Upload ProDiff/Experiments/trajectory_exp_temporal_split_TKY_temporal_len3_ddpm_20250724-101259/code_snapshot/Diffusion.py with huggingface_hub
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ProDiff/Experiments/trajectory_exp_temporal_split_TKY_temporal_len3_ddpm_20250724-101259/code_snapshot/Diffusion.py
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|
| 1 |
+
import math
|
| 2 |
+
import torch
|
| 3 |
+
import torch.nn as nn
|
| 4 |
+
import numpy as np
|
| 5 |
+
import torch.nn.functional as F
|
| 6 |
+
|
| 7 |
+
def get_timestep_embedding(timesteps, embedding_dim):
|
| 8 |
+
"""Build sinusoidal timestep embeddings.
|
| 9 |
+
|
| 10 |
+
Args:
|
| 11 |
+
timesteps (torch.Tensor): A 1-D Tensor of N timesteps.
|
| 12 |
+
embedding_dim (int): The dimension of the embedding.
|
| 13 |
+
|
| 14 |
+
Returns:
|
| 15 |
+
torch.Tensor: N x embedding_dim Tensor of positional embeddings.
|
| 16 |
+
"""
|
| 17 |
+
assert len(timesteps.shape) == 1
|
| 18 |
+
|
| 19 |
+
half_dim = embedding_dim // 2
|
| 20 |
+
emb = np.log(10000) / (half_dim - 1)
|
| 21 |
+
emb = torch.exp(torch.arange(half_dim, dtype=torch.float32) * -emb)
|
| 22 |
+
emb = emb.cuda() # Move embedding to CUDA device
|
| 23 |
+
emb = timesteps.float()[:, None] * emb[None, :]
|
| 24 |
+
emb = torch.cat([torch.sin(emb), torch.cos(emb)], dim=1)
|
| 25 |
+
if embedding_dim % 2 == 1: # Zero pad if embedding_dim is odd
|
| 26 |
+
emb = torch.nn.functional.pad(emb, (0, 1, 0, 0))
|
| 27 |
+
return emb
|
| 28 |
+
|
| 29 |
+
class Attention(nn.Module):
|
| 30 |
+
"""A simple attention layer to get weights for attributes."""
|
| 31 |
+
def __init__(self, embedding_dim):
|
| 32 |
+
super(Attention, self).__init__()
|
| 33 |
+
self.fc = nn.Linear(embedding_dim, 1)
|
| 34 |
+
|
| 35 |
+
def forward(self, x):
|
| 36 |
+
# x shape: (batch_size, num_attributes, embedding_dim)
|
| 37 |
+
weights = self.fc(x) # shape: (batch_size, num_attributes, 1)
|
| 38 |
+
# Apply softmax along the attributes dimension to get attention weights.
|
| 39 |
+
weights = F.softmax(weights, dim=1)
|
| 40 |
+
return weights
|
| 41 |
+
|
| 42 |
+
class WideAndDeep(nn.Module):
|
| 43 |
+
"""Network to combine attribute (start/end points) and prototype embeddings."""
|
| 44 |
+
def __init__(self, in_channels, embedding_dim=512):
|
| 45 |
+
super(WideAndDeep, self).__init__()
|
| 46 |
+
|
| 47 |
+
# Process start point and end point independently
|
| 48 |
+
self.start_fc1 = nn.Linear(in_channels, embedding_dim)
|
| 49 |
+
self.start_fc2 = nn.Linear(embedding_dim, embedding_dim)
|
| 50 |
+
|
| 51 |
+
self.end_fc1 = nn.Linear(in_channels, embedding_dim)
|
| 52 |
+
self.end_fc2 = nn.Linear(embedding_dim, embedding_dim)
|
| 53 |
+
|
| 54 |
+
# Process prototype features
|
| 55 |
+
self.prototype_fc1 = nn.Linear(512, embedding_dim)
|
| 56 |
+
self.prototype_fc2 = nn.Linear(embedding_dim, embedding_dim)
|
| 57 |
+
|
| 58 |
+
self.relu = nn.ReLU()
|
| 59 |
+
|
| 60 |
+
def forward(self, attr, prototype):
|
| 61 |
+
# attr shape: (batch_size, num_features, traj_length)
|
| 62 |
+
# prototype shape: (batch_size, prototype_embedding_dim) - assuming N_CLUSTER is handled before or it's single prototype
|
| 63 |
+
start_point = attr[:, :, 0].float() # First point in trajectory features
|
| 64 |
+
end_point = attr[:, :, -1].float() # Last point in trajectory features
|
| 65 |
+
|
| 66 |
+
# Process start point features
|
| 67 |
+
start_x = self.start_fc1(start_point)
|
| 68 |
+
start_x = self.relu(start_x)
|
| 69 |
+
start_embed = self.start_fc2(start_x)
|
| 70 |
+
|
| 71 |
+
# Process end point features
|
| 72 |
+
end_x = self.end_fc1(end_point)
|
| 73 |
+
end_x = self.relu(end_x)
|
| 74 |
+
end_embed = self.end_fc2(end_x)
|
| 75 |
+
|
| 76 |
+
# Combine the processed start and end point features
|
| 77 |
+
attr_embed = start_embed + end_embed
|
| 78 |
+
|
| 79 |
+
# Process prototype features
|
| 80 |
+
proto_x = self.prototype_fc1(prototype)
|
| 81 |
+
proto_x = self.relu(proto_x)
|
| 82 |
+
proto_embed = self.prototype_fc2(proto_x)
|
| 83 |
+
|
| 84 |
+
# Combine the processed attribute and prototype features
|
| 85 |
+
combined_embed = attr_embed + proto_embed # Simple addition for combination
|
| 86 |
+
|
| 87 |
+
return combined_embed
|
| 88 |
+
|
| 89 |
+
|
| 90 |
+
def nonlinearity(x):
|
| 91 |
+
# Swish activation function (SiLU)
|
| 92 |
+
return x * torch.sigmoid(x)
|
| 93 |
+
|
| 94 |
+
def Normalize(in_channels):
|
| 95 |
+
"""Group normalization."""
