File size: 14,869 Bytes
256c9c2 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 | """
Denoising Diffusion Probabilistic Models β U-Net Noise Prediction Network
Paper: https://arxiv.org/abs/2006.11239
Authors: Ho, Jain, Abbeel (2020)
Implements: U-Net architecture for noise prediction Ξ΅_ΞΈ(x_t, t)
The U-Net is adapted from PixelCNN++ (Salimans et al., 2017) and the architecture
used in score matching (Song & Ermon, 2019). It is NOT the paper's core contribution
but is required as the backbone for the diffusion process.
Section references:
Β§3.3 β "The neural network... is similar to an unmasked PixelCNN++ with
group normalization and self-attention"
Appendix B β Architecture details (channel counts, attention resolutions)
NOTE: This U-Net implementation follows the architecture from the official code
(github.com/hojonathanho/diffusion) since the paper describes it only briefly
in Β§3.3 and Appendix B. Many details are [FROM_OFFICIAL_CODE].
"""
import math
from dataclasses import dataclass
from typing import List, Optional
import torch
import torch.nn as nn
import torch.nn.functional as F
# ---------------------------------------------------------------------------
# Configuration
# ---------------------------------------------------------------------------
@dataclass
class UNetConfig:
"""U-Net configuration.
Values from Appendix B (CIFAR-10 config) and official code unless marked.
"""
image_channels: int = 3 # Β§4 β RGB images
base_channels: int = 128 # Appendix B β "128 base channels"
channel_mults: tuple = (1, 2, 2, 2) # [FROM_OFFICIAL_CODE] β channel multipliers per level
num_res_blocks: int = 2 # [FROM_OFFICIAL_CODE] β residual blocks per resolution level
attention_resolutions: tuple = (16,) # Appendix B β "attention at 16Γ16 resolution"
dropout: float = 0.0 # Appendix B β "dropout 0.0" for CIFAR-10
time_embed_dim: int = 512 # [FROM_OFFICIAL_CODE] β 4 * base_channels
num_groups: int = 32 # [FROM_OFFICIAL_CODE] β groups for GroupNorm
image_size: int = 32 # CIFAR-10 is 32Γ32
# ---------------------------------------------------------------------------
# Time embedding β sinusoidal (borrowed from Transformer positional encoding)
# ---------------------------------------------------------------------------
class SinusoidalTimeEmbedding(nn.Module):
"""Sinusoidal timestep embedding, following the Transformer positional encoding.
Β§3.3 β "The diffusion time t is specified by adding the Transformer
sinusoidal position embedding into each residual block."
[FROM_OFFICIAL_CODE] The embedding dimension and MLP projection follow
the official implementation.
"""
def __init__(self, embed_dim: int):
super().__init__()
self.embed_dim = embed_dim
def forward(self, t: torch.Tensor) -> torch.Tensor:
"""
Args:
t: (batch,) β integer timesteps
Returns:
(batch, embed_dim) β sinusoidal embedding
"""
half_dim = self.embed_dim // 2
emb = math.log(10000.0) / (half_dim - 1)
emb = torch.exp(torch.arange(half_dim, device=t.device, dtype=torch.float32) * -emb)
emb = t.float().unsqueeze(1) * emb.unsqueeze(0) # (batch, half_dim)
emb = torch.cat([torch.sin(emb), torch.cos(emb)], dim=-1) # (batch, embed_dim)
return emb
# ---------------------------------------------------------------------------
# Building blocks
# ---------------------------------------------------------------------------
class ResidualBlock(nn.Module):
"""Residual block with time embedding conditioning.
Β§3.3 β "group normalization throughout... Transformer sinusoidal position
embedding into each residual block"
[FROM_OFFICIAL_CODE] Structure: GroupNorm -> SiLU -> Conv -> GroupNorm -> SiLU -> Dropout -> Conv + residual
"""
def __init__(
self,
in_channels: int,
out_channels: int,
time_embed_dim: int,
dropout: float = 0.0,
num_groups: int = 32,
):
super().__init__()
self.norm1 = nn.GroupNorm(num_groups, in_channels)
self.conv1 = nn.Conv2d(in_channels, out_channels, kernel_size=3, padding=1)
# Time embedding projection
self.time_proj = nn.Linear(time_embed_dim, out_channels)
self.norm2 = nn.GroupNorm(num_groups, out_channels)
self.dropout = nn.Dropout(dropout)
self.conv2 = nn.Conv2d(out_channels, out_channels, kernel_size=3, padding=1)
# Skip connection (1x1 conv if channel count changes)
if in_channels != out_channels:
self.skip = nn.Conv2d(in_channels, out_channels, kernel_size=1)
else:
self.skip = nn.Identity()
def forward(self, x: torch.Tensor, t_emb: torch.Tensor) -> torch.Tensor:
"""
Args:
x: (batch, in_channels, H, W)
t_emb: (batch, time_embed_dim)
Returns:
(batch, out_channels, H, W)
"""
h = self.norm1(x)
h = F.silu(h) # (batch, in_channels, H, W)
h = self.conv1(h) # (batch, out_channels, H, W)
# Add time embedding
t = self.time_proj(F.silu(t_emb)) # (batch, out_channels)
h = h + t.unsqueeze(-1).unsqueeze(-1) # (batch, out_channels, H, W) β broadcast
h = self.norm2(h)
h = F.silu(h)
h = self.dropout(h)
h = self.conv2(h) # (batch, out_channels, H, W)
return h + self.skip(x) # residual connection
class AttentionBlock(nn.Module):
"""Self-attention block for the U-Net.
