# Copyright (c) Meta Platforms, Inc. and affiliates. # All rights reserved. # This source code is licensed under the license found in the # LICENSE file in the root directory of this source tree. # -------------------------------------------------------- # References: # GLIDE: https://github.com/openai/glide-text2im # MAE: https://github.com/facebookresearch/mae/blob/main/models_mae.py # -------------------------------------------------------- import torch import torch.nn as nn import numpy as np import math from timm.models.vision_transformer import PatchEmbed, Attention, Mlp from torch import einsum from einops import rearrange, repeat from autoencoder import * def modulate(x, shift, scale): return x * (1 + scale.unsqueeze(1)) + shift.unsqueeze(1) ################################################################################# # Embedding Layers for Timesteps and Class Labels # ################################################################################# class TimestepEmbedder(nn.Module): """ Embeds scalar timesteps into vector representations. """ def __init__(self, hidden_size, frequency_embedding_size=256): super().__init__() self.mlp = nn.Sequential( nn.Linear(frequency_embedding_size, hidden_size, bias=True), nn.SiLU(), nn.Linear(hidden_size, hidden_size, bias=True), ) self.frequency_embedding_size = frequency_embedding_size @staticmethod def timestep_embedding(t, dim, max_period=10000): """ Create sinusoidal timestep embeddings. :param t: a 1-D Tensor of N indices, one per batch element. These may be fractional. :param dim: the dimension of the output. :param max_period: controls the minimum frequency of the embeddings. :return: an (N, D) Tensor of positional embeddings. """ # https://github.com/openai/glide-text2im/blob/main/glide_text2im/nn.py half = dim // 2 freqs = torch.exp( -math.log(max_period) * torch.arange(start=0, end=half, dtype=torch.float32) / half ).to(device=t.device) args = t[:, None].float() * freqs[None] embedding = torch.cat([torch.cos(args), torch.sin(args)], dim=-1) if dim % 2: embedding = torch.cat([embedding, torch.zeros_like(embedding[:, :1])], dim=-1) return embedding def forward(self, t): t_freq = self.timestep_embedding(t, self.frequency_embedding_size) t_emb = self.mlp(t_freq) return t_emb ################################################################################# # Core DiT Model # ################################################################################# class CrossAttention(nn.Module): def __init__(self, query_dim, heads=8, dropout=0.): super().__init__() dim_head = query_dim / heads self.scale = dim_head ** -0.5 self.heads = heads self.to_q = nn.Linear(query_dim, query_dim, bias=True) self.to_k = nn.Linear(query_dim, query_dim, bias=True) self.to_v = nn.Linear(query_dim, query_dim, bias=True) def forward(self, x, context=None): h = self.heads q = self.to_q(x) k = self.to_k(context).unsqueeze(1) v = self.to_v(context).unsqueeze(1) q, k, v = map(lambda t: rearrange(t, 'b n (h d) -> (b h) n d', h=h), (q, k, v)) sim = einsum('b i d, b j d -> b i j', q, k) * self.scale # attention, what we cannot get enough of attn = sim.softmax(dim=-2) out = einsum('b i j, b j d -> b i d', attn, v) out = rearrange(out, '(b h) n d -> b n (h d)', h=h) attn_out = rearrange(attn, '(b h) n d -> b n (h d)', h=h) return out, attn_out class Cross_Norm(nn.Module): def __init__(self, hidden_size, num_heads): super().