model.py

"""From: https://github.com/ermongroup/ddim/blob/main/models/diffusion.py"""
import math
import torch
import torch.nn as nn

def get_timestep_embedding(timesteps, embedding_dim):
    """
    This matches the implementation in Denoising Diffusion Probabilistic Models:
    From Fairseq.
    Build sinusoidal embeddings.
    This matches the implementation in tensor2tensor, but differs slightly
    from the description in Section 3.5 of "Attention Is All You Need".
    """
    assert len(timesteps.shape) == 1

    half_dim = embedding_dim // 2
    emb = math.log(10000) / (half_dim - 1)
    emb = torch.exp(torch.arange(half_dim, dtype=torch.float32) * -emb)
    emb = emb.to(device=timesteps.device)
    emb = timesteps.float()[:, None] * emb[None, :]
    emb = torch.cat([torch.sin(emb), torch.cos(emb)], dim=1)
    if embedding_dim % 2 == 1:  # zero pad
        emb = torch.nn.functional.pad(emb, (0, 1, 0, 0))
    return emb


def nonlinearity(x):
    # swish
    return x*torch.sigmoid(x)


def Normalize(in_channels):
    return torch.nn.GroupNorm(num_groups=32, num_channels=in_channels, eps=1e-6, affine=True)


class Upsample(nn.Module):
    def __init__(self, in_channels, with_conv):
        super().__init__()
        self.with_conv = with_conv
        if self.with_conv:
            self.conv = torch.nn.Conv2d(in_channels,
                                        in_channels,
                                        kernel_size=3,
                                        stride=1,
                                        padding=1)

    def forward(self, x):
        x = torch.nn.functional.interpolate(
            x, scale_factor=2.0, mode="nearest")
        if self.with_conv:
            x = self.conv(x)
        return x


class Downsample(nn.Module):
    def __init__(self, in_channels, with_conv):
        super().__init__()
        self.with_conv = with_conv
        if self.with_conv:
            # no asymmetric padding in torch conv, must do it ourselves
            self.conv = torch.nn.Conv2d(in_channels,
                                        in_channels,
                                        kernel_size=3,
                                        stride=2,
                                        padding=0)

    def forward(self, x):
        if self.with_conv:
            pad = (0, 1, 0, 1)
            x = torch.nn.functional.pad(x, pad, mode="constant", value=0)
            x = self.conv(x)
        else:
            x = torch.nn.functional.avg_pool2d(x, kernel_size=2, stride=2)
        return x


class ResnetBlock(nn.Module):
    def __init__(self, *, in_channels, out_channels=None, conv_shortcut=False,
                 dropout, temb_channels=512):
        super().__init__()
        self.in_channels = in_channels
        out_channels = in_channels if out_channels is None else out_channels
        self.out_channels = out_channels
        self.use_conv_shortcut = conv_shortcut

        self.norm1 = Normalize(in_channels)
        self.conv1 = torch.nn.Conv2d(in_channels,
                                     out_channels,
                                     kernel_size=3,
                                     stride=1,
                                     padding=1)
        self.temb_proj = torch.nn.Linear(temb_channels,
                                         out_channels)
        self.norm2 = Normalize(out_channels)
        self.dropout = torch.nn.Dropout(dropout)
        self.conv2 = torch.nn.Conv2d(out_channels,
                                     out_channels,
                                     kernel_size=3,
                                     stride=1,
                                     padding=1)
        if self.in_channels != self.out_channels:
            if self.use_conv_shortcut:
                self.conv_shortcut = torch.nn.Conv2d(in_channels,
                                                     out_channels,
                                                     kernel_size=3,
                                                     stride=1,
                                                     padding=1)
            else:
                self.nin_shortcut = torch.nn.Conv2d(in_channels,
                                                    out_channels,
                                                    kernel_size=1,
                                                    stride=1,
                                                    padding=0)

    def forward(self, x, temb):
        h = x
        h = self.norm1(h)
        h = nonlinearity(h)
        h = self.conv1(h)

        h = h + self.temb_proj(nonlinearity(temb))[:, :, None, None]

        h = self.norm2(h)
        h = nonlinearity(h)
        h = self.dropout(h)
        h = self.conv2(h)

        if self.in_channels != self.out_channels:
            if self.use_conv_shortcut:
                x = self.conv_shortcut(x)
            else:
                x = self.nin_shortcut(x)