Β§3.3 β "self-attention... at the 16Γ16 feature map resolution"
Appendix B β "We add one head of self-attention at the 16Γ16 resolution"
[FROM_OFFICIAL_CODE] Uses a single attention head with GroupNorm.
"""
def __init__(self, channels: int, num_groups: int = 32):
super().__init__()
self.norm = nn.GroupNorm(num_groups, channels)
self.qkv = nn.Conv1d(channels, channels * 3, kernel_size=1)
self.proj = nn.Conv1d(channels, channels, kernel_size=1)
def forward(self, x: torch.Tensor) -> torch.Tensor:
"""
Args:
x: (batch, channels, H, W)
Returns:
(batch, channels, H, W)
"""
batch, channels, h, w = x.shape
residual = x
x = self.norm(x)
x = x.view(batch, channels, h * w) # (batch, channels, H*W)
qkv = self.qkv(x) # (batch, 3*channels, H*W)
q, k, v = qkv.chunk(3, dim=1) # each: (batch, channels, H*W)
# Scaled dot-product attention
scale = 1.0 / math.sqrt(channels)
attn = torch.bmm(q.transpose(1, 2), k) * scale # (batch, H*W, H*W)
attn = F.softmax(attn, dim=-1)
out = torch.bmm(v, attn.transpose(1, 2)) # (batch, channels, H*W)
out = self.proj(out) # (batch, channels, H*W)
out = out.view(batch, channels, h, w) # (batch, channels, H, W)
return out + residual
class Downsample(nn.Module):
"""Spatial downsampling by factor 2. [FROM_OFFICIAL_CODE]"""
def __init__(self, channels: int):
super().__init__()
self.conv = nn.Conv2d(channels, channels, kernel_size=3, stride=2, padding=1)
def forward(self, x: torch.Tensor) -> torch.Tensor:
return self.conv(x) # (batch, C, H, W) -> (batch, C, H/2, W/2)
class Upsample(nn.Module):
"""Spatial upsampling by factor 2. [FROM_OFFICIAL_CODE]"""
def __init__(self, channels: int):
super().__init__()
self.conv = nn.Conv2d(channels, channels, kernel_size=3, padding=1)
def forward(self, x: torch.Tensor) -> torch.Tensor:
x = F.interpolate(x, scale_factor=2, mode="nearest")
return self.conv(x) # (batch, C, H, W) -> (batch, C, 2H, 2W)
# ---------------------------------------------------------------------------
# Β§3.3 β Full U-Net
# ---------------------------------------------------------------------------
class UNet(nn.Module):
"""Β§3.3, Appendix B β U-Net noise prediction network Ξ΅_ΞΈ(x_t, t).
"We use a U-Net backbone similar to an unmasked PixelCNN++ with
group normalization throughout, and we add one head of self-attention
at the 16Γ16 feature map resolution."
The U-Net takes a noisy image x_t and a timestep t, and predicts the
noise Ξ΅ that was added. This is NOT the paper's core contribution β
it is the backbone model that enables the diffusion process.
