# coding: utf-8 """ Fixed and modernized transformer/attention layers. Key fixes and improvements: - Robust mask broadcasting for both causal/attention masks and padding masks. - Apply both key padding masks and optional attention masks to scores BEFORE softmax (using a large negative value instead of -inf to avoid NaNs). - Consistent tensor shapes and comments. - Corrected positional encoding shapes and sinusoidal implementation. - Defensive programming with clear error messages when masks cannot be broadcast. """ import math from typing import Optional import torch import torch.nn as nn from torch import Tensor from constants import TARGET_PAD _LARGE_NEG = -1e9 # used instead of -inf to avoid NaNs when entire row is masked def _prepare_mask_for_scores(mask: Tensor, scores: Tensor) -> Tensor: """ Turn a mask (which may be 2D: [B, Lk] or [B, Lq] or 3D [B, Lq, Lk]) into a boolean tensor that can be broadcasted against `scores` (shape [B, num_heads, Lq, Lk]). Returned mask has shape that can broadcast to scores; True means **keep**. """ if mask is None: return None # Ensure boolean mask = mask.bool() # scores shape: [B, H, Lq, Lk] _, _, Lq, Lk = scores.shape # If mask is 2D (B, Lk) -> key padding mask: expand to (B, 1, 1, Lk) if mask.dim() == 2 and mask.size(1) == Lk: return mask.unsqueeze(1).unsqueeze(2) # If mask is 2D (B, Lq) -> query mask: expand to (B, 1, Lq, 1) if mask.dim() == 2 and mask.size(1) == Lq: return mask.unsqueeze(1).unsqueeze(-1) # If mask is 3D and matches (B, Lq, Lk) if mask.dim() == 3 and mask.size(1) == Lq and mask.size(2) == Lk: return mask.unsqueeze(1) # -> (B,1,Lq,Lk) # If mask is 4D and already matches scores shape (B,H,Lq,Lk) return as-is if mask.dim() == 4 and mask.shape == scores.shape: return mask # try to be flexible: add singleton dims on the left until it can broadcast while mask.dim() < 4: mask = mask.unsqueeze(1) # now check if last two dims can broadcast with scores' last two dims if not (mask.size(-2) in (1, Lq) and mask.size(-1) in (1, Lk)): raise RuntimeError(f"Cannot broadcast mask of shape {mask.shape} to attention scores shape {scores.shape}") return mask class MultiHeadedAttention(nn.Module): def __init__(self, num_heads: int, size: int, dropout: float = 0.1): super(MultiHeadedAttention, self).__init__() assert size % num_heads == 0, "`size` must be divisible by `num_heads`" self.head_size = size // num_heads self.model_size = size self.num_heads = num_heads self.k_layer = nn.Linear(size, num_heads * self.head_size) self.v_layer = nn.Linear(size, num_heads * self.head_size) self.q_layer = nn.Linear(size, num_heads * self.head_size) self.output_layer = nn.Linear(size, size) self.softmax = nn.Softmax(dim=-1) self.dropout = nn.Dropout(dropout) self.target_pad = TARGET_PAD def forward(self, k: Tensor, v: Tensor, q: Tensor, mask: Optional[Tensor] = None, padding_mask: Optional[Tensor] = None) -> Tensor: """ k: [B, Lk, D] v: [B, Lk, D] q: [B, Lq, D] mask: optional attention mask (causal or custom). Typical shapes: - [B, Lq, Lk] OR - [B, Lq] OR - [Lq, Lk] (will be broadcasted across batch) padding_mask: optional key padding mask with shape [B, Lk] (True where token is VALID) Returns: context vectors of shape [B, Lq, D] """ batch_size = q.size(0) # project to multi-head space k_proj = self.k_layer(k) # [B, Lk, H*hs] v_proj = self.v_layer(v) q_proj = self.q_layer(q) # reshape -> [B, H, L, hs] def _reshape(x): B, L, _ = x.size() return x.view(B, L, self.num_heads, self.head_size).transpose(1, 2) k_heads = _reshape(k_proj) v_heads = _reshape(v_proj) q_heads = _reshape(q_proj) # scale queries q_heads = q_heads / math.sqrt(self.head_size) # compute attention scores [B, H, Lq, Lk] scores = torch.matmul(q_heads, k_heads.transpose(2, 3)) # Prepare masks for scores and apply before softmax to zero out on softmax # Convert both mask (causal/custom) and padding_mask (keys) into broadcastable masks combined_mask = None if padding_mask is not None: # padding_mask: True where token is VALID -> we want keep True key_mask = _prepare_mask_for_scores(padding_mask, scores) combined_mask = key_mask if combined_mask is None else (combined_mask & key_mask) if mask is not None: att_mask = _prepare_mask_for_scores(mask, scores) combined_mask = att_mask if combined_mask is None else (combined_mask & att_mask) if combined_mask is not None: # combined_mask True means KEEP, so invert for masked_fill