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path: root/experiments/run_grad_reach_20seeds.py
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#!/usr/bin/env python3
"""Gradient reach with 20 seeds (0-19) for statistical significance.

Extends 5-seed results. Loads existing seeds 0-4 data if available,
runs seeds 5-19, then combines for final statistics.
"""

import torch
import torch.nn.functional as F
import numpy as np
import json
import os
from scipy import stats as scipy_stats
from src.data import load_dataset, spmm
from src.trainers import BPTrainer, GraphGrAPETrainer

device = 'cuda:0'
ALL_SEEDS = list(range(20))
EPOCHS = 100
OUT_DIR = 'results/gradient_reach_20seeds'
OLD_FILE = 'results/gradient_reach_5seeds/results.json'


def measure_one(data, L, backbone, seed):
    A = data['A_hat']
    common = dict(data=data, hidden_dim=64, lr=0.01, weight_decay=5e-4,
                  num_layers=L, residual_alpha=0.0, backbone=backbone)
    grape_extra = dict(diffusion_alpha=0.5, diffusion_iters=10,
                       lr_feedback=0.5, num_probes=64, topo_mode='fixed_A')

    torch.manual_seed(seed); np.random.seed(seed); torch.cuda.manual_seed_all(seed)
    bp = BPTrainer(**common)
    torch.manual_seed(seed); np.random.seed(seed); torch.cuda.manual_seed_all(seed)
    gr = GraphGrAPETrainer(**common, **grape_extra)
    gr.align_mode = 'chain_norm'

    for _ in range(EPOCHS):
        bp.train_step()
        gr.train_step()

    # BP gradients
    bp.optimizer.zero_grad()
    Z_bp, _ = bp.forward()
    mask = data['train_mask']
    loss = F.cross_entropy(Z_bp[mask], data['y'][mask])
    loss.backward()
    bp_norms = [bp.weights[l].grad.norm().item() for l in range(L)]

    # GRAFT feedback norms
    Z_gr, inter = gr.forward()
    E0, E_bar = gr._output_error(Z_gr)
    graft_norms = []
    for l in range(L - 1):
        power = min(L - l, gr.max_topo_power)
        topo_E = E_bar
        for _ in range(power):
            topo_E = spmm(A, topo_E)
        fb = topo_E @ gr.Rs[l]
        relu_gate = (inter['Zs'][l].detach() > 0).float()
        graft_norms.append((relu_gate * fb).norm().item())

    bp_acc = bp.evaluate('test_mask')
    gr_acc = gr.evaluate('test_mask')

    del bp, gr; torch.cuda.empty_cache()
    return bp_norms, graft_norms, bp_acc, gr_acc


def main():
    os.makedirs(OUT_DIR, exist_ok=True)
    data = load_dataset('Cora', device=device)

    # Load existing per-seed data if available
    old_per_seed_file = os.path.join(OUT_DIR, 'per_seed_data.json')
    if os.path.exists(old_per_seed_file):
        with open(old_per_seed_file) as f:
            per_seed_data = json.load(f)
        print(f"Loaded existing per-seed data from {old_per_seed_file}")
    else:
        per_seed_data = {}

    configs = [
        ('gcn', 6),
        ('gcn', 10),
        ('appnp', 6),
        ('appnp', 10),
    ]

    for backbone, L in configs:
        key = f"{backbone}_L{L}"
        print(f"\n=== {backbone.upper()} L={L} (20 seeds) ===", flush=True)

        if key not in per_seed_data:
            per_seed_data[key] = {}

        for seed in ALL_SEEDS:
            seed_key = str(seed)
            if seed_key in per_seed_data[key]:
                print(f"  seed {seed}: already done, skipping", flush=True)
                continue

            bn, gn, ba, ga = measure_one(data, L, backbone, seed)
            per_seed_data[key][seed_key] = {
                'bp_norms': bn, 'graft_norms': gn,
                'bp_acc': ba, 'gr_acc': ga
            }
            print(f"  seed {seed}: BP {ba*100:.1f}% GRAFT {ga*100:.1f}%", flush=True)

            # Save incrementally
            with open(old_per_seed_file, 'w') as f:
                json.dump(per_seed_data, f, indent=2)

    # Aggregate results
    results = {}
    for backbone, L in configs:
        key = f"{backbone}_L{L}"
        sd = per_seed_data[key]

        bp_accs = np.array([sd[str(s)]['bp_acc'] for s in ALL_SEEDS]) * 100
        gr_accs = np.array([sd[str(s)]['gr_acc'] for s in ALL_SEEDS]) * 100
        t_stat, p_val = scipy_stats.ttest_rel(gr_accs, bp_accs)

        avg_bp_norms = np.mean([sd[str(s)]['bp_norms'] for s in ALL_SEEDS], axis=0)
        avg_gr_norms = np.mean([sd[str(s)]['graft_norms'] for s in ALL_SEEDS], axis=0)

        results[key] = {
            'bp_acc_mean': float(bp_accs.mean()),
            'bp_acc_std': float(bp_accs.std()),
            'gr_acc_mean': float(gr_accs.mean()),
            'gr_acc_std': float(gr_accs.std()),
            'delta_mean': float((gr_accs - bp_accs).mean()),
            'delta_std': float((gr_accs - bp_accs).std()),
            't_stat': float(t_stat),
            'p_value': float(p_val),
            'n_seeds': 20,
            'avg_bp_norms': avg_bp_norms.tolist(),
            'avg_gr_norms': avg_gr_norms.tolist(),
            'bp_accs': bp_accs.tolist(),
            'gr_accs': gr_accs.tolist(),
        }

        sig = '***' if p_val < 0.001 else ('**' if p_val < 0.01 else ('*' if p_val < 0.05 else 'ns'))
        print(f"\n  {key}:")
        print(f"    BP:    {bp_accs.mean():.1f} ± {bp_accs.std():.1f}%")
        print(f"    GRAFT: {gr_accs.mean():.1f} ± {gr_accs.std():.1f}%")
        print(f"    Δ:     {(gr_accs-bp_accs).mean():+.1f} ± {(gr_accs-bp_accs).std():.1f}%  t={t_stat:.2f}  p={p_val:.4f} {sig}")
        print(f"    BP norm L0: {avg_bp_norms[0]:.6f}")
        print(f"    GRAFT norm L0: {avg_gr_norms[0]:.4f}")

    with open(os.path.join(OUT_DIR, 'results.json'), 'w') as f:
        json.dump(results, f, indent=2)
    print(f"\nSaved to {OUT_DIR}/results.json")


if __name__ == '__main__':
    main()