Architecture (for CIFAR-10 32Γ32):
Down: 32β32β16β8β4 (with skip connections)
Middle: bottleneck with attention
Up: 4β8β16β32β32 (with skip connections from down path)
"""
def __init__(self, config: UNetConfig):
super().__init__()
self.config = config
ch = config.base_channels
# Time embedding: sinusoidal -> MLP
# Β§3.3 β "Transformer sinusoidal position embedding"
time_embed_dim = config.time_embed_dim
self.time_embed = nn.Sequential(
SinusoidalTimeEmbedding(ch),
nn.Linear(ch, time_embed_dim),
nn.SiLU(),
nn.Linear(time_embed_dim, time_embed_dim),
)
# Initial convolution
self.input_conv = nn.Conv2d(config.image_channels, ch, kernel_size=3, padding=1)
# Downsampling path
self.down_blocks = nn.ModuleList()
self.down_samples = nn.ModuleList()
channels = [ch]
current_res = config.image_size
in_ch = ch
for level, mult in enumerate(config.channel_mults):
out_ch = ch * mult
for _ in range(config.num_res_blocks):
layers = [ResidualBlock(in_ch, out_ch, time_embed_dim,
config.dropout, config.num_groups)]
if current_res in config.attention_resolutions:
layers.append(AttentionBlock(out_ch, config.num_groups))
self.down_blocks.append(nn.ModuleList(layers))
channels.append(out_ch)
in_ch = out_ch
if level < len(config.channel_mults) - 1:
self.down_samples.append(Downsample(out_ch))
channels.append(out_ch)
current_res //= 2
else:
self.down_samples.append(nn.Identity())
# Middle (bottleneck)
self.mid_block1 = ResidualBlock(in_ch, in_ch, time_embed_dim,
config.dropout, config.num_groups)
self.mid_attn = AttentionBlock(in_ch, config.num_groups)
self.mid_block2 = ResidualBlock(in_ch, in_ch, time_embed_dim,
config.dropout, config.num_groups)
# Upsampling path
self.up_blocks = nn.ModuleList()
self.up_samples = nn.ModuleList()
for level in reversed(range(len(config.channel_mults))):
mult = config.channel_mults[level]
out_ch = ch * mult
for i in range(config.num_res_blocks + 1):
skip_ch = channels.pop()
layers = [ResidualBlock(in_ch + skip_ch, out_ch, time_embed_dim,
config.dropout, config.num_groups)]
if current_res in config.attention_resolutions:
layers.append(AttentionBlock(out_ch, config.num_groups))
self.up_blocks.append(nn.ModuleList(layers))
in_ch = out_ch
if level > 0:
self.up_samples.append(Upsample(out_ch))
current_res *= 2
else:
self.up_samples.append(nn.Identity())
# Output
self.output_norm = nn.GroupNorm(config.num_groups, in_ch)
self.output_conv = nn.Conv2d(in_ch, config.image_channels, kernel_size=3, padding=1)
# [UNSPECIFIED] Zero-initialize the final conv (from official code)
nn.init.zeros_(self.output_conv.weight)
nn.init.zeros_(self.output_conv.bias)
def forward(self, x: torch.Tensor, t: torch.Tensor) -> torch.Tensor:
"""Predict noise Ξ΅_ΞΈ(x_t, t).
Args:
x: (batch, C, H, W) β noisy image x_t
t: (batch,) β integer timesteps
Returns:
(batch, C, H, W) β predicted noise Ξ΅_ΞΈ
"""
# Time embedding
t_emb = self.time_embed(t) # (batch, time_embed_dim)
# Initial conv
h = self.input_conv(x) # (batch, base_channels, H, W)
# Downsampling with skip connections
skips = [h]
block_idx = 0
for level in range(len(self.config.channel_mults)):
for _ in range(self.config.num_res_blocks):
layers = self.down_blocks[block_idx]
h = layers[0](h, t_emb) # ResidualBlock
if len(layers) > 1:
h = layers[1](h) # AttentionBlock (if present)
skips.append(h)
block_idx += 1
h = self.down_samples[level](h)
if not isinstance(self.down_samples[level], nn.Identity):
skips.append(h)
# Middle
h = self.mid_block1(h, t_emb)
h = self.mid_attn(h)
h = self.mid_block2(h, t_emb)
# Upsampling with skip connections
block_idx = 0
for level in reversed(range(len(self.config.channel_mults))):
for _ in range(self.config.num_res_blocks + 1):
skip = skips.pop()
h = torch.cat([h, skip], dim=1) # Concatenate skip connection
layers = self.up_blocks[block_idx]
h = layers[0](h, t_emb) # ResidualBlock
if len(layers) > 1:
h = layers[1](h) # AttentionBlock (if present)
block_idx += 1
h = self.up_samples[level - len(self.config.channel_mults)](h) if level > 0 else h
# Output
h = self.output_norm(h)
h = F.silu(h)
return self.output_conv(h) # (batch, C, H, W) β predicted noise
def __repr__(self) -> str:
total_params = sum(p.numel() for p in self.parameters())
trainable_params = sum(p.numel() for p in self.parameters() if p.requires_grad)
return (
f"UNet(\n"
f" image_size={self.config.image_size}, base_channels={self.config.base_channels},\n"
f" channel_mults={self.config.channel_mults}, num_res_blocks={self.config.num_res_blocks},\n"
f" total_params={total_params:,},\n"
f" trainable_params={trainable_params:,}\n"
f")"
)
|