import math import torch import torch.nn as nn import torch.nn.functional as F class TimeRoPE(nn.Module): def __init__(self, dim: int, base: float = 10000.0): super().__init__() assert dim % 2 == 0, "RoPE dim must be even" self.dim = dim # inv_freq is not trainable, but should move with device. inv_freq = 1.0 / (base ** (torch.arange(0, dim, 2).float() / dim)) self.register_buffer("inv_freq", inv_freq, persistent=False) def precompute_cache(self, tau: torch.Tensor) -> tuple[torch.Tensor, torch.Tensor]: t = tau.unsqueeze(-1) # (B, L, 1) angles = t * self.inv_freq # (B, L, dim//2) # Pre-expand for heads and interleave once (avoids N_layers repeats) cos = angles.cos().unsqueeze(1).repeat_interleave(2, dim=-1) sin = angles.sin().unsqueeze(1).repeat_interleave(2, dim=-1) return cos, sin # (B, 1, L, dim) @staticmethod def _rotate_half(x: torch.Tensor) -> torch.Tensor: """Rotate pairs: ``[-x2, x1, -x4, x3, ...]``.""" x1 = x[..., 0::2] x2 = x[..., 1::2] return torch.stack((-x2, x1), dim=-1).flatten(-2) @staticmethod def apply_from_cache( q: torch.Tensor, k: torch.Tensor, rope_cache: tuple[torch.Tensor, torch.Tensor], ) -> tuple[torch.Tensor, torch.Tensor]: cos, sin = rope_cache # each (B, 1, L, dim) q_rot = q * cos + TimeRoPE._rotate_half(q) * sin k_rot = k * cos + TimeRoPE._rotate_half(k) * sin return q_rot, k_rot def forward( self, tau: torch.Tensor, q: torch.Tensor, k: torch.Tensor, ) -> tuple[torch.Tensor, torch.Tensor]: cache = self.precompute_cache(tau) return self.apply_from_cache(q, k, cache) class GaussianRBFTimeBasis(nn.Module): def __init__( self, n_bases: int = 16, max_time_diff: float = 40.0, ): super().__init__() self.n_bases = n_bases # Evenly spaced RBF centres for non-negative linear time differences. # Causal masking enforces query_time >= key_time, so diff is >= 0. centers = torch.linspace(0.0, max_time_diff, n_bases) self.register_buffer("centers", centers, persistent=False) # (n_bases,) # Learnable log-widths (initialized to center spacing on linear scale). init_width = max(max_time_diff / max(n_bases - 1, 1), 1e-3) init_log_width = math.log(init_width) self.log_widths = nn.Parameter(torch.full((n_bases,), init_log_width)) def precompute_cache(self, tau: torch.Tensor) -> torch.Tensor: time_coord = tau.float() # (B, L) # Pairwise signed difference: query_i - key_j. diff = time_coord.unsqueeze( 2) - time_coord.unsqueeze(1) # (B, L_q, L_k) # Gaussian RBF: exp(-0.5 * ((diff - c) / w)^2) diff = diff.unsqueeze(-1) # (B, L, L, 1) widths = self.log_widths.exp() # (n_bases,) rbf_acts = torch.exp( -0.5 * ((diff - self.centers) / widths).square() # (B, L, L, n_bases) ) return rbf_acts class TemporalAttention(nn.Module): def __init__( self, n_embd: int, n_head: int, n_rbf_bases: int = 16, dropout: float = 0.0, use_time_rope: bool = True, use_rbf_bias: bool = True, ): super().__init__() assert n_embd % n_head == 0, "n_embd must be divisible by n_head" self.n_head = n_head self.d_head = n_embd // n_head self.scale = 1.0 / math.sqrt(self.d_head) self.use_time_rope = use_time_rope self.use_rbf_bias = use_rbf_bias # QKV projection (fused for efficiency) self.qkv = nn.Linear(n_embd, 3 * n_embd, bias=False) # Output projection self.out_proj = nn.Linear(n_embd, n_embd, bias=False) # Layer-specific projection from shared RBF basis activations to per-head attention bias. self.rbf_proj = nn.Linear(n_rbf_bases, n_head, bias=False) # Keep the initial RBF attention bias exactly zero through the # zero-initialized projection, while leaving that projection with a # live gradient from the first optimization step. self.time_bias_scale = nn.Parameter(torch.tensor(1.0)) self.resid_drop = nn.Dropout(dropout) self.reset_parameters() def reset_parameters(self) -> None: """Match the previous version's GPT-style weight initialization.""" nn.init.normal_(self.qkv.weight, mean=0.0, std=0.02) nn.init.normal_(self.out_proj.weight, mean=0.0, std=0.02) nn.init.zeros_(self.rbf_proj.weight) def forward( self, x: torch.Tensor, rope_cache: tuple[torch.Tensor, torch.Tensor] | None = None, rbf_cache: torch.Tensor | None = None, attn_mask: torch.Tensor | None = None, ) -> torch.Tensor: if self.use_time_rope: assert rope_cache is not None, "rope_cache must be provided when use_time_rope is True" if self.use_rbf_bias: assert rbf_cache is not None, "rbf_cache