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Diffstat (limited to 'diag/lyap.py')
| -rw-r--r-- | diag/lyap.py | 83 |
1 files changed, 83 insertions, 0 deletions
diff --git a/diag/lyap.py b/diag/lyap.py new file mode 100644 index 0000000..93b90bf --- /dev/null +++ b/diag/lyap.py @@ -0,0 +1,83 @@ +"""LE diagnostic for the recursive (TRM-ish) GNN — ports the flossing finding to graphs. + +Per-graph top Lyapunov exponent lambda1 of the recursion z <- block(z+h0), 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_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']).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) + h0 = model.emb(x).detach() + z = torch.zeros_like(h0) + v = torch.randn(h0.shape, generator=g, device=dev); v = v / (v.norm() + 1e-12) + def step_fn(zz): + return model.block(zz + h0, ei) + 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')) + print(f"[{cfg['grad_mode']}] n={len(lams)} fail_rate={fails.mean():.2f} | " + f"lambda1 SUCC mean {s.mean():+.4f} std {s.std():.4f} (n={len(s)}) | " + f"FAIL mean {f.mean():+.4f} std {f.std():.4f} (n={len(f)}) | " + f"sep(fail-succ)={f.mean()-s.mean() if len(s) and len(f) else float('nan'):+.4f} | " + f"AUROC(fail|lambda1)={auc:.3f} | mean_lambda1={lams.mean():+.4f}") + + +if __name__ == "__main__": + main() |
