#!/usr/bin/env python3 """Clasificadores base para comparar con PI-HGAT-T. Incluye: - reglas deterministas (oracle de la especificación) - regresión logística sobre features one-hot de fase+posición - MLP sin estructura de grafo """ from __future__ import annotations import csv import json import random from pathlib import Path import numpy as np import torch from torch import nn from torch.nn import functional as F ROOT = Path(__file__).resolve().parents[2] CLASSES = ("none", "mirrorOf", "creates") CLASS_ID = {n: i for i, n in enumerate(CLASSES)} def seed_everything(seed: int = 20261008) -> None: random.seed(seed) np.random.seed(seed) torch.manual_seed(seed) torch.use_deterministic_algorithms(True) torch.set_num_threads(1) def features_for_node(node_id: str) -> list[float]: parts = node_id.split("_") phase, position = parts[1], int(parts[2][1:]) return [float(phase == "adv"), float(phase == "ret"), float(position == 0), float(position == 1), float(position == 2)] def parse_pair_index(node_id: str) -> int: phase = node_id.split("_")[1] position = int(node_id.split("_")[2][1:]) return position if phase == "adv" else 3 + position def read_pairs(): pairs: dict[int, list[tuple[str, str, int]]] = {i: [] for i in range(1, 14)} with (ROOT / "datasets" / "relation_candidates.csv").open(encoding="utf-8", newline="") as fh: for row in csv.DictReader(fh): pairs[int(row["triad_index"])].append( (row["source"], row["target"], CLASS_ID[row["relation"]]) ) return pairs def admissible(label: str, source: int, target: int) -> bool: source_phase, source_pos = (0 if source < 3 else 1), source % 3 target_phase, target_pos = (0 if target < 3 else 1), target % 3 if source_phase == target_phase: return False if label == "mirrorOf": return target_pos == 2 - source_pos if label == "creates": return (source_pos in (0, 2) and target_pos == 1) or (source_pos == 1 and target_pos in (0, 2)) return True def deterministic_rule_predict(src_idx: int, tgt_idx: int) -> int: if admissible("mirrorOf", src_idx, tgt_idx): return CLASS_ID["mirrorOf"] if admissible("creates", src_idx, tgt_idx): return CLASS_ID["creates"] return CLASS_ID["none"] def pair_feature(src_id: str, tgt_id: str) -> list[float]: return features_for_node(src_id) + features_for_node(tgt_id) def scores(gold: list[int], pred: list[int]) -> dict: matrix = [[0] * 3 for _ in range(3)] for a, b in zip(gold, pred): matrix[a][b] += 1 per_class = {} f1s = [] for i, name in enumerate(CLASSES): tp = matrix[i][i] fp = sum(matrix[r][i] for r in range(3) if r != i) fn = sum(matrix[i][c] for c in range(3) if c != i) prec = tp / (tp + fp) if tp + fp else 0.0 rec = tp / (tp + fn) if tp + fn else 0.0 f1 = 2 * prec * rec / (prec + rec) if prec + rec else 0.0 per_class[name] = {"precision": prec, "recall": rec, "f1": f1, "support": tp + fn} f1s.append(f1) acc = sum(a == b for a, b in zip(gold, pred)) / max(len(gold), 1) return { "accuracy": round(acc, 6), "macro_f1": round(sum(f1s) / 3, 6), "per_class": per_class, "confusion_matrix": matrix, } class SoftmaxRegression(nn.Module): def __init__(self, in_dim: int, n_classes: int = 3): super().__init__() self.linear = nn.Linear(in_dim, n_classes) def forward(self, x): return self.linear(x) class SimpleMLP(nn.Module): def __init__(self, in_dim: int, hidden: int = 32, n_classes: int = 3): super().__init__() self.net = nn.Sequential( nn.Linear(in_dim, hidden), nn.GELU(), nn.Linear(hidden, hidden), nn.GELU(), nn.Linear(hidden, n_classes), ) def forward(self, x): return self.net(x) def train_sklearn_like(model: nn.Module, X: torch.Tensor, y: torch.Tensor, epochs: int = 200, lr: float = 0.01) -> None: opt = torch.optim.AdamW(model.parameters(), lr=lr, weight_decay=1e-4) for _ in range(epochs): opt.zero_grad() logits = model(X) loss = F.cross_entropy(logits, y) loss.backward() opt.step() def leave_one_triad_out(pairs: dict, model_factory, epochs: int = 200) -> dict: all_gold, all_pred = [], [] fold_accs = [] for held in sorted(pairs): seed_everything(20261008 + held - 1) train_X, train_y = [], [] test_X, test_y, test_meta = [], [], [] for tid, plist in pairs.items(): for src, tgt, label in plist: feat = pair_feature(src, tgt) if tid == held: test_X.append(feat) test_y.append(label) test_meta.append((src, tgt)) else: train_X.append(feat) train_y.append(label) Xtr = torch.tensor(train_X, dtype=torch.float32) ytr = torch.tensor(train_y, dtype=torch.long) Xte = torch.tensor(test_X, dtype=torch.float32) model = model_factory(Xtr.shape[1]) train_sklearn_like(model, Xtr, ytr, epochs=epochs) with torch.no_grad(): pred = model(Xte).argmax(dim=-1).tolist() all_gold.extend(test_y) all_pred.extend(pred) fold_accs.append(sum(a == b for a, b in zip(test_y, pred)) / max(len(test_y), 1)) result = scores(all_gold, all_pred) result["fold_accuracies"] = fold_accs result["fold_accuracy_mean"] = round(float(np.mean(fold_accs)), 6) result["fold_accuracy_std"] = round(float(np.std(fold_accs)), 6) return result def run_deterministic(pairs: dict) -> dict: gold, pred = [], [] for plist in pairs.values(): for src, tgt, label in plist: gold.append(label) s_idx = parse_pair_index(src) t_idx = parse_pair_index(tgt) pred.append(deterministic_rule_predict(s_idx, t_idx)) return scores(gold, pred) def run() -> dict: seed_everything() pairs = read_pairs() report = { "description": "Comparación de PI-HGAT-T con clasificadores base sobre el mismo leave-one-triad-out", "baselines": {}, } report["baselines"]["deterministic_rules"] = { "description": "Oracle que aplica exactamente las reglas SHACL de mirrorOf/creates", "metrics": run_deterministic(pairs), } report["baselines"]["logistic_regression"] = { "description": "Softmax linear sobre concatenación de one-hot fase+posición (10 dim)", "metrics": leave_one_triad_out(pairs, lambda d: SoftmaxRegression(d), epochs=300), } report["baselines"]["mlp_no_graph"] = { "description": "MLP de dos capas ocultas sin mensaje-passing ni atención", "metrics": leave_one_triad_out(pairs, lambda d: SimpleMLP(d, hidden=32), epochs=200), } out = ROOT / "experiments" / "results" / "baselines_comparison.json" out.parent.mkdir(parents=True, exist_ok=True) out.write_text(json.dumps(report, ensure_ascii=False, indent=2) + "\n", encoding="utf-8") print("Baselines escritos en", out) for name, block in report["baselines"].items(): m = block["metrics"] print(f" {name}: accuracy={m['accuracy']:.4f} macro_f1={m['macro_f1']:.4f}") return report if __name__ == "__main__": run()