__init__() self.norm = nn.LayerNorm(hidden_size, elementwise_affine=False, eps=1e-6) self.cross_attention = CrossAttention(hidden_size, heads=num_heads) def forward(self, x, c): x = self.norm(x) x = self.cross_attention(x, c) return x class DiTBlock(nn.Module): """ A DiT block with adaptive layer norm zero (adaLN-Zero) conditioning. """ def __init__(self, hidden_size, num_heads, mlp_ratio=4.0, **block_kwargs): super().__init__() self.norm1 = nn.LayerNorm(hidden_size, elementwise_affine=False, eps=1e-6) self.attn = Attention(hidden_size, num_heads=num_heads, qkv_bias=True, **block_kwargs) self.norm2 = nn.LayerNorm(hidden_size, elementwise_affine=False, eps=1e-6) mlp_hidden_dim = int(hidden_size * mlp_ratio) approx_gelu = lambda: nn.GELU() self.mlp = Mlp(in_features=hidden_size, hidden_features=mlp_hidden_dim, act_layer=approx_gelu, drop=0) self.adaLN_modulation = nn.Sequential( nn.SiLU(), nn.Linear(hidden_size, 6 * hidden_size, bias=True) ) def forward(self, x, c): shift_msa, scale_msa, gate_msa, shift_mlp, scale_mlp, gate_mlp = self.adaLN_modulation(c).chunk(6, dim=1) x = x + gate_msa.unsqueeze(1) * self.attn(modulate(self.norm1(x), shift_msa, scale_msa)) x = x + gate_mlp.unsqueeze(1) * self.mlp(modulate(self.norm2(x), shift_mlp, scale_mlp)) return x class FinalLayer(nn.Module): """ The final layer of DiT. """ def __init__(self, hidden_size, patch_size, out_channels): super().__init__() self.norm_final = nn.LayerNorm(hidden_size, elementwise_affine=False, eps=1e-6) self.linear = nn.Linear(hidden_size, patch_size * patch_size * out_channels, bias=True) self.adaLN_modulation = nn.Sequential( nn.SiLU(), nn.Linear(hidden_size, 2 * hidden_size, bias=True) ) def forward(self, x, c): shift, scale = self.adaLN_modulation(c).chunk(2, dim=1) x = modulate(self.norm_final(x), shift, scale) x = self.linear(x) return x class temp_Adaptive_Mask(nn.Module): def __init__(self, hidden_size, patch_size, out_channels): super().__init__() self.out_channels = out_channels self.patch_size = patch_size self.norm = nn.LayerNorm(hidden_size, elementwise_affine=False, eps=1e-6) self.linear = nn.Linear(hidden_size, patch_size * patch_size * out_channels, bias=True) self.mlp = nn.Sequential( nn.SiLU(), nn.Linear(hidden_size, 2 * hidden_size, bias=True), nn.Linear(2 * hidden_size, hidden_size, bias=True) ) def forward(self, x): x = self.norm(x) x = self.mlp(x) x = self.linear(x) h = w = int(x.shape[1] ** 0.5) assert h * w == x.shape[1] c = self.out_channels p = self.patch_size x = x.reshape(shape=(x.shape[0], h, w, p, p, c)) x = torch.einsum('nhwpqc->nchpwq', x) x = x.reshape(shape=(x.shape[0], c, h * p, h * p)) return x class DiT(nn.Module): """ Diffusion model with a Transformer backbone. """ def __init__( self, input_size=32, patch_size=2, in_channels=4, hidden_size=1152, depth=28, num_heads=16, mlp_ratio=4.0, class_dropout_prob=0.1, num_classes=1000, learn_sigma=True, ): super().