scores = scores.masked_fill(~combined_mask, _LARGE_NEG) # softmax attention = self.softmax(scores) attention = self.dropout(attention) # guard against any NaNs that could arise when rows are all -LARGE_NEG if torch.isnan(attention).any(): attention = torch.nan_to_num(attention, nan=0.0, posinf=0.0, neginf=0.0) # compute context [B, H, Lq, hs] context = torch.matmul(attention, v_heads) # reshape back to [B, Lq, H*hs] context = context.transpose(1, 2).contiguous().view(batch_size, -1, self.num_heads * self.head_size) output = self.output_layer(context) return output class PositionwiseFeedForward(nn.Module): def __init__(self, input_size, ff_size, dropout=0.1): super(PositionwiseFeedForward, self).__init__() self.layer_norm = nn.LayerNorm(input_size, eps=1e-6) self.pwff_layer = nn.Sequential( nn.Linear(input_size, ff_size), nn.ReLU(), nn.Dropout(dropout), nn.Linear(ff_size, input_size), nn.Dropout(dropout), ) def forward(self, x: Tensor) -> Tensor: x_norm = self.layer_norm(x) return self.pwff_layer(x_norm) + x class SinusoidalPositionEmbeddings(nn.Module): """Sinusoidal timestep embeddings for diffusion/time embeddings.""" def __init__(self, dim: int): super().__init__() self.dim = dim def forward(self, time: Tensor) -> Tensor: # time: [B] or [B, 1] device = time.device half_dim = self.dim // 2 emb = math.log(10000) / (half_dim - 1) exponents = torch.exp(torch.arange(half_dim, device=device, dtype=torch.float) * -emb) # time may be [B] -> make [B,1] time = time.float().unsqueeze(1) args = time * exponents.unsqueeze(0) # [B, half_dim] emb = torch.cat([torch.sin(args), torch.cos(args)], dim=-1) return emb class PositionalEncoding(nn.Module): def __init__(self, size: int = 0, max_len: int = 200000, mask_count: bool = False): super(PositionalEncoding, self).__init__() if size % 2 != 0: raise ValueError("Cannot use sin/cos positional encoding with odd dim") pe = torch.zeros(max_len, size) position = torch.arange(0, max_len, dtype=torch.float).unsqueeze(1) div_term = torch.exp(torch.arange(0, size, 2, dtype=torch.float) * -(math.log(10000.0) / size)) pe[:, 0::2] = torch.sin(position * div_term) pe[:, 1::2] = torch.cos(position * div_term) pe = pe.unsqueeze(0) # [1, max_len, size] self.register_buffer('pe', pe) self.dim = size self.mask_count = mask_count def forward(self, emb: Tensor) -> Tensor: # emb: [B, L, D] L = emb.size(1) return emb + self.pe[:, :L, :] class TransformerEncoderLayer(nn.Module): def __init__(self, size: int = 0, ff_size: int = 0, num_heads: int = 0, dropout: float = 0.1): super(TransformerEncoderLayer, self).__init__() self.layer_norm = nn.LayerNorm(size, eps=1e-6) self.src_src_att = MultiHeadedAttention(num_heads, size, dropout=dropout) self.feed_forward = PositionwiseFeedForward(size, ff_size=ff_size) self.dropout = nn.Dropout(dropout) self.size = size def forward(self, x: Tensor, mask: Optional[Tensor] = None) -> Tensor: x_norm = self.layer_norm(x) h = self.src_src_att(x_norm, x_norm, x_norm, mask=mask) h = self.dropout(h) + x o = self.feed_forward(h) return o class TransformerDecoderLayer(nn.Module): def __init__(self, size: int = 0, ff_size: int = 0, num_heads: int = 0, dropout: float = 0.1, decoder_trg_trg: bool = True): super(TransformerDecoderLayer, self).__init__() self.size = size self.trg_trg_att = MultiHeadedAttention(num_heads, size, dropout=dropout) self.src_trg_att = MultiHeadedAttention(num_heads, size, dropout=dropout) self.feed_forward = PositionwiseFeedForward(size, ff_size=ff_size) self.x_layer_norm = nn.LayerNorm(size, eps=1e-6) self.dec_layer_norm = nn.LayerNorm(size, eps=1e-6) self.dropout = nn.Dropout(dropout) self.decoder_trg_trg = decoder_trg_trg def forward(self, x: Tensor = None, memory: Tensor = None, src_mask: Optional[Tensor] = None, trg_mask: Optional[Tensor] = None, padding_mask: Optional[Tensor] = None) -> (Tensor, Tensor): # decoder/target self-attention h1 = self.x_layer_norm(x) # Target-Target Self Attention (causal + padding handled by masks) if self.decoder_trg_trg: h1 = self.trg_trg_att(h1, h1, h1, mask=trg_mask, padding_mask=padding_mask) h1 = self.dropout(h1) + x # Source-Target Attention: keys/values from memory (encoder output), queries from h1 h1_norm = self.dec_layer_norm(h1) h2 = self.src_trg_att(memory, memory, h1_norm, mask=src_mask, padding_mask=None) # final position-wise feed-forward layer o = self.feed_forward(self.dropout(h2) + h1) return o, h2