish_with_kmeans # import argparse import json from pathlib import Path from typing import Dict, List, Tuple import torch import torch.nn.functional as F from torch_geometric.datasets import Planetoid import torch_geometric.transforms as T def load_cora(normalize=True): ds = Planetoid(root="/tmp/Cora", name="Cora", transform=T.NormalizeFeatures() if normalize else None) return ds[0], ds.num_classes def read_seed_json(path: str, num_nodes: int) -> torch.Tensor: obj = json.loads(Path(path).read_text()) cid_of_node: Dict[int, int] = {} next_id = 0 for c in obj["clusters"]: cid = int(c.get("cluster_id", next_id)) next_id = max(next_id, cid + 1) for u in c["seed_nodes"]: cid_of_node[int(u)] = cid cluster_id = torch.full((num_nodes,), -1, dtype=torch.long) for u, cid in cid_of_node.items(): if 0 <= u < num_nodes: cluster_id[u] = cid # Reindex uniq = torch.unique(cluster_id[cluster_id >= 0]).tolist() remap = {int(old): i for i, old in enumerate(uniq)} for u in range(num_nodes): if cluster_id[u] >= 0: cluster_id[u] = remap[int(cluster_id[u].item())] return cluster_id def fix_uncovered_nodes(cluster_id: torch.Tensor) -> torch.Tensor: N = cluster_id.numel() next_cid = int(cluster_id.max().item()) + 1 if (cluster_id >= 0).any() else 0 for u in range(N): if cluster_id[u] < 0: cluster_id[u] = next_cid next_cid += 1 return cluster_id def cluster_size_stats(cluster_id: torch.Tensor) -> str: sizes = torch.bincount(cluster_id, minlength=int(cluster_id.max().item() + 1)).to(torch.float) singletons = (sizes == 1).float().mean().item() med = sizes.median().item() mean = sizes.mean().item() K = sizes.numel() return f"K={K}, singleton_rate={singletons:.3f}, mean_size={mean:.2f}, median_size={med:.2f}" def majority_vote_upper_bound(cluster_id: torch.Tensor, y: torch.Tensor) -> float: K = int(cluster_id.max().item() + 1) correct = 0 for k in range(K): idx = (cluster_id == k) ys = y[idx] if ys.numel() == 0: continue _, counts = torch.unique(ys, return_counts=True) correct += int(counts.max().item()) return correct / y.size(0) def prototypes_from_partition(X: torch.Tensor, cluster_id: torch.Tensor) -> Tuple[torch.Tensor, torch.Tensor]: K = int(cluster_id.max().item() + 1) F = X.size(1) device = X.device sums = torch.zeros(K, F, device=device, dtype=X.dtype) sizes = torch.bincount(cluster_id, minlength=K).to(device) sums.index_add_(0, cluster_id, X) sizes = sizes.clamp_min(1).to(X.dtype).unsqueeze(1) protos = sums / sizes sizes = sizes.squeeze(1) return protos, sizes def build_seed_metagraph(edge_index: torch.Tensor, cluster_id: torch.Tensor, K: int) -> Dict[tuple, int]: u = cluster_id[edge_index[0]] v = cluster_id[edge_index[1]] pairs = torch.stack([u, v], dim=1) mask = pairs[:,0] != pairs[:,1] pairs = pairs[mask] d: Dict[tuple, int] = {} for a, b in pairs.tolist(): if a > b: a, b = b, a d[(a, b)] = d.get((a, b), 0) + 1 return d def cosine_sim(a: torch.Tensor, b: torch.Tensor) -> float: return float(F.cosine_similarity(a.unsqueeze(0), b.unsqueeze(0), eps=1e-12).item()) def graph_aware_merge(data, cluster_id: torch.Tensor, min_size: int, lambda_conn: float, max_iters: int = 8) -> torch.Tensor: X = data.x.to(torch.float) device = X.device for _ in range(max_iters): protos, sizes = prototypes_from_partition(X, cluster_id) K = int(cluster_id.max().item() + 1) meta = build_seed_metagraph(data.edge_index.to(device), cluster_id, K) neigh = [[] for _ in range(K)] for (a,b), w in meta.items(): neigh[a].append((b, w)) neigh[b].append((a, w)) sizes_list = torch.bincount(cluster_id, minlength=K).tolist() tiny = [k for k, s in enumerate(sizes_list) if s < min_size] if not tiny: break parent = list(range(K)) def find(x): while parent[x] != x: parent[x] = parent[parent[x]] x = parent[x] return x def union(a, b): ra, rb = find(a), find(b) if ra != rb: parent[rb] = ra merges = [] for a in tiny: cand = neigh[a] best_score = -1.0 best_b = None for b, w in cand: na, nb = sizes_list[a], sizes_list[b] norm_conn = w / ((na * nb) ** 0.5 + 1e-12) cos = cosine_sim(protos[a], protos[b]) score = lambda_conn * norm_conn + (1 - lambda_conn) * max(cos, 0.0) if score > best_score: best_score, best_b = score, b if best_b is None: cos_all = torch.matmul(F.normalize(protos, dim=1), F.normalize(protos[a:a+1], dim=1).t()).squeeze(1) cos_all[a] = -1.0 