import torch import torch.nn as nn import numpy as np import math from functools import partial from timm.models.vision_transformer import PatchEmbed, Attention, Mlp import math 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. """ 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 = t.to(next(self.parameters()).device) t_freq = self.timestep_embedding(t, self.frequency_embedding_size) t_freq = t_freq.to(next(self.parameters()).device) t_emb = self.mlp(t_freq) t_emb = t_emb.to(next(self.parameters()).device) return t_emb ################################################################################# # Core DiT Model # ################################################################################# 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[0] * patch_size[1] * 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 DiT(nn.Module): """ Diffusion model with a Transformer backbone. """ def __init__( self, input_size=(32, 32), patch_size=(2, 2), in_channels=4, hidden_size=1152, depth=28, num_heads=16, mlp_ratio=4.0, class_dropout_prob=0.1, num_classes=None, 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.hidden_size = hidden_size self.x_embedder = PatchEmbed( img_size=input_size, patch_size=patch_size, in_chans=in_channels, embed_dim=hidden_size, bias=True ) self.t_embedder = TimestepEmbedder(hidden_size) num_patches = self.x_embedder.num_patches # 将使用固定的 sin-cos 位置嵌入 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.final_layer = FinalLayer(hidden_size, patch_size, self.out_channels) self.initialize_weights() # 如果 num_classes 不为 None,才初始化 y_embedder if num_classes is not None: self.y_embedder = LabelEmbedder(num_classes, hidden_size, class_dropout_prob) else: self.y_embedder = None def initialize_weights(self): # 初始化 Transformer 层 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) # 获取网格尺寸用于位置嵌入 grid_size_h, grid_size_w = self.x_embedder.grid_size pos_embed = get_2d_sincos_pos_embed(self.pos_embed.shape[-1], (grid_size_h, grid_size_w)) self.pos_embed.data.copy_(torch.from_numpy(pos_embed).float().unsqueeze(0)) # 初始化 patch_embed,如同 nn.Linear(而不是 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) # 初始化时间步嵌入 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) # 将 DiT 块中的 adaLN 调制层初始化为零 for block in self.blocks: nn.init.constant_(block.adaLN_modulation[-1].weight, 0) nn.init.constant_(block.adaLN_modulation[-1].bias, 0) # 将输出层初始化为零 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[0]*patch_size[1]*C) imgs: (N, H, W, C) """ c = self.out_channels p_h, p_w = self.x_embedder.patch_size # 元组 h_patches, w_patches = self.x_embedder.grid_size assert h_patches * w_patches == x.shape[1], "Mismatch in number of patches" x = x.reshape(shape=(x.shape[0], h_patches, w_patches, p_h, p_w, c)) x = torch.einsum('nhwpqc->nchpwq', x) imgs = x.reshape(shape=(x.shape[0], c, h_patches * p_h, w_patches * p_w)) return imgs def forward(self, x, t, y=None): """ Forward pass of DiT. x: (N, C, H, W) tensor of spatial inputs t: (N,) tensor of diffusion timesteps y: (N,) tensor of class labels or None """ x = self.x_embedder(x) + self.pos_embed # (N, T, D),其中 T = H * W / (patch_size[0] * patch_size[1]) t = self.t_embedder(t) # (N, D) if self.y_embedder is not None and y is not None: y = self.y_embedder(y, self.training) # (N, D) c = t + y # (N, D) else: c = t # (N, D) for block in self.blocks: x = block(x, c) # (N, T, D) x = self.final_layer(x, c) # (N, T, patch_size[0] * patch_size[1] * out_channels) x = self.unpatchify(x) # (N, out_channels, H, W) return