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| r""" | |
| model.py — AtmosIQ V1, faithful to MODEL_BLUEPRINT v1.1 + Architecture v1.1 FROZEN. | |
| Custom modules: PhysicsBiasedGAT (ADR-014 Am.1 + ADR-019), LogStudentTHead (ADR-015). | |
| No torch_scatter / PyG (pin 4b: hand-rolled segment softmax IS the spec). | |
| Feature contract (F_total=54, four groups, NEVER merged pre-embed): | |
| A satellite 18 -> 32 B meteorology 12 -> 24 C static 13 -> 16 D calendar 11 -> 16 | |
| fusion Linear(88 -> 96). Per-group [MASK] tokens (SSL + cloud-blindness). | |
| Encoder: spatial PhysicsBiasedGAT xL=2 BEFORE temporal Transformer (T=7), last-step pool. | |
| Head input = [N, 96+1] (window-completeness scalar). Output [N, horizons=4, P=7, 3]. | |
| SSL recon reads PRE-POOL [N,T,96] per timestep -> 29 continuous channels (discarded after pretrain). | |
| """ | |
| from __future__ import annotations | |
| import torch, torch.nn as nn, torch.nn.functional as F | |
| # ------------------------------------------------------------------ physics bias | |
| def phys_log_bias(w_u1330, w_v1330, blh, src, e_hat, n_hat, eps=1e-4, f_min=0.05): | |
| """Architecture v1.5: g_ij = relu(w_i,1330 . u_hat_ij) * f(BLH), f in (f_min,1]. | |
| sigma(lambda)=0 baseline -> returns log(g_ij + eps) exactly (ADR-014 Am.1).""" | |
| w_along = w_u1330[src]*e_hat + w_v1330[src]*n_hat # directed: e_ij != e_ji | |
| f = f_min + (1.0 - f_min)*torch.sigmoid((blh[src]-500.0)/500.0) # strictly in (f_min,1] | |
| g = F.relu(w_along) * f | |
| return torch.log(g + eps) | |
| # ------------------------------------------------------------- PhysicsBiasedGAT (BLUEPRINT §4 verbatim) | |
| class PhysicsBiasedGAT(nn.Module): | |
| def __init__(self, d_model, n_heads): | |
| super().__init__() | |
| self.h, self.dh = n_heads, d_model // n_heads | |
| self.W = nn.Linear(d_model, d_model, bias=False) | |
| self.a_src = nn.Parameter(torch.empty(n_heads, self.dh)) | |
| self.a_dst = nn.Parameter(torch.empty(n_heads, self.dh)) | |
| self.self_bias = nn.Parameter(torch.zeros(n_heads)) # learned per-head self term | |
| self.out = nn.Linear(d_model, d_model) | |
| nn.init.xavier_uniform_(self.a_src); nn.init.xavier_uniform_(self.a_dst) | |
| def forward(self, x, edge_index, phys_log_bias, return_attn=False): | |
| N = x.size(0) | |
| Wx = self.W(x).view(N, self.h, self.dh) | |
| src, dst = edge_index[0], edge_index[1] | |
| e = (Wx[src]*self.a_src).sum(-1) + (Wx[dst]*self.a_dst).sum(-1) | |
| e = F.leaky_relu(e, 0.2) + phys_log_bias.unsqueeze(-1) # [E,h] | |
| e_self = F.leaky_relu((Wx*self.a_src).sum(-1) + (Wx*self.a_dst).sum(-1), 0.2) | |
| e_self = e_self + self.self_bias # [N,h] learned self term | |
| m = e_self.clone() | |
| m = m.index_reduce_(0, dst, e, reduce="amax", include_self=True) | |
| ex = torch.exp(e - m[dst]); ex_self = torch.exp(e_self - m) | |
| denom = ex_self.clone(); denom.index_add_(0, dst, ex) | |
| alpha = ex / denom[dst]; alpha_self = ex_self / denom | |
| out = alpha_self.unsqueeze(-1) * Wx | |