|
| 96 |
+
return torch.nn.GroupNorm(num_groups=32,
|
| 97 |
+
num_channels=in_channels,
|
| 98 |
+
eps=1e-6,
|
| 99 |
+
affine=True)
|
| 100 |
+
|
| 101 |
+
class Upsample(nn.Module):
|
| 102 |
+
"""Upsampling layer, optionally with a 1D convolution."""
|
| 103 |
+
def __init__(self, in_channels, with_conv=True):
|
| 104 |
+
super().__init__()
|
| 105 |
+
self.with_conv = with_conv
|
| 106 |
+
if self.with_conv:
|
| 107 |
+
self.conv = torch.nn.Conv1d(in_channels,
|
| 108 |
+
in_channels,
|
| 109 |
+
kernel_size=3,
|
| 110 |
+
stride=1,
|
| 111 |
+
padding=1)
|
| 112 |
+
|
| 113 |
+
def forward(self, x):
|
| 114 |
+
x = torch.nn.functional.interpolate(x,
|
| 115 |
+
scale_factor=2.0,
|
| 116 |
+
mode="nearest") # Upsample using nearest neighbor
|
| 117 |
+
if self.with_conv:
|
| 118 |
+
x = self.conv(x)
|
| 119 |
+
return x
|
| 120 |
+
|
| 121 |
+
|
| 122 |
+
class Downsample(nn.Module):
|
| 123 |
+
"""Downsampling layer, optionally with a 1D convolution."""
|
| 124 |
+
def __init__(self, in_channels, with_conv=True):
|
| 125 |
+
super().__init__()
|
| 126 |
+
self.with_conv = with_conv
|
| 127 |
+
if self.with_conv:
|
| 128 |
+
# No asymmetric padding in torch.nn.Conv1d, must do it ourselves via F.pad.
|
| 129 |
+
self.conv = torch.nn.Conv1d(in_channels,
|
| 130 |
+
in_channels,
|
| 131 |
+
kernel_size=3,
|
| 132 |
+
stride=2,
|
| 133 |
+
padding=0)
|
| 134 |
+
|
| 135 |
+
def forward(self, x):
|
| 136 |
+
if self.with_conv:
|
| 137 |
+
pad = (1, 1) # Padding for kernel_size=3, stride=2 to maintain roughly half size
|
| 138 |
+
x = torch.nn.functional.pad(x, pad, mode="constant", value=0)
|
| 139 |
+
x = self.conv(x)
|
| 140 |
+
else:
|
| 141 |
+
x = torch.nn.functional.avg_pool2d(x, kernel_size=2, stride=2) # Avg pool if no conv
|
| 142 |
+
return x
|
| 143 |
+
|
| 144 |
+
|
| 145 |
+
class ResnetBlock(nn.Module):
|
| 146 |
+
"""Residual block for the U-Net."""
|
| 147 |
+
def __init__(self,
|
| 148 |
+
in_channels,
|
| 149 |
+
out_channels=None,
|
| 150 |
+
conv_shortcut=False,
|
| 151 |
+
dropout=0.1,
|
| 152 |
+
temb_channels=512):
|
| 153 |
+
super().__init__()
|
| 154 |
+
self.in_channels = in_channels
|
| 155 |
+
out_channels = in_channels if out_channels is None else out_channels
|
| 156 |
+
self.out_channels = out_channels
|
| 157 |
+
self.use_conv_shortcut = conv_shortcut
|
| 158 |
+
|
| 159 |
+
self.norm1 = Normalize(in_channels)
|
| 160 |
+
self.conv1 = torch.nn.Conv1d(in_channels,
|
| 161 |
+
out_channels,
|
| 162 |
+
kernel_size=3,
|
| 163 |
+
stride=1,
|
| 164 |
+
padding=1)
|
| 165 |
+
self.temb_proj = torch.nn.Linear(temb_channels, out_channels)
|
| 166 |
+
self.norm2 = Normalize(out_channels)
|
| 167 |
+
self.dropout = torch.nn.Dropout(dropout)
|
| 168 |
+
self.conv2 = torch.nn.Conv1d(out_channels,
|
| 169 |
+
out_channels,
|
| 170 |
+
kernel_size=3,
|
| 171 |
+
stride=1,
|
| 172 |
+
padding=1)
|
| 173 |
+
if self.in_channels != self.out_channels:
|
| 174 |
+
if self.use_conv_shortcut:
|
| 175 |
+
self.conv_shortcut = torch.nn.Conv1d(in_channels,
|
| 176 |
+
out_channels,
|
| 177 |
+
kernel_size=3, # Convolutional shortcut
|
| 178 |
+
stride=1,
|
| 179 |
+
padding=1)
|
| 180 |
+
else:
|
| 181 |
+
self.nin_shortcut = torch.nn.Conv1d(in_channels,
|
| 182 |
+
out_channels,
|
| 183 |
+
kernel_size=1, # 1x1 convolution (Network-in-Network) shortcut
|
| 184 |
+
stride=1,
|
| 185 |
+
padding=0)
|
| 186 |
+
|
| 187 |
+
def forward(self, x, temb):
|
| 188 |
+
h = x
|
| 189 |
+
h = self.norm1(h)
|
| 190 |
+
h = nonlinearity(h)
|
| 191 |
+
h = self.conv1(h)
|
| 192 |
+
h = h + self.temb_proj(nonlinearity(temb))[:, :, None]
|
| 193 |
+
h = self.norm2(h)
|
| 194 |
+
h = nonlinearity(h)
|
| 195 |
+
h = self.dropout(h)
|
| 196 |
+
h = self.conv2(h)
|
| 197 |
+
|
| 198 |
+
if self.in_channels != self.out_channels:
|
| 199 |
+
if self.use_conv_shortcut:
|
| 200 |
+
x = self.conv_shortcut(x)
|
| 201 |
+
else:
|
| 202 |
+
x = self.nin_shortcut(x)
|
| 203 |
+
|
| 204 |
+
return x + h
|
| 205 |
+
|
| 206 |
+
|
| 207 |
+
class AttnBlock(nn.Module):
|
| 208 |
+
"""Self-attention block for the U-Net."""
