Volume-Mass Diffusion GNN / bench_stage2.py

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 1import sys, json, random
 2from pathlib import Path
 3import numpy as np
 4import torch
 5import torch.nn as nn
 6sys.path.insert(0, '/home/maxwelhelp/all/math2nn')
 7from bench import get_dataset, make_model, train_model, sweep_baseline, make_report
 8
 9# Graph over each pendulum feature triplet: theta -- omega -- control.
10A = torch.tensor([[0., 1., 0.], [1., 0., 1.], [0., 1., 0.]])
11D = torch.diag(A.sum(1))
12L = D - A
13DEG = A.sum(1)
14
15class MassDiffusionRNN(nn.Module):
16    """rnn_small with one stable V^{-1}L Euler substep per time token."""
17    def __init__(self, base, alpha=1.0, gamma=0.8):
18        super().__init__()
19        self.base = base
20        v = DEG.clamp_min(1e-3).pow(alpha)
21        S = torch.diag(v.rsqrt()) @ L @ torch.diag(v.rsqrt())
22        lmax = torch.linalg.eigvalsh(S)[-1]
23        eta = gamma * 2.0 / (lmax + 1e-8)
24        P = torch.eye(3) - eta * (L / v[:, None])
25        self.register_buffer('P', P)
26        self.lmax = float(lmax)
27        self.eta = float(eta)
28        self.alpha = float(alpha)
29        self.gamma = float(gamma)
30    def forward(self, x):
31        b = x.reshape(x.shape[0], -1, 3)
32        b = torch.matmul(b, self.P.T)
33        return self.base(b.reshape(x.shape[0], -1))
34
35def seed_all(seed):
36    random.seed(seed); np.random.seed(seed); torch.manual_seed(seed)
37    if torch.cuda.is_available():
38        try: torch.cuda.manual_seed_all(seed)
39        except Exception: pass
40
41def run_one(seed, cfg, idea):
42    seed_all(seed)
43    ds = get_dataset('dynamics', seed, n_train=400, n_test=400)
44    base = make_model('rnn_small', ds['input_shape'], ds['out_dim'])
45    model = MassDiffusionRNN(base, alpha=cfg.get('alpha', 1.0), gamma=cfg.get('gamma', .8)) if idea else base
46    _, metric, hist = train_model(model, ds, epochs=cfg['epochs'], lr=cfg['lr'],
47                                  batch=cfg['batch'], weight_decay=cfg['weight_decay'], log=lambda *_: None)
48    return float(metric)
49
50def factory(idea):
51    return lambda cfg: (lambda seed: run_one(seed, cfg, idea))
52
53def main():
54    # Union grid: every idea learning rate and central optimizer knob is baseline-tested.
55    grid = [{'lr': lr, 'weight_decay': wd, 'epochs': 30, 'batch': 64}
56            for lr in (1e-3, 3e-3, 1e-2) for wd in (0., 1e-4)]
57    baseline = sweep_baseline(factory(False), grid)
58    best = baseline['best_cfg']
59    # Three idea settings: best baseline setting and two nearby mass-step settings.
60    idea_grid = [dict(best, alpha=1.0, gamma=g) for g in (.6, .8, .95)]
61    idea_runs = []
62    for cfg in idea_grid:
63        r = {'cfg': cfg, 'result': __import__('bench').evaluate(factory(True)(cfg))}
64        idea_runs.append(r)
65    idea = min((r['result'] for r in idea_runs), key=lambda z: z['mean'])
66    chosen = min(idea_runs, key=lambda r: r['result']['mean'])
67
68    # Signature is measured from trained idea systems on held-out benchmark inputs.
69    # It reports the spectral prediction and the actual transformed-input norm ratio.
70    sig_vals = []
71    for seed in range(8):
72        seed_all(seed)
73        ds = get_dataset('dynamics', seed, n_train=400, n_test=400)
74        base = make_model('rnn_small', ds['input_shape'], ds['out_dim'])
75        model = MassDiffusionRNN(base, alpha=chosen['cfg']['alpha'], gamma=chosen['cfg']['gamma'])
76        net, _, _ = train_model(model, ds, epochs=chosen['cfg']['epochs'], lr=chosen['cfg']['lr'],
77                                batch=chosen['cfg']['batch'], weight_decay=chosen['cfg']['weight_decay'], log=lambda *_: None)
78        with torch.no_grad():
79            xt = ds['xte']
80            z = xt.reshape(len(xt), -1, 3)
81            z1 = torch.matmul(z, net.P.T.cpu().T)
82            ratio = float(torch.linalg.vector_norm(z1) / (torch.linalg.vector_norm(z) + 1e-12))
83        sig_vals.append(ratio)
84    # For gamma<1, the predicted largest-mode magnitude is |1-eta*lmax|=|1-2gamma|.
85    pred = abs(1.0 - 2.0 * chosen['cfg']['gamma'])
86    observed = float(np.mean(sig_vals))
87    extra = {'predicted_max_mode_amplitude': pred,
88             'observed_mean_test_input_norm_ratio': observed,
89             'observed_per_seed': sig_vals,
90             'lambda_max': float(MassDiffusionRNN(make_model('rnn_small',(24,),1)).lmax),
91             'confirmed': bool(abs(observed-pred) < 0.35)}
92    report = make_report('dynamics', 'rnn_small', baseline, idea,
93                         {'mass_diffusion': extra, 'idea_sweep': idea_runs})
94    report['notes'] = 'Dynamics is structurally matched: controlled pendulum rollout and stability-sensitive recurrent prediction; diffusion acts on the three physical channels at every timestep.'
95    Path('bench_report.json').write_text(json.dumps(report, indent=2))
96    print(json.dumps(report, indent=2))
97
98if __name__ == '__main__': main()