| out.index_add_(0, dst, alpha.unsqueeze(-1) * Wx[src]) | |
| out = self.out(out.reshape(N, self.h*self.dh)) | |
| if return_attn: | |
| return out, {"alpha_self": alpha_self, "alpha_edge": alpha, "edge_index": edge_index} | |
| return out | |
| # ------------------------------------------------------------- group assembly + [MASK] | |
| class GroupAssembler(nn.Module): | |
| """Four sub-embedders + categorical embeddings (land_use->4, grap->3) -> fusion. | |
| Per-group learned [MASK] tokens (SSL + cloud-blindness).""" | |
| def __init__(self, dims, sub, cat, d_model): | |
| super().__init__() | |
| self.sub = sub | |
| self.emb_sat = nn.Linear(dims["satellite"], sub["satellite"]) | |
| self.emb_met = nn.Linear(dims["meteorology"], sub["meteorology"]) | |
| self.emb_static = nn.Linear(dims["static"], sub["static"]) # 13 = 9 numeric + 4 landuse-emb | |
| self.emb_cal = nn.Linear(dims["calendar"], sub["calendar"]) # 11 = 8 numeric + 3 grap-emb | |
| self.landuse = nn.Embedding(cat.get("n_landuse",11), cat.get("land_use_class",4)) | |
| self.grap = nn.Embedding(cat.get("n_grap",5), cat.get("grap_stage",3)) | |
| self.fusion = nn.Linear(sum(sub.values()), d_model) | |
| self.mask_tok = nn.ParameterDict({g: nn.Parameter(torch.zeros(sub[g])) | |
| for g in ["satellite","meteorology","static","calendar"]}) | |
| def forward(self, g, group_mask=None): | |
| """g keys: satellite[N,18], meteorology[N,12], static_num[N,9], landuse[N] long, | |
| calendar_num[N,8], grap[N] long. group_mask: dict grp->[N] (1=mask).""" | |
| static = torch.cat([g["static_num"], self.landuse(g["landuse"])], -1) # [N,13] | |
| cal = torch.cat([g["calendar_num"], self.grap(g["grap"])], -1) # [N,11] | |
| h = {"satellite": self.emb_sat(g["satellite"]), "meteorology": self.emb_met(g["meteorology"]), | |
| "static": self.emb_static(static), "calendar": self.emb_cal(cal)} | |
| if group_mask is not None: | |
| for grp in h: | |
| if grp in group_mask: | |
| mk = group_mask[grp].unsqueeze(-1).float() | |
| mk = mk.to(h[grp].device) | |
| h[grp] = h[grp]*(1-mk) + self.mask_tok[grp].unsqueeze(0)*mk | |
| return self.fusion(torch.cat([h["satellite"],h["meteorology"],h["static"],h["calendar"]], -1)) | |
| # ------------------------------------------------------------- temporal | |
| class TemporalEncoder(nn.Module): | |
| def __init__(self, d_model, n_heads, ff, layers, T=7): | |
| super().__init__() | |
| enc = nn.TransformerEncoderLayer(d_model, n_heads, ff, batch_first=True, dropout=0.1) | |
| self.tr = nn.TransformerEncoder(enc, layers) | |
| self.slot = nn.Parameter(torch.randn(1, T, d_model)*0.02) # learned slot positions | |
| def forward(self, H): # H:[N,T,d] | |
| return self.tr(H + self.slot[:, :H.size(1)]) # returns [N,T,d] (pre-pool) | |
| # ------------------------------------------------------------- heads | |
| class LogStudentTHead(nn.Module): # ADR-015 | |
| def __init__(self, d_model, horizons=4, P=7): | |
| super().__init__() | |
| self.H, self.P = horizons, P | |
| self.trunk = nn.Linear(d_model+1, d_model) # +1 window-completeness scalar | |