|
| 209 |
+
def __init__(self, in_channels):
|
| 210 |
+
super().__init__()
|
| 211 |
+
self.in_channels = in_channels
|
| 212 |
+
|
| 213 |
+
self.norm = Normalize(in_channels)
|
| 214 |
+
self.q = torch.nn.Conv1d(in_channels,
|
| 215 |
+
in_channels,
|
| 216 |
+
kernel_size=1,
|
| 217 |
+
stride=1,
|
| 218 |
+
padding=0)
|
| 219 |
+
self.k = torch.nn.Conv1d(in_channels,
|
| 220 |
+
in_channels,
|
| 221 |
+
kernel_size=1,
|
| 222 |
+
stride=1,
|
| 223 |
+
padding=0)
|
| 224 |
+
self.v = torch.nn.Conv1d(in_channels,
|
| 225 |
+
in_channels,
|
| 226 |
+
kernel_size=1,
|
| 227 |
+
stride=1,
|
| 228 |
+
padding=0)
|
| 229 |
+
self.proj_out = torch.nn.Conv1d(in_channels,
|
| 230 |
+
in_channels,
|
| 231 |
+
kernel_size=1,
|
| 232 |
+
stride=1,
|
| 233 |
+
padding=0)
|
| 234 |
+
|
| 235 |
+
def forward(self, x):
|
| 236 |
+
h_ = x
|
| 237 |
+
h_ = self.norm(h_)
|
| 238 |
+
q = self.q(h_) # Query
|
| 239 |
+
k = self.k(h_) # Key
|
| 240 |
+
v = self.v(h_) # Value
|
| 241 |
+
b, c, w = q.shape
|
| 242 |
+
q = q.permute(0, 2, 1) # b,w,c (sequence_length, channels)
|
| 243 |
+
w_ = torch.bmm(q, k) # b,w,w (attention scores: q @ k.T)
|
| 244 |
+
w_ = w_ * (int(c)**(-0.5)) # Scale by sqrt(channel_dim)
|
| 245 |
+
w_ = torch.nn.functional.softmax(w_, dim=2) # Softmax over scores
|
| 246 |
+
# attend to values
|
| 247 |
+
w_ = w_.permute(0, 2, 1) # b,w,w (transpose back for v @ w_ if v is b,c,w)
|
| 248 |
+
h_ = torch.bmm(v, w_) # Weighted sum of values
|
| 249 |
+
h_ = h_.reshape(b, c, w)
|
| 250 |
+
|
| 251 |
+
h_ = self.proj_out(h_)
|
| 252 |
+
|
| 253 |
+
return x + h_ # Add residual connection
|
| 254 |
+
|
| 255 |
+
|
| 256 |
+
class Model(nn.Module):
|
| 257 |
+
"""The core U-Net model for the diffusion process."""
|
| 258 |
+
def __init__(self, config):
|
| 259 |
+
super(Model, self).__init__()
|
| 260 |
+
self.config = config
|
| 261 |
+
ch, out_ch, ch_mult = config.model.ch, config.model.out_ch, tuple(config.model.ch_mult)
|
| 262 |
+
num_res_blocks = config.model.num_res_blocks
|
| 263 |
+
attn_resolutions = config.model.attn_resolutions
|
| 264 |
+
dropout = config.model.dropout
|
| 265 |
+
in_channels = config.model.in_channels
|
| 266 |
+
resolution = config.data.traj_length
|
| 267 |
+
resamp_with_conv = config.model.resamp_with_conv
|
| 268 |
+
num_timesteps = config.diffusion.num_diffusion_timesteps
|
| 269 |
+
|
| 270 |
+
if config.model.type == 'bayesian':
|
| 271 |
+
self.logvar = nn.Parameter(torch.zeros(num_timesteps))
|
| 272 |
+
|
| 273 |
+
self.ch = ch
|
| 274 |
+
self.temb_ch = self.ch * 4
|
| 275 |
+
self.num_resolutions = len(ch_mult)
|
| 276 |
+
self.num_res_blocks = num_res_blocks
|
| 277 |
+
self.resolution = resolution
|
| 278 |
+
self.in_channels = in_channels
|
| 279 |
+
|
| 280 |
+
# timestep embedding
|
| 281 |
+
self.temb = nn.Module()
|
| 282 |
+
self.temb.dense = nn.ModuleList([
|
| 283 |
+
torch.nn.Linear(self.ch, self.temb_ch),
|
| 284 |
+
torch.nn.Linear(self.temb_ch, self.temb_ch),
|
| 285 |
+
])
|
| 286 |
+
|
| 287 |
+
# downsampling
|
| 288 |
+
self.conv_in = torch.nn.Conv1d(in_channels, # in_channels related to embedding_dim, not traj_length. Input format (batch_size, embedding_dim, traj_length)
|
| 289 |
+
self.ch,
|
| 290 |
+
kernel_size=3,
|
| 291 |
+
stride=1,
|
| 292 |
+
padding=1)
|
| 293 |
+
|
| 294 |
+
curr_res = resolution
|
| 295 |
+
in_ch_mult = (1, ) + ch_mult
|
| 296 |
+
self.down = nn.ModuleList()
|
| 297 |
+
block_in = None
|
| 298 |
+
for i_level in range(self.num_resolutions):
|
| 299 |
+
block = nn.ModuleList()
|
| 300 |
+
attn = nn.ModuleList()
|
| 301 |
+
block_in = ch * in_ch_mult[i_level]
|
| 302 |
+
block_out = ch * ch_mult[i_level]
|
| 303 |
+
for i_block in range(self.num_res_blocks):
|
| 304 |
+
block.append(
|
| 305 |
+
ResnetBlock(in_channels=block_in,
|
| 306 |
+
out_channels=block_out,
|
| 307 |
+
temb_channels=self.temb_ch,
|
| 308 |
+
dropout=dropout))
|
| 309 |
+
block_in = block_out
|
| 310 |
+
if curr_res in attn_resolutions:
|
| 311 |
+
attn.append(AttnBlock(block_in))
|
| 312 |
+
down = nn.Module()
|
| 313 |
+
down.block = block
|
| 314 |
+
down.attn = attn
|
| 315 |
+
if i_level != self.num_resolutions - 1:
|
| 316 |
+
down.downsample = Downsample(block_in, resamp_with_conv)
|
| 317 |
+
curr_res = curr_res // 2
|