x def forward_with_cfg(self, x, t, y, cfg_scale): """ Forward pass of DiT with classifier-free guidance. """ half = x[: len(x) // 2] combined = torch.cat([half, half], dim=0) model_out = self.forward(combined, t, y) eps, rest = model_out[:, :self.in_channels], model_out[:, self.in_channels:] 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) ################################################################################# # Sine/Cosine Positional Embedding Functions # ################################################################################# def get_2d_sincos_pos_embed(embed_dim, grid_size, cls_token=False, extra_tokens=0): """ grid_size: (grid_size_h, grid_size_w) return: pos_embed: [grid_size_h*grid_size_w, embed_dim] 或 [1+grid_size_h*grid_size_w, embed_dim] """ grid_h = np.arange(grid_size[0], dtype=np.float32) grid_w = np.arange(grid_size[1], dtype=np.float32) grid = np.meshgrid(grid_w, grid_h) # 这里 w 先行 grid = np.stack(grid, axis=0) grid = grid.reshape([2, grid_size[0] * grid_size[1]]) 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 # 使用一半的维度来编码 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: 每个位置的输出维度 pos: 要编码的位置列表:大小 (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) 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 ################################################################################# # Other Components # ################################################################################# def stride_generator(N, reverse=False): strides = [1, 2]*10 if reverse: return list(reversed(strides[:N])) else: return strides[:N] class ConvSC(nn.Module): def __init__(self, in_channels, out_channels, stride=1, transpose=False): super(ConvSC, self).__init__() if transpose: self.conv = nn.ConvTranspose2d(in_channels, out_channels, kernel_size=3, stride=stride, padding=1, output_padding=stride-1) else: self.conv = nn.Conv2d(in_channels, out_channels, kernel_size=3, stride=stride, padding=1) self.norm = nn.BatchNorm2d(out_channels) self.act = nn.GELU() def forward(self, x): return self.act(self.norm(self.conv(x))) class Inception(nn.Module): def __init__(self, in_channels, hidden_channels, out_channels, incep_ker=[3,5,7,11], groups=4): super(Inception, self).__init__() self.branch1 = nn.Conv2d(in_channels, hidden_channels, kernel_size=1) self.branch2 = nn.Conv2d(in_channels, hidden_channels, kernel_size=incep_ker[0], padding=incep_ker[0]//2, groups=groups) self.branch3 = nn.Conv2d(in_channels, hidden_channels, kernel_size=incep_ker[1], padding=incep_ker[1]//2, groups=groups) self.branch4 = nn.Conv2d(in_channels, hidden_channels, kernel_size=incep_ker[2], padding=incep_ker[2]//2, groups=groups) self.branch5 = nn.Conv2d(in_channels, hidden_channels, kernel_size=incep_ker[3], padding=incep_ker[3]//2, groups=groups) self.conv = nn.Conv2d(hidden_channels * 5, out_channels, kernel_size=1) self.norm = nn.BatchNorm2d(out_channels) self.act = nn.GELU() def forward(self, x): x1 = self.branch1(x) x2 = self.branch2(x) x3 = self.branch3(x) x4 = self.branch4(x) x5 = self.branch5(x) x = torch.cat([x1, x2, x3, x4, x5], dim=1) x = self.conv(x) x = self.act(self.norm(x)) return x class Encoder(nn.Module): def __init__(self, C_in, C_hid, N_S): super(Encoder, self).__init__() strides = stride_generator(N_S) layers = [ConvSC(C_in, C_hid, stride=strides[0])] for s in strides[1:]: layers.append(ConvSC(C_hid, C_hid, stride=s)) self.enc = nn.Sequential(*layers) def forward(self, x): skips = [] for layer in self.enc: x = layer(x) skips.append(x) return x, skips # 返回所有的 skips class Decoder(nn.Module): def __init__(self, C_hid, C_out, N_S): super(Decoder, self).