"""Next-generation backbones (2024-2026) under the same multi-task protocol. Every model here re-uses ``SequenceModel``'s multi-task heads (per-variable heads, softmax phases, softplus densities) and the optional micro->macro coupling, so the comparison against PI-Mamba / Mamba is apples-to-apples: same inputs, same loss, same budget. Implemented ----------- llama modern decoder-only Transformer: RoPE + RMSNorm + SwiGLU + SDPA xlstm mLSTM block (matrix memory, exponential input/forget gates), 2024 gdn Gated DeltaNet: delta-rule fast weights with per-step decay, 2024-25 hymba hybrid stack: Mamba block interleaved with attention (Jamba/Hymba) koopman Deep Koopman: *linear* latent dynamics with a learnable eigen-spectrum node Neural ODE: continuous-time latent dynamics, RK4 integration rssm latent world model: deterministic h_t + stochastic z_t, ELBO training flow conditional flow matching over the whole curve (generative) """ from __future__ import annotations import math import torch import torch.nn as nn import torch.nn.functional as F from .models import FiLM, RMSNorm, MambaBlock, SequenceModel # --------------------------------------------------------------------------- # helpers # --------------------------------------------------------------------------- def _rope(t, dim, device, base=10000.0): inv = base ** (-torch.arange(0, dim, 2, device=device).float() / dim) fr = torch.outer(torch.arange(t, device=device).float(), inv) emb = torch.cat([fr, fr], dim=-1) # (T, dim) return emb.cos(), emb.sin() def _rot(x): x1, x2 = x.chunk(2, dim=-1) return torch.cat([-x2, x1], dim=-1) class SwiGLU(nn.Module): def __init__(self, d, mult=2): super().__init__() self.w1 = nn.Linear(d, mult * d) self.w3 = nn.Linear(d, mult * d) self.w2 = nn.Linear(mult * d, d) def forward(self, x): return self.w2(F.silu(self.w1(x)) * self.w3(x)) class LLaMABlock(nn.Module): """Pre-norm attention + SwiGLU FFN, RoPE positions, SDPA kernel.""" def __init__(self, d, n_heads=4, dropout=0.1): super().__init__() assert d % n_heads == 0 self.h, self.dh = n_heads, d // n_heads self.n1 = RMSNorm(d) self.qkv = nn.Linear(d, 3 * d) self.o = nn.Linear(d, d) self.n2 = RMSNorm(d) self.ff = SwiGLU(d) self.p = dropout def forward(self, x, cos, sin): b, T, d = x.shape q, k, v = self.qkv(self.n1(x)).chunk(3, dim=-1) q = q.view(b, T, self.h, self.dh).transpose(1, 2) k = k.view(b, T, self.h, self.dh).transpose(1, 2) v = v.view(b, T, self.h, self.dh).transpose(1, 2) q = q * cos + _rot(q) * sin k = k * cos + _rot(k) * sin y = F.scaled_dot_product_attention( q, k, v, is_causal=True, dropout_p=self.p if self.training else 0.0) y = y.transpose(1, 2).reshape(b, T, d) x = x + self.o(y) return x + self.ff(self.n2(x)) class LLaMAModel(SequenceModel): def __init__(self, n_static, n_out, seq_dim=5, d_model=64, n_layers=2, n_heads=4, **kw): super().