| 318 |
+
self.down.append(down)
|
| 319 |
+
|
| 320 |
+
# middle block
|
| 321 |
+
self.mid = nn.Module()
|
| 322 |
+
self.mid.block_1 = ResnetBlock(in_channels=block_in,
|
| 323 |
+
out_channels=block_in,
|
| 324 |
+
temb_channels=self.temb_ch,
|
| 325 |
+
dropout=dropout)
|
| 326 |
+
self.mid.attn_1 = AttnBlock(block_in)
|
| 327 |
+
self.mid.block_2 = ResnetBlock(in_channels=block_in,
|
| 328 |
+
out_channels=block_in,
|
| 329 |
+
temb_channels=self.temb_ch,
|
| 330 |
+
dropout=dropout)
|
| 331 |
+
|
| 332 |
+
# upsampling
|
| 333 |
+
self.up = nn.ModuleList()
|
| 334 |
+
for i_level in reversed(range(self.num_resolutions)):
|
| 335 |
+
block = nn.ModuleList()
|
| 336 |
+
attn = nn.ModuleList()
|
| 337 |
+
block_out = ch * ch_mult[i_level]
|
| 338 |
+
skip_in = ch * ch_mult[i_level]
|
| 339 |
+
for i_block in range(self.num_res_blocks + 1):
|
| 340 |
+
if i_block == self.num_res_blocks:
|
| 341 |
+
skip_in = ch * in_ch_mult[i_level]
|
| 342 |
+
block.append(
|
| 343 |
+
ResnetBlock(in_channels=block_in + skip_in,
|
| 344 |
+
out_channels=block_out,
|
| 345 |
+
temb_channels=self.temb_ch,
|
| 346 |
+
dropout=dropout))
|
| 347 |
+
block_in = block_out
|
| 348 |
+
if curr_res in attn_resolutions:
|
| 349 |
+
attn.append(AttnBlock(block_in))
|
| 350 |
+
up = nn.Module()
|
| 351 |
+
up.block = block
|
| 352 |
+
up.attn = attn
|
| 353 |
+
if i_level != 0:
|
| 354 |
+
up.upsample = Upsample(block_in, resamp_with_conv)
|
| 355 |
+
curr_res = curr_res * 2
|
| 356 |
+
self.up.insert(0, up) # Prepend to get consistent order for upsampling path
|
| 357 |
+
|
| 358 |
+
# end
|
| 359 |
+
self.norm_out = Normalize(block_in)
|
| 360 |
+
self.conv_out = torch.nn.Conv1d(block_in,
|
| 361 |
+
out_ch,
|
| 362 |
+
kernel_size=3,
|
| 363 |
+
stride=1,
|
| 364 |
+
padding=1)
|
| 365 |
+
|
| 366 |
+
def forward(self, x, t, extra_embed=None):
|
| 367 |
+
assert x.shape[2] == self.resolution # Ensure input trajectory length matches model resolution
|
| 368 |
+
|
| 369 |
+
# timestep embedding
|
| 370 |
+
temb = get_timestep_embedding(t, self.ch)
|
| 371 |
+
temb = self.temb.dense[0](temb)
|
| 372 |
+
temb = nonlinearity(temb)
|
| 373 |
+
temb = self.temb.dense[1](temb)
|
| 374 |
+
if extra_embed is not None:
|
| 375 |
+
temb = temb + extra_embed
|
| 376 |
+
|
| 377 |
+
# downsampling
|
| 378 |
+
hs = [self.conv_in(x)] # List to store hidden states for skip connections
|
| 379 |
+
# print(hs[-1].shape)
|
| 380 |
+
for i_level in range(self.num_resolutions):
|
| 381 |
+
for i_block in range(self.num_res_blocks):
|
| 382 |
+
h = self.down[i_level].block[i_block](hs[-1], temb)
|
| 383 |
+
# print(i_level, i_block, h.shape)
|
| 384 |
+
if len(self.down[i_level].attn) > 0:
|
| 385 |
+
h = self.down[i_level].attn[i_block](h)
|
| 386 |
+
hs.append(h)
|
| 387 |
+
if i_level != self.num_resolutions - 1:
|
| 388 |
+
hs.append(self.down[i_level].downsample(hs[-1]))
|
| 389 |
+
|
| 390 |
+
# middle
|
| 391 |
+
# print(hs[-1].shape)
|
| 392 |
+
# print(len(hs))
|
| 393 |
+
h = hs[-1] # Last hidden state from downsampling path
|
| 394 |
+
h = self.mid.block_1(h, temb)
|
| 395 |
+
h = self.mid.attn_1(h)
|
| 396 |
+
h = self.mid.block_2(h, temb)
|
| 397 |
+
# print(h.shape)
|
| 398 |
+
# upsampling
|
| 399 |
+
for i_level in reversed(range(self.num_resolutions)):
|
| 400 |
+
for i_block in range(self.num_res_blocks + 1):
|
| 401 |
+
ht = hs.pop() # Get corresponding hidden state from downsampling path
|
| 402 |
+
if ht.size(-1) != h.size(-1):
|
| 403 |
+
# Pad if spatial dimensions do not match (can happen with odd resolutions)
|
| 404 |
+
h = torch.nn.functional.pad(h,
|
| 405 |
+
(0, ht.size(-1) - h.size(-1)))
|
| 406 |
+
h = self.up[i_level].block[i_block](torch.cat([h, ht], dim=1), # Concatenate skip connection
|
| 407 |
+
temb)
|
| 408 |
+
# print(i_level, i_block, h.shape)
|
| 409 |
+
if len(self.up[i_level].attn) > 0:
|
| 410 |
+
h = self.up[i_level].attn[i_block](h)
|
| 411 |
+
if i_level != 0:
|
| 412 |
+
h = self.up[i_level].upsample(h)
|
| 413 |
+
|
| 414 |
+
# end
|
| 415 |
+
h = self.norm_out(h)
|
| 416 |
+
h = nonlinearity(h)
|
| 417 |
+
h = self.conv_out(h)
|
| 418 |
+
return h
|
| 419 |
+
|
| 420 |
+
class Guide_UNet(nn.Module):
|
| 421 |
+
"""A U-Net model guided by attribute and prototype embeddings."""