__init__() strides = stride_generator(N_S, reverse=True) layers = [] for s in strides[:-1]: layers.append(ConvSC(C_hid, C_hid, stride=s, transpose=True)) layers.append(ConvSC(2*C_hid, C_hid, stride=strides[-1], transpose=True)) self.dec = nn.Sequential(*layers) self.readout = nn.Conv2d(C_hid, C_out, 1) def forward(self, hid, skip): for i in range(len(self.dec)-1): hid = self.dec[i](hid) hid = self.dec[-1](torch.cat([hid, skip], dim=1)) return self.readout(hid) class Temporal_evo(nn.Module): def __init__(self, channel_in, channel_hid, N_T, h, w, incep_ker=[3, 5, 7, 11], groups=8): super(Temporal_evo, self).__init__() self.N_T = N_T enc_layers = [Inception(channel_in, channel_hid // 2, channel_hid, incep_ker=incep_ker, groups=groups)] for _ in range(1, N_T - 1): enc_layers.append(Inception(channel_hid, channel_hid // 2, channel_hid, incep_ker=incep_ker, groups=groups)) enc_layers.append(Inception(channel_hid, channel_hid // 2, channel_hid, incep_ker=incep_ker, groups=groups)) dec_layers = [Inception(channel_hid, channel_hid // 2, channel_hid, incep_ker=incep_ker, groups=groups)] for _ in range(1, N_T - 1): dec_layers.append(Inception(2 * channel_hid, channel_hid // 2, channel_hid, incep_ker=incep_ker, groups=groups)) dec_layers.append(Inception(2 * channel_hid, channel_hid // 2, channel_in, incep_ker=incep_ker, groups=groups)) norm_layer = partial(nn.LayerNorm, eps=1e-6) self.norm = norm_layer(channel_hid) self.enc = nn.Sequential(*enc_layers) self.dec = nn.Sequential(*dec_layers) def forward(self, x): B, T, C, H, W = x.shape x = x.reshape(B, T * C, H, W) # Downsampling skips = [] for i in range(self.N_T): x = self.enc[i](x) if i < self.N_T - 1: skips.append(x) # Upsampling x = self.dec[0](x) for i in range(1, self.N_T): x = self.dec[i](torch.cat([x, skips[-i]], dim=1)) x = x.reshape(B, T, C, H, W) return x class Dit(nn.Module): def __init__(self, shape_in, hid_S=32, hid_T=64, N_S=4, N_T=8, time_step=1000, incep_ker=[3,5,7,11], groups=4, in_time_seq_length=10, out_time_seq_length=10): super(Dit, self).__init__() B, T, C, H, W = shape_in strides = stride_generator(N_S) num_stride2_layers = strides[:N_S].count(2) self.downsample_factor = 2 ** num_stride2_layers self.H1 = H // self.downsample_factor self.W1 = W // self.downsample_factor self.in_time_seq_length = in_time_seq_length self.out_time_seq_length = out_time_seq_length self.enc = Encoder(C, hid_S, N_S) self.hid = Temporal_evo(T*hid_S, hid_T, N_T, self.H1, self.W1, incep_ker, groups) self.dit_block = DiT( input_size=(self.H1, self.W1), patch_size=(1, 1), # Changed patch_size to (1, 1) in_channels=T*hid_S, hidden_size=256, depth=12, num_heads=2, mlp_ratio=4.0, class_dropout_prob=0.0, num_classes=None, learn_sigma=False, ) self.dec = Decoder(hid_S, C, N_S) self.time_step = torch.randint(0, time_step, (B,)) def forward(self, x_raw): B, T, C, H, W = x_raw.shape x = x_raw.view(B*T, C, H, W) embed, skips = self.enc(x) skip = skips[0] _, C_, H_, W_ = embed.shape z = embed.view(B, T, C_, H_, W_) bias = z.reshape(B, T*C_, H_, W_) bias_hid = self.dit_block(bias, self.time_step) hid = bias_hid.reshape(B*T, C_, H_, W_) # Now the dimensions should match Y = self.dec(hid, skip) Y = Y.reshape(B, T, -1, H, W) return Y if __name__ == '__main__': inputs = torch.randn(1, 10, 2, 64, 448) model = Dit(shape_in=(1, 10, 2, 64, 448)) output = model(inputs) print('inputs shape:', inputs.shape) print('output shape:', output.shape)