r"""train.py — SSL masked-reconstruction pretrain, then supervised Student-t fine-tune on TRAIN-fold labeled cells (spatial split). Run on GPU VM. Usage: python data\models\train.py --tensors data\tensors --epochs 30 """ from __future__ import annotations import os, sys, argparse, pathlib import numpy as np, torch sys.path.insert(0, str(pathlib.Path(__file__).resolve().parent)) from model import AtmosIQNet, student_t_nll, ssl_masked_mse from dataset import AtmosIQData, ssl_corrupt def run(): ap = argparse.ArgumentParser() ap.add_argument("--tensors", default="data/tensors") ap.add_argument("--window", type=int, default=7) ap.add_argument("--ssl_epochs", type=int, default=10) ap.add_argument("--epochs", type=int, default=30) ap.add_argument("--lr", type=float, default=1e-3) a = ap.parse_args() dev = "cuda" if torch.cuda.is_available() else "cpu" print("device:", dev) data = AtmosIQData(a.tensors, window=a.window, device=dev) net = AtmosIQNet(data.F).to(dev) ei, e_hat, n_hat = data.edges() opt = torch.optim.AdamW(net.parameters(), lr=a.lr, weight_decay=1e-4) # ---- SSL pretrain (all nodes, masked reconstruction) ---- all_days = list(range(a.window-1, data.D)) for ep in range(a.ssl_epochs): net.train(); np.random.shuffle(all_days); tot = 0 for t in all_days: b = data.window(t); Xc, fm = ssl_corrupt(b["X"]) out = net(Xc, ei, e_hat, n_hat, b["wu"], b["wv"], b["blh"]) loss = ssl_masked_mse(out["recon"], b["X"][-1], fm) opt.zero_grad(); loss.backward(); opt.step(); tot += loss.item() print(f"[SSL {ep+1}/{a.ssl_epochs}] recon_mse={tot/len(all_days):.4f}") # ---- supervised fine-tune (Student-t NLL on TRAIN-fold labeled cells) ---- tr_days = data.target_days(fold=0); va_days = data.target_days(fold=1) tr_nodes = (data.split == 0).float().unsqueeze(-1) va_nodes = (data.split == 1).float().unsqueeze(-1) best = 1e9 for ep in range(a.epochs): net.train(); np.random.shuffle(tr_days); tot = 0 for t in tr_days: b = data.window(t) out = net(b["X"], ei, e_hat, n_hat, b["wu"], b["wv"], b["blh"]) nll = student_t_nll(out["loc"], out["log_scale"], out["log_df"], b["y"], b["m"]*tr_nodes) opt.zero_grad(); nll.backward(); opt.step(); tot += nll.item() # val net.eval(); vtot = 0 with torch.no_grad(): for t in va_days: b = data.window(t) out = net(b["X"], ei, e_hat, n_hat, b["wu"], b["wv"], b["blh"]) vtot += student_t_nll(out["loc"], out["log_scale"], out["log_df"], b["y"], b["m"]*va_nodes).item() vmean = vtot/max(len(va_days),1) print(f"[FT {ep+1}/{a.epochs}] train_nll={tot/len(tr_days):.3f} val_nll={vmean:.3f}") if vmean < best: best = vmean; torch.save(net.state_dict(), pathlib.Path(a.tensors).parent/"atmosiq_best.pt") print(f"done. best val_nll={best:.3f} -> atmosiq_best.pt") if __name__ == "__main__": run()