|
| 422 |
+
def __init__(self, config):
|
| 423 |
+
super(Guide_UNet, self).__init__()
|
| 424 |
+
self.config = config
|
| 425 |
+
self.in_channels = config.model.in_channels
|
| 426 |
+
self.ch = config.model.ch * 4
|
| 427 |
+
self.attr_dim = config.model.attr_dim
|
| 428 |
+
self.guidance_scale = config.model.guidance_scale
|
| 429 |
+
self.unet = Model(config)
|
| 430 |
+
self.guide_emb = WideAndDeep(self.in_channels, self.ch)
|
| 431 |
+
self.place_emb = WideAndDeep(self.in_channels, self.ch)
|
| 432 |
+
|
| 433 |
+
def forward(self, x, t, attr, prototype):
|
| 434 |
+
guide_emb = self.guide_emb(attr, prototype) # Conditional embedding
|
| 435 |
+
|
| 436 |
+
target_device = attr.device # Get device from an existing input tensor
|
| 437 |
+
place_vector = torch.zeros(attr.shape, device=target_device)
|
| 438 |
+
place_prototype = torch.zeros(prototype.shape, device=target_device)
|
| 439 |
+
|
| 440 |
+
place_emb = self.place_emb(place_vector, place_prototype) # Unconditional embedding
|
| 441 |
+
|
| 442 |
+
cond_noise = self.unet(x, t, guide_emb) # Conditioned UNet pass
|
| 443 |
+
uncond_noise = self.unet(x, t, place_emb) # Unconditioned UNet pass (for classifier-free guidance)
|
| 444 |
+
|
| 445 |
+
# Classifier-free guidance
|
| 446 |
+
pred_noise = cond_noise + self.guidance_scale * (cond_noise -
|
| 447 |
+
uncond_noise)
|
| 448 |
+
return pred_noise
|
| 449 |
+
|
| 450 |
+
|
| 451 |
+
class WeightedLoss(nn.Module):
|
| 452 |
+
"""Base class for weighted losses."""
|
| 453 |
+
def __init__(self):
|
| 454 |
+
super(WeightedLoss, self).__init__()
|
| 455 |
+
|
| 456 |
+
def forward(self, pred, target, weighted=1.0):
|
| 457 |
+
"""
|
| 458 |
+
pred, target:[batch_size, 2, traj_length]
|
| 459 |
+
"""
|
| 460 |
+
loss = self._loss(pred, target)
|
| 461 |
+
weightedLoss = (loss * weighted).mean() # Apply weights and average
|
| 462 |
+
# loss = self._loss(weighted * pred, weighted * target)
|
| 463 |
+
# weightedLoss = loss.mean()
|
| 464 |
+
return weightedLoss
|
| 465 |
+
|
| 466 |
+
class WeightedL1(WeightedLoss):
|
| 467 |
+
"""Weighted L1 Loss (Mean Absolute Error)."""
|
| 468 |
+
def _loss(self, pred, target):
|
| 469 |
+
return torch.abs(pred - target)
|
| 470 |
+
|
| 471 |
+
|
| 472 |
+
class WeightedL2(WeightedLoss):
|
| 473 |
+
"""Weighted L2 Loss (Mean Squared Error)."""
|
| 474 |
+
def _loss(self, pred, target):
|
| 475 |
+
return F.mse_loss(pred, target, reduction='none')
|
| 476 |
+
|
| 477 |
+
class WeightedL3(WeightedLoss):
|
| 478 |
+
"""A custom weighted L3-like loss, where weights depend on the error magnitude."""
|
| 479 |
+
def __init__(self, base_weight=1000.0, scale_factor=10000.0):
|
| 480 |
+
super(WeightedL3, self).__init__()
|
| 481 |
+
self.base_weight = base_weight
|
| 482 |
+
self.scale_factor = scale_factor
|
| 483 |
+
|
| 484 |
+
def _loss(self, pred, target):
|
| 485 |
+
error = F.mse_loss(pred, target, reduction='none')
|
| 486 |
+
weight = self.base_weight + self.scale_factor * error
|
| 487 |
+
loss = weight * torch.abs(pred - target)
|
| 488 |
+
return loss
|
| 489 |
+
Losses = {
|
| 490 |
+
'l1': WeightedL1,
|
| 491 |
+
'l2': WeightedL2,
|
| 492 |
+
'l3': WeightedL3,
|
| 493 |
+
}
|
| 494 |
+
|
| 495 |
+
def extract(a, t, x_shape):
|
| 496 |
+
"""Extracts values from a (typically constants like alphas) at given timesteps t
|
| 497 |
+
and reshapes them to match the batch shape x_shape.
|
| 498 |
+
"""
|
| 499 |
+
b, *_ = t.shape
|
| 500 |
+
out = a.gather(-1, t)
|
| 501 |
+
return out.reshape(b, *((1,) * (len(x_shape) - 1))) # Reshape to (b, 1, 1, ...) for broadcasting
|
| 502 |
+
|
| 503 |
+
|
| 504 |
+
class Diffusion(nn.Module):
|
| 505 |
+
"""Denoising Diffusion Probabilistic Model (DDPM).