__init__(n_static, n_out, d_model=d_model, **kw) self.inp = nn.Linear(seq_dim, d_model) self.blocks = nn.ModuleList([LLaMABlock(d_model, n_heads, kw.get("dropout", 0.1)) for _ in range(n_layers)]) self.norm = RMSNorm(d_model) self.film = FiLM(d_model, d_model) def forward(self, static, x): b, T, _ = x.shape cond = self.static_enc(static) # RoPE operates on the per-head dimension dh = d_model / n_heads cos, sin = _rope(T, self.blocks[0].dh, x.device) h = self.inp(x) + cond.unsqueeze(1) for blk in self.blocks: h = blk(h, cos, sin) h = self.film(self.norm(h), cond) pred, micro = self.head(h, static) return {"pred": pred, "micro": micro, "h": h} class mLSTMBlock(nn.Module): """Matrix-memory LSTM (xLSTM, 2024) in recurrent form.""" def __init__(self, d, n_heads=4, dropout=0.1, expand=2): super().__init__() self.h, self.dh = n_heads, d // n_heads self.qkv = nn.Linear(d, 3 * d) self.gates = nn.Linear(d, 2 * n_heads) # input / forget logits self.out = nn.Linear(d, d) self.n = RMSNorm(d) self.ff = SwiGLU(d, expand) self.drop = nn.Dropout(dropout) self.record = False self.trace = [] def forward(self, x): b, T, d = x.shape q, k, v = self.qkv(x).chunk(3, dim=-1) q = q.view(b, T, self.h, self.dh) k = F.normalize(k.view(b, T, self.h, self.dh), dim=-1) v = v.view(b, T, self.h, self.dh) g = self.gates(x).view(b, T, 2, self.h) i_gate = torch.exp(g[:, :, 0]) # input gate (exp) f_gate = torch.sigmoid(g[:, :, 1]) # forget gate C = x.new_zeros(b, self.h, self.dh, self.dh) n = x.new_zeros(b, self.h, self.dh) outs = [] for t in range(T): ft = f_gate[:, t].unsqueeze(-1) it = i_gate[:, t].unsqueeze(-1) kt = k[:, t] C = ft.unsqueeze(-1) * C + it.unsqueeze(-1) * (v[:, t].unsqueeze(-1) @ kt.unsqueeze(-2)) n = ft * n + it * kt qt = q[:, t].unsqueeze(-1) num = (C @ qt).squeeze(-1) den = (n.unsqueeze(-1) * qt).sum(-2).abs().clamp(min=1.0) outs.append(num / den) if self.record: self.trace.append((float(C.norm()), float(f_gate[:, t].mean()))) y = torch.stack(outs, 1).reshape(b, T, d) x = x + self.drop(self.out(y)) return x + self.ff(self.n(x)) class xLSTMModel(SequenceModel): def __init__(self, n_static, n_out, seq_dim=5, d_model=64, n_layers=2, n_heads=4, **kw): super().__init__(n_static, n_out, d_model=d_model, **kw) self.inp = nn.Linear(seq_dim, d_model) self.blocks = nn.ModuleList([mLSTMBlock(d_model, n_heads, kw.get("dropout", 0.1)) for _ in range(n_layers)]) self.norm = RMSNorm(d_model) self.film = FiLM(d_model, d_model) def forward(self, static, x): cond = self.static_enc(static) h = self.inp(x) + cond.unsqueeze(1) for blk in self.blocks: h = blk(h) h = self.film(self.norm(h), cond) pred, micro = self.head(h, static) return {"pred": pred, "micro": micro, "h": h} class GatedDeltaBlock(nn.Module): """Gated delta rule: S <- a*S(I - b k k^T) + b v k^T (fast weights).""" def __init__(self, d, n_heads=4, dropout=0.1, expand=2): super().__init__() self.h, self.dh = n_heads, d // n_heads self.qkv = nn.Linear(d, 3 * d) self.gates = nn.Linear(d, 2 * n_heads) # decay a, write b self.out = nn.Linear(d, d) self.n = RMSNorm(d) self.ff = SwiGLU(d, expand) self.drop = nn.Dropout(dropout) self.record = False self.trace = [] def forward(self, x): b, T, d = x.shape q, k, v = self.qkv(x).chunk(3, dim=-1) q = F.normalize(q.view(b, T, self.h, self.dh), dim=-1) k = F.normalize(k.view(b, T, self.h, self.dh), dim=-1) v = v.view(b, T, self.h, self.dh) g = self.gates(x).view(b, T, 2, self.h) alpha = torch.sigmoid(g[:, :, 0]) # decay beta = torch.sigmoid(g[:, :, 1]) # write strength S = x.new_zeros(b, self.h, self.dh, self.dh) outs = [] for t in range(T): a = alpha[:, t].unsqueeze(-1).unsqueeze(-1) bt = beta[:, t].unsqueeze(-1).unsqueeze(-1) kt = k[:, t] S = a * S Sk = (S * kt.unsqueeze(-1)).sum(-2) # (b,h,dh) S = S - bt * (Sk.unsqueeze(-1) * kt.unsqueeze(-2)) S = S + bt * (v[:, t].unsqueeze(-1) * kt.unsqueeze(-2)) outs.append((S * q[:, t].unsqueeze(-1)).sum(-2) / math.sqrt(self.dh)) if self.record: self.trace.append((float(S.norm()), float(alpha[:, t].mean()), float(beta[:, t].mean()))) y = torch.stack(outs, 1).reshape(b, T, d) x = x + self.drop(self.out(y)) return x + self.ff(self.n(x)) class GatedDeltaModel(SequenceModel): def __init__(self, n_static, n_out, seq_dim=5, d_model=64, n_layers=2, n_heads=4, **kw): super().__init__(n_static, n_out, d_model=d_model, **kw) self.inp = nn.Linear(seq_dim, d_model) self.blocks = nn.ModuleList([GatedDeltaBlock(d_model, n_heads, kw.get("dropout", 0.1)) for _ in range(n_layers)]) self.norm = RMSNorm(d_model) self.film = FiLM(d_model, d_model) def forward(self, static, x): cond = self.static_enc(static) h = self.inp(x) + cond.unsqueeze(1) for blk in self.blocks: h = blk(h) h = self.film(self.norm(h), cond) pred, micro = self.head(h, static) return {"pred": pred, "micro": micro, "h": h} class HybridModel(SequenceModel): """Interleaved Mamba + attention (Jamba / Hymba style hybrid).""" def __init__(self, n_static, n_out, seq_dim=5, d_model=64, n_layers=2, d_state=16, n_heads=4, **kw): super().__init__(n_static, n_out, d_model=d_model, **kw) self.inp = nn.Linear(seq_dim, d_model) self.mamba = nn.ModuleList([MambaBlock(d_model, d_state) for _ in range(n_layers)]) self.attn = nn.ModuleList([LLaMABlock(d_model, n_heads, kw.get("dropout", 0.1)) for _ in range(n_layers)]) self.norm = RMSNorm(d_model) self.film = FiLM(d_model, d_model) def forward(self, static, x): b, T, _ = x.shape cond = self.static_enc(static) cos, sin = _rope(T, self.attn[0].dh, x.device) h = self.inp(x) + cond.unsqueeze(1) for mb, ab in zip(self.mamba, self.attn): h = ab(mb(h), cos, sin) h = self.film(self.norm(h), cond) pred, micro = self.head(h, static) return {"pred": pred, "micro": micro, "h": h} class KoopmanModel(SequenceModel): """Deep Koopman: latent state evolves *linearly*, z_{t+1} = A z_t + B u_t. A is block-diagonal with learnable (radius r, angle theta) pairs, so the spectrum is explicit: tau = -1/ln r is the memory time of each mode. """ def __init__(self, n_static, n_out, seq_dim=5, d_model=64, n_layers=1, d_lat=32, **kw): super().__init__(n_static, n_out, d_model=d_model, **kw) self.d_lat = d_lat self.enc = nn.Sequential(nn.Linear(seq_dim + d_model, d_model), nn.GELU(), nn.Linear(d_model, d_lat)) self.r_raw = nn.Parameter(torch.zeros(d_lat // 2)) self.theta = nn.Parameter(torch.linspace(0, 1.5, d_lat // 2)) self.B = nn.Linear(seq_dim + d_model, d_lat, bias=False) self.dec = nn.Sequential(nn.Linear(d_lat, d_model), nn.GELU(), nn.Linear(d_model, d_model)) self.film = FiLM(d_model, d_model) def spectrum(self): r = torch.exp(-F.softplus(self.r_raw)) # 0 < r < 1 return r, self.theta def forward(self, static, x): b, T, _ = x.shape cond = self.static_enc(static) u = torch.cat([x, cond.unsqueeze(1).expand(-1, T, -1)], dim=-1) r, th = self.spectrum() a = (r * torch.cos(th)).view(1, -1, 1) c = (r * torch.sin(th)).view(1, -1, 1) z = self.enc(u[:, 0]) Bu = self.B(u) zs = [] for t in range(T): z2 = z.view(b, -1, 2) zr = z2[..., 0].unsqueeze(-1) zi = z2[..., 1].unsqueeze(-1) z = torch.cat([a * zr - c * zi, c * zr + a * zi], dim=-1).reshape(b, -1) z = z + Bu[:, t] zs.append(z) z = torch.stack(zs, 1) h = self.film(self.dec(z), cond) pred, micro = self.head(h, static) return {"pred": pred, "micro": micro, "h": h, "z": z} class NODEModel(SequenceModel): """Neural ODE on a coarse grid (RK4), upsampled back to the strain grid.""" def __init__(self, n_static, n_out, seq_dim=5, d_model=64, n_layers=1, d_lat=32, substep=4, **kw): super().__init__(n_static, n_out, d_model=d_model, **kw) self.sub = substep self.d_lat = d_lat d_in = d_lat + seq_dim + d_model self.f = nn.Sequential(nn.Linear(d_in, 128), nn.Tanh(), nn.Linear(128, 128), nn.Tanh(), nn.Linear(128, d_lat)) self.enc = nn.Linear(seq_dim + d_model, d_lat) self.dec = nn.Sequential(nn.Linear(d_lat, d_model), nn.GELU(), nn.Linear(d_model, d_model)) self.film = FiLM(d_model, d_model) self.record = False self.trace = [] def _f(self, z, u, c): return self.f(torch.cat([z, u, c], dim=-1)) def forward(self, static, x): b, T, _ = x.shape cond = self.static_enc(static) c = cond z = self.enc(torch.cat([x[:, 0], cond], dim=-1)) dt = 1.0 / max(1, T // self.sub) zs = [] idx = list(range(0, T, self.sub)) for i in idx: zs.append(z) u = x[:, i] k1 = self._f(z, u, c) k2 = self._f(z + 0.5 * dt * k1, u, c) k3 = self._f(z + 0.5 * dt * k2, u, c) k4 = self._f(z + dt * k3, u, c) if self.record: self.trace.append(float(k1.norm(dim=-1).mean())) z = z + dt / 6.0 * (k1 + 2 * k2 + 2 * k3 + k4) zc = torch.stack(zs, 1) # (b, Tc, d) zc = F.interpolate(zc.transpose(1, 2), size=T, mode="linear", align_corners=True).transpose(1, 2) h = self.film(self.dec(zc), cond) pred, micro = self.head(h, static) return {"pred": pred, "micro": micro, "h": h, "z": zc} class RSSMModel(SequenceModel): """Latent world model: deterministic GRU state + stochastic latent (ELBO).""" needs_y = True def __init__(self, n_static, n_out, seq_dim=5, d_model=64, n_layers=1, d_det=64, d_stoch=16, **kw): super().__init__(n_static, n_out, d_model=d_model, **kw) self.d_det, self.d_stoch, self.n_out = d_det, d_stoch, n_out self.inp = nn.Linear(seq_dim, d_model) self.cell = nn.GRUCell(d_model + d_model, d_det) self.prior = nn.Linear(d_det, 2 * d_stoch) self.post = nn.Linear(d_det + n_out, 2 * d_stoch) self.dec = nn.Sequential(nn.Linear(d_det + d_stoch, d_model), nn.GELU(), nn.Linear(d_model, d_model)) self.film = FiLM(d_model, d_model) self.record = False self.trace = [] def _q(self, h, y=None): if y is not None: return self.post(torch.cat([h, y], dim=-1)) return self.prior(h) def forward(self, static, x, y=None, m=None): b, T, _ = x.shape cond = self.static_enc(static) hd = x.new_zeros(b, self.d_det) kl = x.new_zeros(()) hs, zs = [], [] for t in range(T): hd = self.cell(torch.cat([self.inp(x[:, t]), cond], dim=-1), hd) pr = self.prior(hd) pm, plv = pr.chunk(2, dim=-1) if self.training and y is not None: po = self._q(hd, y[:, t]) qm, qlv = po.chunk(2, dim=-1) kl = kl + _kl_diag(qm, qlv, pm, plv) eps = torch.randn_like(qm) z = qm + torch.exp(0.5 * qlv) * eps else: z = pm if self.record: self.trace.append(float(torch.exp(0.5 * plv).mean())) hs.append(hd) zs.append(z) hd = torch.stack(hs, 1) z = torch.stack(zs, 1) h = self.film(self.dec(torch.cat([hd, z], dim=-1)), cond) pred, micro = self.head(h, static) aux = kl / max(1, T) * 1e-3 return {"pred": pred, "micro": micro, "h": h, "aux_loss": aux} def _kl_diag(qm, qlv, pm, plv): """KL( N(qm, exp(qlv)) || N(pm, exp(plv)) ), summed over the last dim.""" qv, pv = torch.exp(qlv), torch.exp(plv) return 0.5 * ((qlv - plv) + (qv + (qm - pm) ** 2) / pv - 1.0).sum(-1).mean() class FlowModel(SequenceModel): """Conditional flow matching over the whole (T, 13) curve. The velocity field is a gated 1-D convolutional U-net conditioned on the static descriptor and on the strain/time channel. Training minimises the CFM objective; at inference the ODE is integrated with Euler steps. """ needs_y = True def __init__(self, n_static, n_out, seq_dim=5, d_model=64, n_layers=3, steps=8, **kw): super().__init__(n_static, n_out, d_model=d_model, **kw) self.n_out, self.steps = n_out, steps self.cond = nn.Sequential(nn.Linear(n_static, d_model), nn.GELU(), nn.Linear(d_model, d_model)) ch = n_out + seq_dim + d_model + 1 # x_t, u_t, cond, tau self.inp = nn.Conv1d(ch, d_model, 1) self.blocks = nn.ModuleList([ nn.Sequential(nn.Conv1d(d_model, d_model, 5, padding=2), nn.GELU(), nn.Conv1d(d_model, d_model, 5, padding=2)) for _ in range(n_layers)]) self.norms = nn.ModuleList([nn.GroupNorm(1, d_model) for _ in range(n_layers)]) self.out = nn.Conv1d(d_model, n_out, 1) def _v(self, xt, u, c, tau): b, T, _ = xt.shape cc = c.unsqueeze(1).expand(-1, T, -1) tt = tau.view(b, 1, 1).expand(-1, T, 1) z = self.inp(torch.cat([xt, u, cc, tt], dim=-1).transpose(1, 2)) for blk, nrm in zip(self.blocks, self.norms): z = z + blk(nrm(z)) return self.out(z).transpose(1, 2) def forward(self, static, x, y=None, m=None): b, T, _ = x.shape c = self.cond(static) if self.training and y is not None: tau = torch.rand(b, device=x.device) x0 = torch.randn_like(y) xt = (1 - tau.view(b, 1, 1)) * x0 + tau.view(b, 1, 1) * y v = self._v(xt, x, c, tau) w = (1.0 if m is None else m) cfm = (((v - (y - x0)) ** 2) * w).sum() / w.sum().clamp(min=1.0) else: cfm = x.new_zeros(()) # sample (used for evaluation / reporting) z = torch.randn(b, T, self.n_out, device=x.device) for k in range(self.steps): tau = torch.full((b,), k / self.steps, device=x.device) z = z + self._v(z, x, c, tau) / self.steps # z is already in the normalised target space -> it *is* the prediction return {"pred": z, "micro": z[..., 1:], "h": z, "replace_loss": cfm} @torch.no_grad() def sample(self, static, x, k: int = 8): """Draw k curves per sample; returns (k, b, T, n_out) in raw units? -> normalised.""" b, T, _ = x.shape c = self.cond(static) out = [] for _ in range(k): z = torch.randn(b, T, self.n_out, device=x.device) for j in range(self.steps): tau = torch.full((b,), j / self.steps, device=x.device) z = z + self._v(z, x, c, tau) / self.steps out.append(z) return torch.stack(out, 0)