best_b = int(torch.argmax(cos_all).item()) merges.append((a, best_b)) for a, b in merges: ra, rb = find(a), find(b) if ra != rb: union(ra, rb) root_map = {} new_id = 0 for k in range(K): r = find(k) if r not in root_map: root_map[r] = new_id new_id += 1 lut = torch.tensor([root_map[find(k)] for k in range(K)], dtype=torch.long, device=cluster_id.device) new_cluster_id = lut[cluster_id] if int(new_cluster_id.max().item()) + 1 == K: break cluster_id = new_cluster_id return cluster_id def weighted_kmeans(protos: torch.Tensor, weights: torch.Tensor, target_K: int, iters: int = 30, seed: int = 0) -> torch.Tensor: torch.manual_seed(seed) K0, F = protos.shape target_K = min(target_K, K0) centers = torch.empty(target_K, F, device=protos.device, dtype=protos.dtype) p0 = (weights / weights.sum()).clamp(min=1e-12) idx0 = torch.multinomial(p0, 1).item() centers[0] = protos[idx0] dist2 = (protos - centers[0:1]).pow(2).sum(dim=1) for k in range(1, target_K): prob = (weights * dist2).clamp(min=1e-12) prob = prob / prob.sum() idx = torch.multinomial(prob, 1).item() centers[k] = protos[idx] dist2 = torch.minimum(dist2, (protos - centers[k:k+1]).pow(2).sum(dim=1)) assign = torch.zeros(K0, dtype=torch.long, device=protos.device) for _ in range(iters): d2 = (protos[:, None, :] - centers[None, :, :]).pow(2).sum(dim=2) assign = d2.argmin(dim=1) new_centers = torch.zeros_like(centers) counts = torch.zeros(target_K, device=protos.device, dtype=protos.dtype) new_centers.index_add_(0, assign, protos * weights.unsqueeze(1)) counts.index_add_(0, assign, weights) mask = counts > 0 new_centers[mask] = new_centers[mask] / counts[mask].unsqueeze(1).clamp_min(1e-12) centers = torch.where(mask.unsqueeze(1), new_centers, centers) return assign def main(): ap = argparse.ArgumentParser() ap.add_argument("--seeds_json", type=str, required=True) ap.add_argument("--out_json", type=str, required=True) ap.add_argument("--target_k", type=int, default=None) ap.add_argument("--k_ratio", type=float, default=None) ap.add_argument("--min_size", type=int, default=5) ap.add_argument("--lambda_conn", type=float, default=0.7) ap.add_argument("--finish_with_kmeans", action="store_true") ap.add_argument("--iters", type=int, default=30) ap.add_argument("--seed", type=int, default=0) args = ap.parse_args() data, _ = load_cora(normalize=True) N = data.num_nodes cluster_id = read_seed_json(args.seeds_json, N) if (cluster_id < 0).any(): print("[warn] Some nodes uncovered by seeds. Assigning temporary singletons.") cluster_id = fix_uncovered_nodes(cluster_id) print("== BEFORE ==") print(cluster_size_stats(cluster_id)) print(f"Majority-vote UB (before) = {majority_vote_upper_bound(cluster_id, data.y):.3f}") # Stage 1 cluster_id = graph_aware_merge(data, cluster_id, min_size=args.min_size, lambda_conn=args.lambda_conn, max_iters=8) print("\n== AFTER GRAPH-AWARE MERGE ==") print(cluster_size_stats(cluster_id)) print(f"Majority-vote UB (stage1) = {majority_vote_upper_bound(cluster_id, data.y):.3f}") # Target K target_K = None if args.target_k is not None: target_K = int(args.target_k) elif args.k_ratio is not None: target_K = int(args.k_ratio * N + 0.999) # Stage 2 if target_K is not None: K_current = int(cluster_id.max().item() + 1) if target_K < K_current and args.finish_with_kmeans: X = data.x.to(torch.float) protos, sizes = prototypes_from_partition(X, cluster_id) assign = weighted_kmeans(protos, sizes.clamp_min(1), target_K, iters=args.iters, seed=args.seed) cluster_id = assign[cluster_id] print("\n== AFTER K-MEANS FINISH ==") print(cluster_size_stats(cluster_id)) print(f"Majority-vote UB (final) = {majority_vote_upper_bound(cluster_id, data.y):.3f}") else: print("\n[info] Skipping k-means finish (either K already <= target or --finish_with_kmeans not set).") # Write JSON K_final = int(cluster_id.max().item() + 1) clusters: List[Dict] = [] for k in range(K_final): seed_nodes = torch.nonzero(cluster_id == k, as_tuple=False).view(-1).tolist() clusters.append({"cluster_id": int(k), "seed_nodes": seed_nodes}) out = {"clusters": clusters} Path(args.out_json).write_text(json.dumps(out)) print(f"\nWrote coarsened seeds to {args.out_json}") if __name__ == "__main__": main()