|
| 506 |
+
This class now also includes DDIM sampling capabilities.
|
| 507 |
+
"""
|
| 508 |
+
def __init__(self, loss_type, config, clip_denoised=True, predict_epsilon=True, **kwargs):
|
| 509 |
+
super(Diffusion, self).__init__()
|
| 510 |
+
self.predict_epsilon = predict_epsilon
|
| 511 |
+
self.T = config.diffusion.num_diffusion_timesteps
|
| 512 |
+
self.model = Guide_UNet(config)
|
| 513 |
+
self.beta_schedule = config.diffusion.beta_schedule
|
| 514 |
+
self.beta_start = config.diffusion.beta_start
|
| 515 |
+
self.beta_end = config.diffusion.beta_end
|
| 516 |
+
|
| 517 |
+
if self.beta_schedule == "linear":
|
| 518 |
+
betas = torch.linspace(self.beta_start, self.beta_end, self.T, dtype=torch.float32)
|
| 519 |
+
elif self.beta_schedule == "cosine":
|
| 520 |
+
# Implement cosine schedule
|
| 521 |
+
pass
|
| 522 |
+
else:
|
| 523 |
+
raise ValueError(f"Unsupported beta_schedule: {self.beta_schedule}")
|
| 524 |
+
|
| 525 |
+
alphas = 1.0 - betas
|
| 526 |
+
alpha_cumprod = torch.cumprod(alphas, axis=0)
|
| 527 |
+
alpha_cumprod_prev = torch.cat([torch.ones(1, device=betas.device), alpha_cumprod[:-1]])
|
| 528 |
+
|
| 529 |
+
self.register_buffer("betas", betas)
|
| 530 |
+
self.register_buffer("alphas", alphas)
|
| 531 |
+
self.register_buffer("alpha_cumprod", alpha_cumprod)
|
| 532 |
+
self.register_buffer("alpha_cumprod_prev", alpha_cumprod_prev)
|
| 533 |
+
|
| 534 |
+
# Parameters for q(x_t | x_0) (forward process - DDPM & DDIM)
|
| 535 |
+
self.register_buffer("sqrt_alphas_cumprod", torch.sqrt(alpha_cumprod))
|
| 536 |
+
self.register_buffer("sqrt_one_minus_alphas_cumprod", torch.sqrt(1.0 - alpha_cumprod))
|
| 537 |
+
|
| 538 |
+
# Parameters for DDPM reverse process posterior q(x_{t-1} | x_t, x_0)
|
| 539 |
+
posterior_variance = betas * (1.0 - alpha_cumprod_prev) / (1.0 - alpha_cumprod)
|
| 540 |
+
self.register_buffer("posterior_variance", posterior_variance)
|
| 541 |
+
self.register_buffer("posterior_log_variance_clipped", torch.log(posterior_variance.clamp(min=1e-20)))
|
| 542 |
+
self.register_buffer("posterior_mean_coef1", betas * torch.sqrt(alpha_cumprod_prev) / (1.0 - alpha_cumprod))
|
| 543 |
+
self.register_buffer("posterior_mean_coef2", (1.0 - alpha_cumprod_prev) * torch.sqrt(alphas) / (1.0 - alpha_cumprod))
|
| 544 |
+
|
| 545 |
+
# Parameters for computing x_0 from x_t and noise (used in DDPM prediction and DDIM sampling)
|
| 546 |
+
self.register_buffer("sqrt_recip_alphas_cumprod", torch.sqrt(1.0 / alpha_cumprod))
|
| 547 |
+
self.register_buffer("sqrt_recipminus_alphas_cumprod", torch.sqrt(1.0 / alpha_cumprod - 1))
|
| 548 |
+
|
| 549 |
+
self.loss_fn = Losses[loss_type]()
|
| 550 |
+
|
| 551 |
+
def q_posterior(self, x_start, x, t):
|
| 552 |
+
"""Compute the mean, variance, and log variance of the posterior q(x_{t-1} | x_t, x_0)."""
|
| 553 |
+
posterior_mean = (
|
| 554 |
+
extract(self.posterior_mean_coef1, t, x.shape) * x_start
|
| 555 |
+
+ extract(self.posterior_mean_coef2, t, x.shape) * x
|
| 556 |
+
)
|
| 557 |
+
posterior_variance = extract(self.posterior_variance, t, x.shape)
|
| 558 |
+
posterior_log_variance = extract(self.posterior_log_variance_clipped, t, x.shape)
|
| 559 |
+
return posterior_mean, posterior_variance, posterior_log_variance
|
| 560 |
+
|
| 561 |
+
def predict_start_from_noise(self, x, t, pred_noise):
|
| 562 |
+
"""Compute x_0 from x_t and predicted noise epsilon_theta(x_t, t).
|
| 563 |
+
Used by both DDPM and DDIM.
|
| 564 |
+
"""
|
| 565 |
+
return (
|
| 566 |
+
extract(self.sqrt_recip_alphas_cumprod, t, x.shape) * x
|
| 567 |
+
- extract(self.sqrt_recipminus_alphas_cumprod, t, x.shape) * pred_noise
|
| 568 |
+
)
|
| 569 |
+
|
| 570 |
+
def p_mean_variance(self, x, t, attr, prototype):
|
| 571 |
+
"""Compute the mean and variance of the reverse process p_theta(x_{t-1} | x_t)."""
|
| 572 |
+
pred_noise = self.model(x, t, attr, prototype)
|
| 573 |
+
x_recon = self.predict_start_from_noise(x, t, pred_noise) # Predict x0
|
| 574 |
+
model_mean, posterior_variance, posterior_log_variance = self.q_posterior(x_recon, x, t)
|
| 575 |
+
return model_mean, posterior_log_variance
|
| 576 |
+
|
| 577 |
+
def p_sample(self, x, t, attr, prototype, start_end_info):
|
| 578 |
+
"""Sample x_{t-1} from the model p_theta(x_{t-1} | x_t) (DDPM step)."""