__init__() self.learn_sigma = learn_sigma self.in_channels = in_channels self.out_channels = in_channels * 2 if learn_sigma else in_channels self.patch_size = patch_size self.num_heads = num_heads self.x_embedder = PatchEmbed(input_size, patch_size, in_channels, hidden_size, bias=True) self.t_embedder = TimestepEmbedder(hidden_size) self.y_embedders = nn.Linear(1024, 1152) num_patches = self.x_embedder.num_patches self.pos_embed = nn.Parameter(torch.zeros(1, num_patches, hidden_size), requires_grad=False) self.blocks = nn.ModuleList([ DiTBlock(hidden_size, num_heads, mlp_ratio=mlp_ratio) for _ in range(depth) ]) self.cross_defect = nn.ModuleList([ Cross_Norm(hidden_size, num_heads) for _ in range(10) ]) self.adapt_mask = temp_Adaptive_Mask(num_heads*10, patch_size, in_channels) self.final_layer = FinalLayer(hidden_size, patch_size, self.out_channels) self.initialize_weights() def initialize_weights(self): # Initialize transformer layers: def _basic_init(module): if isinstance(module, nn.Linear): torch.nn.init.xavier_uniform_(module.weight) if module.bias is not None: nn.init.constant_(module.bias, 0) self.apply(_basic_init) # Initialize (and freeze) pos_embed by sin-cos embedding: pos_embed = get_2d_sincos_pos_embed(self.pos_embed.shape[-1], int(self.x_embedder.num_patches ** 0.5)) self.pos_embed.data.copy_(torch.from_numpy(pos_embed).float().unsqueeze(0)) # Initialize patch_embed like nn.Linear (instead of nn.Conv2d): w = self.x_embedder.proj.weight.data nn.init.xavier_uniform_(w.view([w.shape[0], -1])) nn.init.constant_(self.x_embedder.proj.bias, 0) # Initialize timestep embedding MLP: nn.init.normal_(self.t_embedder.mlp[0].weight, std=0.02) nn.init.normal_(self.t_embedder.mlp[2].weight, std=0.02) # Zero-out adaLN modulation layers in DiT blocks: for block in self.blocks: nn.init.constant_(block.adaLN_modulation[-1].weight, 0) nn.init.constant_(block.adaLN_modulation[-1].bias, 0) # Zero-out output layers: nn.init.constant_(self.final_layer.adaLN_modulation[-1].weight, 0) nn.init.constant_(self.final_layer.adaLN_modulation[-1].bias, 0) nn.init.constant_(self.final_layer.linear.weight, 0) nn.init.constant_(self.final_layer.linear.bias, 0) def unpatchify(self, x): """ x: (N, T, patch_size**2 * C) imgs: (N, H, W, C) """ c = self.out_channels p = self.x_embedder.patch_size[0] h = w = int(x.shape[1] ** 0.5) assert h * w == x.shape[1] x = x.reshape(shape=(x.shape[0], h, w, p, p, c)) x = torch.einsum('nhwpqc->nchpwq', x) imgs = x.reshape(shape=(x.shape[0], c, h * p, h * p)) return imgs def forward(self, x, t, y): """ Forward pass of DiT. x: (N, C, H, W) tensor of spatial inputs (images or latent representations of images) t: (N,) tensor of diffusion timesteps y: (N,) tensor of class labels """ x = self.x_embedder(x) + self.pos_embed # (N, T, D), where T = H * W / patch_size ** 2 t = self.t_embedder(t) # (N, D) y_defect = self.y_embedders(y[0]) y_class = self.y_embedders(y[1]) # (N, D) y_all = self.y_embedders(y[2]) att_map = [] loss_att = 0 for i in range(28): block = self.blocks[i] if i < 10: c = t + y_class x = block(x, c) # (N, T, D) elif i < 20: cross = self.cross_defect[i - 10] c = t + y_defect shift_msa, scale_msa, gate_msa, shift_mlp, scale_mlp, gate_mlp = block.adaLN_modulation(c).chunk(6, dim=1) x = x + gate_msa.unsqueeze(1) * block.attn(modulate(block.norm1(x), shift_msa, scale_msa)) cross_att, att_weight = cross(x, c) loss_att += att_weight att_map.append(att_weight) x = x + cross_att x = x + gate_mlp.unsqueeze(1) * block.mlp(modulate(block.norm2(x), shift_mlp, scale_mlp)) elif i < 28: c = t + y_all x = block(x, c) x = self.final_layer(x, c) # (N, T, patch_size ** 2 * out_channels) x = self.unpatchify(x) # (N, out_channels, H, W) att_map = torch.cat(att_map, dim=-1) att_mask = self.adapt_mask(att_map) return