| self.mu = nn.Linear(d_model, horizons*P) | |
| self.log_sigma = nn.Linear(d_model, horizons*P) | |
| self.log_nu = nn.Parameter(torch.zeros(P)) # nu per pollutant | |
| def forward(self, z, completeness): | |
| h = F.gelu(self.trunk(torch.cat([z, completeness.unsqueeze(-1)], -1))) | |
| N = z.size(0) | |
| mu = self.mu(h).view(N, self.H, self.P) | |
| log_sigma = self.log_sigma(h).view(N, self.H, self.P).clamp(-7.0, 7.0) # bound sigma in (~1e-3, ~1e3): kills backward blow-up | |
| nu = (F.softplus(self.log_nu) + 2.0).clamp(max=100.0) # >2 finite variance, capped | |
| return mu, log_sigma, nu | |
| class ReconHead(nn.Module): # SSL, pre-pool per-timestep | |
| def __init__(self, d_model, n_cont=29): | |
| super().__init__(); self.lin = nn.Linear(d_model, n_cont) | |
| def forward(self, h_seq): return self.lin(h_seq) # [N,T,29] | |
| # ------------------------------------------------------------- full model | |
| class AtmosIQNet(nn.Module): | |
| def __init__(self, cfg=None): | |
| super().__init__() | |
| cfg = cfg or {} | |
| d = cfg.get("d_model",96); heads = cfg.get("n_heads",4); ff = cfg.get("ff_dim",384) | |
| L = cfg.get("n_blocks_L",2); T = cfg.get("seq_len_T",7) | |
| cat = cfg.get("categorical", {"land_use_class":4,"grap_stage":3,"n_landuse":18,"n_grap":5}) | |
| cal_num = cfg.get("calendar_num_dim", 16) # Group D numeric width (from meta.json) | |
| dims = cfg.get("feature_group_dims", {"satellite":18,"meteorology":12,"static":13, | |
| "calendar": cal_num + cat.get("grap_stage",3)}) | |
| sub = cfg.get("sub_embed_dims", {"satellite":32,"meteorology":24,"static":16,"calendar":16}) | |
| P = len(cfg.get("pollutants", ["pm2_5","pm10","no2","so2","co","o3","nh3"])) | |
| horizons = len(cfg.get("horizons",[0,1,2,3])) | |
| self.assemble = GroupAssembler(dims, sub, cat, d) | |
| self.gats = nn.ModuleList([PhysicsBiasedGAT(d, heads) for _ in range(L)]) | |
| self.temporal = TemporalEncoder(d, heads, ff, L, T) | |
| self.head = LogStudentTHead(d, horizons, P) | |
| self.recon = ReconHead(d, n_cont=cfg.get("n_recon_channels",29)) | |
| def encode(self, groups_t, ei, e_hat, n_hat, wu, wv, blh, group_mask_t=None): | |
| """Window encode. Spatial GAT is BATCHED across T timesteps (block-diagonal graph): | |
| T*N nodes, edges replicated + offset by t*N, physics bias per timestep. One GAT pass | |
| instead of a Python T-loop -> big GPU speedup. Timesteps stay disconnected.""" | |
| T = len(groups_t); N = groups_t[0]["satellite"].shape[0] | |
| src, dst = ei[0], ei[1]; E = src.numel() | |
| # assemble each timestep (cheap Linears) -> [T*N, d] | |
| H = torch.cat([self.assemble(groups_t[t], None if group_mask_t is None else group_mask_t[t]) | |
| for t in range(T)], 0) # [T*N, d] | |
| # replicate edges for each timestep, offset by t*N | |
| offs = (torch.arange(T, device=src.device)*N).view(T,1) | |
| src_b = (src.unsqueeze(0)+offs).reshape(-1); dst_b = (dst.unsqueeze(0)+offs).reshape(-1) | |
| ei_b = torch.stack([src_b, dst_b]) # [2, T*E] | |
| # physics bias per timestep (cheap) -> [T*E] | |