|
| 579 |
+
b = x.shape[0]
|
| 580 |
+
model_mean, model_log_variance = self.p_mean_variance(x, t, attr, prototype)
|
| 581 |
+
noise = torch.randn_like(x)
|
| 582 |
+
|
| 583 |
+
nonzero_mask = (1 - (t == 0).float()).reshape(b, *((1,) * (len(x.shape) - 1))) # No noise when t=0
|
| 584 |
+
x = model_mean + nonzero_mask * (0.5 * model_log_variance).exp() * noise
|
| 585 |
+
|
| 586 |
+
# Fix the first and last point for trajectory interpolation
|
| 587 |
+
x[:, :, 0] = start_end_info[:, :, 0]
|
| 588 |
+
x[:, :, -1] = start_end_info[:, :, -1]
|
| 589 |
+
return x
|
| 590 |
+
|
| 591 |
+
def p_sample_loop(self, test_x0, attr, prototype, *args, **kwargs):
|
| 592 |
+
"""DDPM sampling loop to generate x_0 from x_T (noise)."""
|
| 593 |
+
batch_size = attr.shape[0]
|
| 594 |
+
device = attr.device # Assuming attr is on the correct device
|
| 595 |
+
|
| 596 |
+
x = torch.randn(attr.shape, requires_grad=False, device=device) # Start with pure noise
|
| 597 |
+
start_end_info = test_x0.clone() # Contains the ground truth start and end points
|
| 598 |
+
|
| 599 |
+
# Fix the first and last point from the start
|
| 600 |
+
x[:, :, 0] = start_end_info[:, :, 0]
|
| 601 |
+
x[:, :, -1] = start_end_info[:, :, -1]
|
| 602 |
+
|
| 603 |
+
for i in reversed(range(0, self.T)): # Iterate from T-1 down to 0
|
| 604 |
+
t = torch.full((batch_size,), i, dtype=torch.long, device=device)
|
| 605 |
+
x = self.p_sample(x, t, attr, prototype, start_end_info)
|
| 606 |
+
return x
|
| 607 |
+
|
| 608 |
+
# --------------------- DDIM Sampling Methods ---------------------
|
| 609 |
+
def ddim_sample(self, x, t, t_prev, attr, prototype, start_end_info, eta=0.0):
|
| 610 |
+
"""
|
| 611 |
+
DDIM sampling step from t to t_prev.
|
| 612 |
+
eta: Controls stochasticity. 0 for DDIM (deterministic), 1 for DDPM-like (stochastic).
|
| 613 |
+
"""
|
| 614 |
+
# Ensure model is on the same device as x
|
| 615 |
+
self.model.to(x.device)
|
| 616 |
+
|
| 617 |
+
pred_noise = self.model(x, t, attr, prototype)
|
| 618 |
+
x_0_pred = self.predict_start_from_noise(x, t, pred_noise)
|
| 619 |
+
|
| 620 |
+
x_0_pred[:, :, 0] = start_end_info[:, :, 0]
|
| 621 |
+
x_0_pred[:, :, -1] = start_end_info[:, :, -1]
|
| 622 |
+
|
| 623 |
+
alpha_cumprod_t = extract(self.alpha_cumprod, t, x.shape)
|
| 624 |
+
alpha_cumprod_t_prev = extract(self.alpha_cumprod, t_prev, x.shape) if t_prev.all() >= 0 else torch.ones_like(alpha_cumprod_t)
|
| 625 |
+
|
| 626 |
+
sigma_t = eta * torch.sqrt((1 - alpha_cumprod_t_prev) / (1 - alpha_cumprod_t) * (1 - alpha_cumprod_t / alpha_cumprod_t_prev))
|
| 627 |
+
|
| 628 |
+
c1 = torch.sqrt(alpha_cumprod_t_prev)
|
| 629 |
+
c2 = torch.sqrt(1 - alpha_cumprod_t_prev - sigma_t**2)
|
| 630 |
+
|
| 631 |
+
noise_cond = torch.zeros_like(x)
|
| 632 |
+
if eta > 0:
|
| 633 |
+
noise_cond = torch.randn_like(x)
|
| 634 |
+
noise_cond[:, :, 0] = 0
|
| 635 |
+
noise_cond[:, :, -1] = 0
|
| 636 |
+
|
| 637 |
+
x_prev = c1 * x_0_pred + c2 * pred_noise + sigma_t * noise_cond
|
| 638 |
+
|
| 639 |
+
x_prev[:, :, 0] = start_end_info[:, :, 0]
|
| 640 |
+
x_prev[:, :, -1] = start_end_info[:, :, -1]
|
| 641 |
+
|
| 642 |
+
return x_prev
|
| 643 |
+
|
| 644 |
+
def ddim_sample_loop(self, test_x0, attr, prototype, num_steps=50, eta=0.0):
|
| 645 |
+
"""
|
| 646 |
+
DDIM sampling loop. Can use fewer steps than original diffusion process.
|
| 647 |
+
num_steps: Number of sampling steps (can be less than self.T).
|
| 648 |
+
eta: Controls stochasticity (0 for deterministic, 1 for fully stochastic).
