"""LE diagnostic for the recursive (TRM-ish) GNN — ports the flossing finding to graphs. Per-graph top Lyapunov exponent lambda1 of the edge-free recursion z <- block(z, ctx), via Benettin power-iteration on a single tangent vector (JVP + renormalize, accumulate log-growth) over the model's n_sup*T recursion steps. Bucket graphs by success/failure (rounded ring counts exact) and compare lambda1 distributions + AUROC(fail | lambda1) — mirroring plot_trm_lyap_hist.py. Hypothesis: failed graphs are MORE chaotic (higher lambda1). Run: PYTHONPATH=/home/yurenh2/rrog python3 diag/lyap.py --ckpt runs/ckpt_rec_rrog_full_..._s0.pt """ import argparse import numpy as np import torch from diag.train_rec import RecGIN from diag.train_cycle import prepare try: from sklearn.metrics import roc_auc_score except Exception: roc_auc_score = None def build(ck, dev): c = ck['cfg'] m = RecGIN(c['n_atom'], c['hidden'], c['T'], c['n_sup'], 0.0, grad_mode=c['grad_mode'], agg_layers=c.get('agg_layers', 1), compute_layers=c.get('compute_layers', 2)).to(dev) m.load_state_dict(ck['state']); m.eval() return m, c def lyap1(model, x, ei, n_steps, dev, seed=0): g = torch.Generator(device=dev).manual_seed(seed) ctx = model.aggregate(x, ei).detach() z = ctx.detach() v = torch.randn(ctx.shape, generator=g, device=dev); v = v / (v.norm() + 1e-12) def step_fn(zz): return model.block(zz, ctx) lam = 0.0 for _ in range(n_steps): z_next, Jv = torch.autograd.functional.jvp(step_fn, z, v) z = z_next.detach() nv = Jv.norm() lam += torch.log(nv + 1e-12).item() v = (Jv / (nv + 1e-12)).detach() return lam / n_steps @torch.no_grad() def predict(model, x, ei, dev): batch = torch.zeros(x.size(0), dtype=torch.long, device=dev) preds, _ = model(x, ei, batch, noise=False) return preds[-1].view(-1) def main(): ap = argparse.ArgumentParser() ap.add_argument('--ckpt', required=True) ap.add_argument('--n_graphs', type=int, default=300) args = ap.parse_args() dev = 'cuda' if torch.cuda.is_available() else 'cpu' ck = torch.load(args.ckpt, weights_only=False) model, cfg = build(ck, dev) ymu, ysd = ck['ymu'].to(dev), ck['ysd'].to(dev) te = prepare('test') n_steps = cfg['n_sup'] * cfg['T'] lams, fails = [], [] for i, r in enumerate(te[:args.n_graphs]): x = r['x'].to(dev); ei = r['edge_index'].to(dev) p = predict(model, x, ei, dev) * ysd + ymu # raw [2] y = r['y'].to(dev) # raw [2] fails.append(int(not torch.all(p.round() == y.round()).item())) lams.append(lyap1(model, x, ei, n_steps, dev, seed=i)) lams, fails = np.array(lams), np.array(fails) s, f = lams[fails == 0], lams[fails == 1] auc = (roc_auc_score(fails, lams) if roc_auc_score and len(s) and len(f) else float('nan')) sm, ss = (s.mean(), s.std()) if len(s) else (float('nan'), float('nan')) fm, fs = (f.mean(), f.std()) if len(f) else (float('nan'), float('nan')) sep = fm - sm if len(s) and len(f) else float('nan') print(f"[{cfg['grad_mode']}] n={len(lams)} fail_rate={fails.mean():.2f} | " f"lambda1 SUCC mean {sm:+.4f} std {ss:.4f} (n={len(s)}) | " f"FAIL mean {fm:+.4f} std {fs:.4f} (n={len(f)}) | " f"sep(fail-succ)={sep:+.4f} | " f"AUROC(fail|lambda1)={auc:.3f} | mean_lambda1={lams.mean():+.4f}") if __name__ == "__main__": main()