x, att_mask, loss_att.resize(x.shape[0], x.shape[2]//2, x.shape[3]//2, 16).mean(dim=-1) def forward_free_2(self, x, t, y, mask_temp=None): """ Forward pass of DiT. x: (N, C, H, W) tensor of spatial inputs (images or latent representations of images) t: (N,) tensor of diffusion timesteps y: (N,) tensor of class labels """ x = self.x_embedder(x) + self.pos_embed # (N, T, D), where T = H * W / patch_size ** 2 t = self.t_embedder(t) # (N, D) y_defect = self.y_embedders(torch.cat([y[0][0], y[1][0]], dim=0)) y_class = self.y_embedders(torch.cat([y[0][1], y[1][1]], dim=0)) # (N, D) y_all = self.y_embedders(torch.cat([y[0][2], y[1][2]], dim=0)) att_map = [] loss_att = 0 for i in range(28): block = self.blocks[i] if i < 10: c = t + y_class x = block(x, c) # (N, T, D) elif i < 20: cross = self.cross_defect[i - 10] c = t + y_defect shift_msa, scale_msa, gate_msa, shift_mlp, scale_mlp, gate_mlp = block.adaLN_modulation(c).chunk(6, dim=1) x = x + gate_msa.unsqueeze(1) * block.attn(modulate(block.norm1(x), shift_msa, scale_msa)) cross_att, att_weight = cross(x, c) att_map.append(att_weight) loss_att+=att_weight x = x + cross_att x = x + gate_mlp.unsqueeze(1) * block.mlp(modulate(block.norm2(x), shift_mlp, scale_mlp)) elif i < 28: c = t + y_all x = block(x, c) x = self.final_layer(x, c) # (N, T, patch_size ** 2 * out_channels) x = self.unpatchify(x) # (N, out_channels, H, W) att_map = torch.cat(att_map, dim=-1) att_mask = self.adapt_mask(att_map) return x, att_mask, loss_att def forward_with_cfg_2(self, x, t, y, cfg_scale): """ Forward pass of DiT, but also batches the unconditional forward pass for classifier-free guidance. """ # https://github.com/openai/glide-text2im/blob/main/notebooks/text2im.ipynb half = x[: len(x) // 2] combined = torch.cat([half, half], dim=0) model_out, mask, _ = self.forward_free_2(combined, t, y) # For exact reproducibility reasons, we apply classifier-free guidance on only # three channels by default. The standard approach to cfg applies it to all channels. # This can be done by uncommenting the following line and commenting-out the line following that. # eps, rest = model_out[:, :self.in_channels], model_out[:, self.in_channels:] eps, rest = model_out[:, :3], model_out[:, 3:] cond_eps, uncond_eps = torch.split(eps, len(eps) // 2, dim=0) half_eps = uncond_eps + cfg_scale * (cond_eps - uncond_eps) eps = torch.cat([half_eps, half_eps], dim=0) return torch.cat([eps, rest], dim=1), mask, _ def forward_free_3(self, x, t, y, mask_temp=None): """ Forward pass of DiT. x: (N, C, H, W) tensor of spatial inputs (images or latent representations of images) t: (N,) tensor of diffusion timesteps y: (N,) tensor of class labels """ x = self.x_embedder(x) + self.pos_embed # (N, T, D), where T = H * W / patch_size ** 2 t = self.t_embedder(t) # (N, D) y_defect = self.y_embedders(torch.cat([y[0][0], y[1][0], y[2][0]], dim=0)) y_class = self.y_embedders(torch.cat([y[0][1], y[1][1], y[2][1]], dim=0)) # (N, D) y_all = self.y_embedders(torch.cat([y[0][2], y[1][2], y[2][2]], dim=0)) att_map = [] att_loss = 0 for i in range(28): block = self.blocks[i] if i < 10: c = t + y_class x = block(x, c) # (N, T, D) elif i < 20: cross = self.cross_defect[i - 10] c = t + y_defect shift_msa, scale_msa, gate_msa, shift_mlp, scale_mlp, gate_mlp = block.adaLN_modulation(c).chunk(6, dim=1) x = x + gate_msa.unsqueeze(1) * block.attn(modulate(block.norm1(x), shift_msa, scale_msa)) cross_att, att_weight = cross(x, c) att_map.append(att_weight) att_loss += att_weight x = x + cross_att x = x + gate_mlp.unsqueeze(1) * block.mlp(modulate(block.norm2(x), shift_mlp, scale_mlp)) elif i < 28: c = t + y_all x = block(x, c) x = self.final_layer(x, c) # (N, T, patch_size ** 2 * out_channels) x = self.unpatchify(x) # (N, out_channels, H, W) att_map = torch.cat(att_map, dim=-1) att_mask = self.adapt_mask(att_map) return x, att_mask, att_loss def forward_with_cfg_3(self, x, t, y, cfg_scale): """ Forward pass of DiT, but also batches the unconditional forward pass for classifier-free guidance. """ # https://github.com/openai/glide-text2im/blob/main/notebooks/text2im.ipynb half = x[: len(x) // 3] combined = torch.cat([half, half, half], dim=0) model_out, mask, _ = self.forward_free_3(combined, t, y) # For exact reproducibility reasons, we apply classifier-free guidance on only # three channels by default. The standard approach to cfg applies it to all channels. # This can be done by uncommenting the following line and commenting-out the line following that. # eps, rest = model_out[:, :self.in_channels], model_out[:, self.in_channels:] eps, rest = model_out[:, :3], model_out[:, 3:] cond_eps, uncond_eps_defect, uncond_eps = torch.split(eps, len(eps) // 3, dim=0) half_eps = uncond_eps + cfg_scale * (cond_eps - uncond_eps_defect) + cfg_scale * (uncond_eps_defect - uncond_eps) eps = torch.cat([half_eps, half_eps, half_eps], dim=0) return torch.cat([eps, rest], dim=1), mask, _ ################################################################################# # Sine/Cosine Positional Embedding Functions # ################################################################################# # https://github.com/facebookresearch/mae/blob/main/util/pos_embed.py def get_2d_sincos_pos_embed(embed_dim, grid_size, cls_token=False, extra_tokens=0): """ grid_size: int of the grid height and width return: pos_embed: [grid_size*grid_size, embed_dim] or [1+grid_size*grid_size, embed_dim] (w/ or w/o cls_token) """ grid_h = np.arange(grid_size, dtype=np.float32) grid_w = np.arange(grid_size, dtype=np.float32) grid = np.meshgrid(grid_w, grid_h) # here w goes first grid = np.stack(grid, axis=0) grid = grid.reshape([2, 1, grid_size, grid_size]) pos_embed = get_2d_sincos_pos_embed_from_grid(embed_dim, grid) if cls_token and extra_tokens > 0: pos_embed = np.concatenate([np.zeros([extra_tokens, embed_dim]), pos_embed], axis=0) return pos_embed def get_2d_sincos_pos_embed_from_grid(embed_dim, grid): assert embed_dim % 2 == 0 # use half of dimensions to encode grid_h emb_h = get_1d_sincos_pos_embed_from_grid(embed_dim // 2, grid[0]) # (H*W, D/2) emb_w = get_1d_sincos_pos_embed_from_grid(embed_dim // 2, grid[1]) # (H*W, D/2) emb = np.concatenate([emb_h, emb_w], axis=1) # (H*W, D) return emb def get_1d_sincos_pos_embed_from_grid(embed_dim, pos): """ embed_dim: output dimension for each position pos: a list of positions to be encoded: size (M,) out: (M, D) """ assert embed_dim % 2 == 0 omega = np.arange(embed_dim // 2, dtype=np.float64) omega /= embed_dim / 2. omega = 1. / 10000**omega # (D/2,) pos = pos.reshape(-1) # (M,) out = np.einsum('m,d->md', pos, omega) # (M, D/2), outer product emb_sin = np.sin(out) # (M, D/2) emb_cos = np.cos(out) # (M, D/2) emb = np.concatenate([emb_sin, emb_cos], axis=1) # (M, D) return emb