must be provided when use_rbf_bias is True" B, L, _ = x.shape H, D = self.n_head, self.d_head # --- QKV ---------------------------------------------------------- qkv = self.qkv(x).reshape(B, L, 3, H, D).permute(2, 0, 3, 1, 4) q, k, v = qkv.unbind(0) # each (B, H, L, D) # --- Apply RoPE (from shared cache) -------------------------------- if self.use_time_rope: q, k = TimeRoPE.apply_from_cache(q, k, rope_cache) # Build additive attention bias mask: time bias + causal/padding mask. time_bias = None if self.use_rbf_bias: time_bias = self.rbf_proj(rbf_cache).permute( 0, 3, 1, 2) # (B, H, L, L) time_bias = self.time_bias_scale.tanh() * time_bias if time_bias is not None and attn_mask is not None: attn_bias = time_bias + attn_mask.to(time_bias.dtype) elif time_bias is not None: attn_bias = time_bias elif attn_mask is not None: attn_bias = attn_mask else: attn_bias = None out = F.scaled_dot_product_attention( q, k, v, attn_mask=attn_bias, dropout_p=0.0, is_causal=False, scale=self.scale, ) # --- Aggregate & project out -------------------------------------- out = out.transpose(1, 2).reshape(B, L, H * D) return self.resid_drop(self.out_proj(out)) class TrajMixer(nn.Module): """PreNorm gated mixing within and across latent trajectory groups. The groups are contiguous partitions of the post-``W_O`` residual representation. They are deliberately not treated as attention heads. All operations are position-wise, so the sequence dimension remains fully parallel and no temporal information can leak between positions here. """ def __init__( self, n_embd: int, n_head: int = 10, dropout: float = 0.0, ): super().__init__() if n_embd <= 0: raise ValueError(f"n_embd must be > 0, got {n_embd}") if n_head <= 0: raise ValueError(f"n_head must be > 0, got {n_head}") if n_embd % n_head != 0: raise ValueError( f"n_embd must be divisible by n_head, got {n_embd} and {n_head}" ) self.n_embd = n_embd # The residual-group count is tied to n_head, but the resulting groups # are still residual-space partitions rather than attention heads. self.n_group = n_head self.d_group = n_embd // n_head self.intra_hidden = 4 * self.d_group self.hidden_group = 4 * n_head # A single full-width PreNorm serves the entire TrajMixer branch. self.norm = nn.LayerNorm(self.n_embd) # Stage 1: each group independently mixes its internal features. self.intra_gate_proj = nn.Parameter( torch.empty(self.n_group, self.d_group, self.intra_hidden) ) self.intra_value_proj = nn.Parameter( torch.empty(self.n_group, self.d_group, self.intra_hidden) ) self.intra_output_proj = nn.Parameter( torch.empty(self.n_group, self.intra_hidden, self.d_group) ) self.intra_gate_logits = nn.Parameter( torch.empty(self.n_group, self.d_group) ) # Per-feature cross-group projections. The feature index is kept # independent, exactly as specified by the TrajMixer baseline. self.gate_proj = nn.Parameter( torch.empty(self.d_group, self.n_group, self.hidden_group) ) self.value_proj = nn.Parameter( torch.empty(self.d_group, self.n_group, self.hidden_group) ) self.output_proj = nn.Parameter( torch.empty(self.d_group, self.hidden_group, self.n_group) ) self.drop = nn.Dropout(dropout) self.reset_parameters() def reset_parameters(self) -> None: for group_idx in range(self.n_group): nn.init.xavier_uniform_(self.intra_gate_proj[group_idx]) nn.init.xavier_uniform_(self.intra_value_proj[group_idx]) nn.init.xavier_uniform_(self.intra_output_proj[group_idx]) nn.init.constant_( self.intra_gate_logits, math.log(0.1 / 0.9), ) # Initialise each feature-specific matrix independently so Xavier's # fan-in/fan-out calculation sees a two-dimensional matrix. for feature_idx in range(self.d_group): nn.init.xavier_uniform_(self.gate_proj[feature_idx]) nn.init.xavier_uniform_(self.value_proj[feature_idx]) nn.init.normal_(self.output_proj, mean=0.0, std=1e-3) def _intra_mix(self, grouped: torch.Tensor) -> torch.Tensor: """Mix features independently inside each residual-space group.""" intra_gate = torch.einsum( "blgd,gdh->blgh", grouped, self.intra_gate_proj ) intra_value = torch.einsum( "blgd,gdh->blgh", grouped, self.intra_value_proj ) intra_hidden = F.silu(intra_gate) * intra_value return torch.einsum( "blgh,ghd->blgd", intra_hidden, self.intra_output_proj ) def _cross_mix(self, grouped: torch.Tensor) -> torch.Tensor: """Mix groups