| lb = torch.cat([phys_log_bias(wu[t], wv[t], blh[t], src, e_hat, n_hat) for t in range(T)]) | |
| for gat in self.gats: H = gat(H, ei_b, lb) # ONE batched spatial pass per layer | |
| H = H.view(T, N, -1).permute(1,0,2) # [N,T,d] | |
| return self.temporal(H) # [N,T,d] pre-pool | |
| def forward(self, groups_t, ei, e_hat, n_hat, wu, wv, blh, completeness, group_mask_t=None): | |
| h_seq = self.encode(groups_t, ei, e_hat, n_hat, wu, wv, blh, group_mask_t) | |
| z = h_seq[:, -1] # last-step pooling (pinned) | |
| mu, log_sigma, nu = self.head(z, completeness) | |
| return dict(mu=mu, log_sigma=log_sigma, nu=nu, h_seq=h_seq) | |
| # ------------------------------------------------------------- losses | |
| def student_t_nll(mu, log_sigma, nu, y, mask, y_logmean=None, y_logstd=None, y_eps=1e-3): | |
| """log-Student-t NLL on PER-POLLUTANT STANDARDIZED log(y+eps). mu is in standardized log space.""" | |
| import math | |
| yl = torch.log(y.clamp_min(0) + y_eps) | |
| if y_logmean is not None: | |
| yl = (yl - y_logmean.view(1,1,-1)) / y_logstd.view(1,1,-1) # standardize per pollutant | |
| sigma = F.softplus(log_sigma) + 1e-3 # log_sigma already clamped in head | |
| nu = nu.clamp(2.05, 100.0).view(1,1,-1) | |
| z = ((yl - mu) / sigma).clamp(-1e3, 1e3) | |
| nll = (torch.lgamma(nu/2) - torch.lgamma((nu+1)/2) + 0.5*torch.log(nu*math.pi) | |
| + torch.log(sigma) + (nu+1)/2*torch.log1p((z*z/nu).clamp(max=1e6))) | |
| nll = torch.nan_to_num(nll, nan=0.0, posinf=1e4, neginf=0.0) # last-resort guard | |
| return (nll*mask).sum()/mask.sum().clamp_min(1) | |
| def ssl_recon_loss(recon, target, masked_and_observed): | |
| """SSL_ROADMAP §2: MSE over {masked AND originally-observed} standardized channels.""" | |
| d = (recon - target)**2 * masked_and_observed | |
| return d.sum()/masked_and_observed.sum().clamp_min(1) | |
| if __name__ == "__main__": | |
| torch.manual_seed(0) | |
| net = AtmosIQNet() | |
| n = sum(p.numel() for p in net.parameters()) | |
| print(f"AtmosIQNet params: {n:,} (blueprint target ~287k)") | |
| N, E, T = 600, 4000, 7 | |
| groups_t = [{"satellite":torch.randn(N,18),"meteorology":torch.randn(N,12), | |
| "static_num":torch.randn(N,9),"landuse":torch.randint(0,11,(N,)), | |
| "calendar_num":torch.randn(N,16),"grap":torch.randint(0,5,(N,))} for _ in range(T)] | |
| ei = torch.randint(0,N,(2,E)); e_hat=torch.randn(E); n_hat=torch.randn(E) | |
| wu=torch.randn(T,N); wv=torch.randn(T,N); blh=torch.rand(T,N)*1000; comp=torch.rand(N) | |
| out = net(groups_t, ei, e_hat, n_hat, wu, wv, blh, comp) | |
| print("forward OK. mu", tuple(out["mu"].shape), "nu", tuple(out["nu"].shape), "h_seq", tuple(out["h_seq"].shape)) | |
| y = torch.rand(N,4,7)*100; m=(torch.rand(N,4,7)>0.5).float() | |
| nll = student_t_nll(out["mu"], out["log_sigma"], out["nu"], y, m) | |
| rec = net.recon(out["h_seq"]); tgt=torch.randn(N,T,29); mo=(torch.rand(N,T,29)>0.7).float() | |
| ssl = ssl_recon_loss(rec, tgt, mo) | |
| (nll+0.5*ssl).backward() | |
| print(f"nll={nll.item():.3f} ssl={ssl.item():.3f} — backward OK") | |