|
| 649 |
+
"""
|
| 650 |
+
batch_size = attr.shape[0]
|
| 651 |
+
device = attr.device # Assuming attr is on the correct device
|
| 652 |
+
|
| 653 |
+
x = torch.randn(attr.shape, requires_grad=False, device=device)
|
| 654 |
+
start_end_info = test_x0.clone()
|
| 655 |
+
|
| 656 |
+
x[:, :, 0] = start_end_info[:, :, 0]
|
| 657 |
+
x[:, :, -1] = start_end_info[:, :, -1]
|
| 658 |
+
|
| 659 |
+
times = torch.linspace(self.T - 1, 0, num_steps + 1, device=device).long() # Ensure times tensor is on the same device
|
| 660 |
+
|
| 661 |
+
for i in range(num_steps):
|
| 662 |
+
t = times[i]
|
| 663 |
+
t_next = times[i + 1]
|
| 664 |
+
# Create full tensors for t and t_next for batch processing
|
| 665 |
+
t_tensor = torch.full((batch_size,), t.item(), dtype=torch.long, device=device)
|
| 666 |
+
t_next_tensor = torch.full((batch_size,), t_next.item(), dtype=torch.long, device=device)
|
| 667 |
+
|
| 668 |
+
x = self.ddim_sample(x, t_tensor, t_next_tensor, attr, prototype, start_end_info, eta)
|
| 669 |
+
|
| 670 |
+
return x
|
| 671 |
+
|
| 672 |
+
# --------------------- Unified Sampling Entry Point ---------------------
|
| 673 |
+
def sample(self, test_x0, attr, prototype, sampling_type='ddpm',
|
| 674 |
+
ddim_num_steps=50, ddim_eta=0.0, *args, **kwargs):
|
| 675 |
+
"""Generate samples using either DDPM or DDIM.
|
| 676 |
+
|
| 677 |
+
Args:
|
| 678 |
+
test_x0 (torch.Tensor): Tensor containing ground truth data, primarily used for start/end points.
|
| 679 |
+
attr (torch.Tensor): Attributes for conditioning.
|
| 680 |
+
prototype (torch.Tensor): Prototypes for conditioning.
|
| 681 |
+
sampling_type (str, optional): 'ddpm' or 'ddim'. Defaults to 'ddpm'.
|
| 682 |
+
ddim_num_steps (int, optional): Number of steps for DDIM sampling. Defaults to 50.
|
| 683 |
+
ddim_eta (float, optional): Eta for DDIM sampling. Defaults to 0.0.
|
| 684 |
+
"""
|
| 685 |
+
self.model.eval() # Set model to evaluation mode for sampling
|
| 686 |
+
with torch.no_grad():
|
| 687 |
+
if sampling_type == 'ddpm':
|
| 688 |
+
return self.p_sample_loop(test_x0, attr, prototype, *args, **kwargs)
|
| 689 |
+
elif sampling_type == 'ddim':
|
| 690 |
+
return self.ddim_sample_loop(test_x0, attr, prototype,
|
| 691 |
+
num_steps=ddim_num_steps, eta=ddim_eta)
|
| 692 |
+
else:
|
| 693 |
+
raise ValueError(f"Unsupported sampling_type: {sampling_type}. Choose 'ddpm' or 'ddim'.")
|
| 694 |
+
|
| 695 |
+
#----------------------------------training----------------------------------#
|
| 696 |
+
def q_sample(self, x_start, t, noise):
|
| 697 |
+
"""Sample x_t from x_0 using q(x_t | x_0) = sqrt(alpha_bar_t)x_0 + sqrt(1-alpha_bar_t)noise."""
|
| 698 |
+
sample = (
|
| 699 |
+
extract(self.sqrt_alphas_cumprod, t, x_start.shape) * x_start +
|
| 700 |
+
extract(self.sqrt_one_minus_alphas_cumprod, t, x_start.shape) * noise
|
| 701 |
+
)
|
| 702 |
+
# Keep start and end points fixed during noising process as well (for interpolation task)
|
| 703 |
+
sample[:, :, 0] = x_start[:, :, 0]
|
| 704 |
+
sample[:, :, -1] = x_start[:, :, -1]
|
| 705 |
+
return sample
|
| 706 |
+
|
| 707 |
+
def p_losses(self, x_start, attr, prototype, t, weights=1.0):
|
| 708 |
+
"""Calculate the diffusion loss (typically MSE between predicted noise and actual noise).
|
| 709 |
+
This is common for both DDPM and DDIM training.
|
| 710 |
+
"""
|
| 711 |
+
noise = torch.randn_like(x_start)
|
| 712 |
+
# For interpolation, noise is not added to the fixed start/end points
|
| 713 |
+
noise[:, :, 0] = 0
|
| 714 |
+
noise[:, :, -1] = 0
|
| 715 |
+
|
| 716 |
+
x_noisy = self.q_sample(x_start=x_start, t=t, noise=noise)
|
| 717 |
+
|
| 718 |
+
x_recon = self.model(x_noisy, t, attr, prototype) # Model predicts noise or x0
|
| 719 |
+
assert noise.shape == x_recon.shape
|
| 720 |
+
|
| 721 |
+
if self.predict_epsilon:
|
| 722 |
+
# Loss on the predicted noise, excluding start/end points
|
| 723 |
+
loss = self.loss_fn(x_recon[:, :, 1:-1], noise[:, :, 1:-1], weights)
|
| 724 |
+
else:
|
| 725 |
+
# Loss on the predicted x0, excluding start/end points
|
| 726 |
+
loss = self.loss_fn(x_recon[:, :, 1:-1], x_start[:, :, 1:-1], weights)
|
| 727 |
+
|
| 728 |
+
return loss
|
| 729 |
+
|
| 730 |
+
def trainer(self, x, attr, prototype, weights=1.0):
|
| 731 |
+
"""Performs a single training step. Common for DDPM and DDIM."""
|
| 732 |
+
self.model.train() # Set model to training mode
|
| 733 |
+
batch_size = len(x)
|
| 734 |
+
t = torch.randint(0, self.T, (batch_size,), device=x.device).long() # Sample random timesteps on the same device as x
|
| 735 |
+
return self.p_losses(x, attr, prototype, t, weights)
|
| 736 |
+
|
| 737 |
+
def forward(self, test_x0, attr, prototype, sampling_type='ddpm',
|
| 738 |
+
ddim_num_steps=50, ddim_eta=0.0, *args, **kwargs):
|
| 739 |
+
"""Default forward pass calls the unified sampling method."""
|
| 740 |
+
return self.sample(test_x0, attr, prototype,
|
| 741 |
+
sampling_type=sampling_type,
|
| 742 |
+
ddim_num_steps=ddim_num_steps,
|
| 743 |
+
ddim_eta=ddim_eta,
|
| 744 |
+
*args, **kwargs)
|