independently for each within-group coordinate.""" gate = torch.einsum( "blgr,rgh->blhr", grouped, self.gate_proj ) value = torch.einsum( "blgr,rgh->blhr", grouped, self.value_proj ) hidden = F.silu(gate) * value return torch.einsum( "blhr,rhg->blgr", hidden, self.output_proj ) def forward(self, x: torch.Tensor) -> torch.Tensor: """Apply one full-width PreNorm and one outer residual update.""" if x.ndim != 3: raise ValueError(f"TrajMixer expects a 3D tensor, got shape {tuple(x.shape)}") if x.size(-1) != self.n_embd: raise ValueError( f"Expected hidden size {self.n_embd}, got {x.size(-1)}" ) batch_size, seq_len, _ = x.shape grouped = self.norm(x).reshape( batch_size, seq_len, self.n_group, self.d_group ) # The static per-channel gate starts at sigmoid(logit) ~= 0.1. intra_output = self._intra_mix(grouped) intra_gate = torch.sigmoid(self.intra_gate_logits).view( 1, 1, self.n_group, self.d_group ) mixed_input = grouped + intra_gate * intra_output # Stage 2: n_group -> 4*n_group -> n_group for each coordinate. update = self._cross_mix(mixed_input).reshape( batch_size, seq_len, self.n_embd ) return x + self.drop(update) class GPTBlock(nn.Module): def __init__( self, n_embd: int, n_head: int, attn_dropout: float = 0.0, mlp_dropout: float = 0.0, use_time_rope: bool = False, use_rbf_bias: bool = False, n_rbf_bases: int = 16, ): super().__init__() self.attn = TemporalAttention( n_embd=n_embd, n_head=n_head, n_rbf_bases=n_rbf_bases, dropout=attn_dropout, use_time_rope=use_time_rope, use_rbf_bias=use_rbf_bias, ) self.mlp = TrajMixer( n_embd=n_embd, n_head=n_head, dropout=mlp_dropout, ) self.ln1 = nn.LayerNorm(n_embd) def forward( self, x: torch.Tensor, rope_cache: tuple[torch.Tensor, torch.Tensor] | None = None, rbf_cache: torch.Tensor | None = None, attn_mask: torch.Tensor | None = None, ) -> torch.Tensor: x = x + self.attn(self.ln1(x), rope_cache, rbf_cache, attn_mask) return self.mlp(x) class TokenAutoDiscretization(nn.Module): def __init__( self, n_cont_types: int, n_bins: int, n_embd: int, ): super().__init__() if n_cont_types <= 0: raise ValueError(f"n_cont_types must be > 0, got {n_cont_types}") if n_bins <= 1: raise ValueError(f"n_bins must be > 1, got {n_bins}") if n_embd <= 0: raise ValueError(f"n_embd must be > 0, got {n_embd}") self.n_cont_types = n_cont_types self.n_bins = n_bins self.n_embd = n_embd self.weight = nn.Parameter(torch.empty(n_cont_types, n_bins)) self.bias = nn.Parameter(torch.empty(n_cont_types, n_bins)) self.bin_emb = nn.Parameter(torch.empty(n_cont_types, n_bins, n_embd)) self.reset_parameters() def reset_parameters(self) -> None: nn.init.normal_(self.weight, mean=0.0, std=0.02) nn.init.zeros_(self.bias) nn.init.normal_(self.bin_emb, mean=0.0, std=0.02) def forward( self, cont_type_idx: torch.LongTensor, # (N,) value: torch.Tensor, # (N,) ) -> torch.Tensor: if cont_type_idx.dim() != 1: raise ValueError( f"cont_type_idx must be 1D, got {tuple(cont_type_idx.shape)}" ) if value.dim() != 1: raise ValueError(f"value must be 1D, got {tuple(value.shape)}") if cont_type_idx.numel() != value.numel(): raise ValueError("cont_type_idx and value must have the same length") w = self.weight[cont_type_idx] # (N, n_bins) b = self.bias[cont_type_idx] # (N, n_bins) e = self.bin_emb[cont_type_idx] # (N, n_bins, D) logits = value.unsqueeze(-1) * w + b probs = torch.softmax(logits, dim=-1) return torch.einsum("nb,nbd->nd", probs, e) class AgeSinusoidalEncoding(nn.Module): def __init__(self, embedding_dim: int): super().__init__() if embedding_dim % 2 != 0: raise ValueError( f"Embedding dimension must be an even number, but got {embedding_dim}") self.embedding_dim = embedding_dim i = torch.arange(0, self.embedding_dim, 2, dtype=torch.float32) divisor = torch.pow(10000, i / self.embedding_dim) self.register_buffer('divisor', divisor) self.linear = nn.Linear(embedding_dim, embedding_dim, bias=False) def forward(self, t: torch.Tensor) -> torch.Tensor: t_years = t # Broadcast (B, L, 1) against (1, 1, D/2) to get (B, L, D/2) args = t_years.unsqueeze(-1) / self.divisor.view(1, 1, -1) # Interleave cos and sin along the last dimension output = torch.zeros(t.shape[0], t.shape[1], self.embedding_dim, device=t.device) output[:, :, 0::2] = torch.cos(args) output[:, :, 1::2] = torch.sin(args) output = self.linear(output) return output