        return x+h


class AttnBlock(nn.Module):
    def __init__(self, in_channels):
        super().__init__()
        self.in_channels = in_channels

        self.norm = Normalize(in_channels)
        self.q = torch.nn.Conv2d(in_channels,
                                 in_channels,
                                 kernel_size=1,
                                 stride=1,
                                 padding=0)
        self.k = torch.nn.Conv2d(in_channels,
                                 in_channels,
                                 kernel_size=1,
                                 stride=1,
                                 padding=0)
        self.v = torch.nn.Conv2d(in_channels,
                                 in_channels,
                                 kernel_size=1,
                                 stride=1,
                                 padding=0)
        self.proj_out = torch.nn.Conv2d(in_channels,
                                        in_channels,
                                        kernel_size=1,
                                        stride=1,
                                        padding=0)

    def forward(self, x):
        h_ = x
        h_ = self.norm(h_)
        q = self.q(h_)
        k = self.k(h_)
        v = self.v(h_)

        # compute attention
        b, c, h, w = q.shape
        q = q.reshape(b, c, h*w)
        q = q.permute(0, 2, 1)   # b,hw,c
        k = k.reshape(b, c, h*w)  # b,c,hw
        w_ = torch.bmm(q, k)     # b,hw,hw    w[b,i,j]=sum_c q[b,i,c]k[b,c,j]
        w_ = w_ * (int(c)**(-0.5))
        w_ = torch.nn.functional.softmax(w_, dim=2)

        # attend to values
        v = v.reshape(b, c, h*w)
        w_ = w_.permute(0, 2, 1)   # b,hw,hw (first hw of k, second of q)
        # b, c,hw (hw of q) h_[b,c,j] = sum_i v[b,c,i] w_[b,i,j]
        h_ = torch.bmm(v, w_)
        h_ = h_.reshape(b, c, h, w)

        h_ = self.proj_out(h_)

        return x+h_


class Model(nn.Module):
    def __init__(self, config):
        super().__init__()
        self.config = config
        ch, out_ch, ch_mult = config.model.ch, config.model.out_ch, tuple(config.model.ch_mult)
        num_res_blocks = config.model.num_res_blocks
        attn_resolutions = config.model.attn_resolutions
        dropout = config.model.dropout
        in_channels = config.model.in_channels
        resolution = config.data.image_size
        resamp_with_conv = config.model.resamp_with_conv
        num_timesteps = config.diffusion.num_diffusion_timesteps
        
        if config.model.type == 'bayesian':
            self.logvar = nn.Parameter(torch.zeros(num_timesteps))
        
        self.ch = ch
        self.temb_ch = self.ch*4
        self.num_resolutions = len(ch_mult)
        self.num_res_blocks = num_res_blocks
        self.resolution = resolution
        self.in_channels = in_channels

        # timestep embedding
        self.temb = nn.Module()
        self.temb.dense = nn.ModuleList([
            torch.nn.Linear(self.ch,
                            self.temb_ch),
            torch.nn.Linear(self.temb_ch,
                            self.temb_ch),
        ])

        # downsampling
        self.conv_in = torch.nn.Conv2d(in_channels,
                                       self.ch,
                                       kernel_size=3,
                                       stride=1,
                                       padding=1)

        curr_res = resolution
        in_ch_mult = (1,)+ch_mult
        self.down = nn.ModuleList()
        block_in = None
        for i_level in range(self.num_resolutions):
            block = nn.ModuleList()
            attn = nn.ModuleList()
            block_in = ch*in_ch_mult[i_level]
            block_out = ch*ch_mult[i_level]
            for i_block in range(self.num_res_blocks):
                block.append(ResnetBlock(in_channels=block_in,
                                         out_channels=block_out,
                                         temb_channels=self.temb_ch,
                                         dropout=dropout))
                block_in = block_out
                if curr_res in attn_resolutions:
                    attn.append(AttnBlock(block_in))
            down = nn.Module()
            down.block = block
            down.attn = attn
            if i_level != self.num_resolutions-1:
                down.downsample = Downsample(block_in, resamp_with_conv)
                curr_res = curr_res // 2
            self.down.append(down)

        # middle
        self.mid = nn.Module()
        self.mid.block_1 = ResnetBlock(in_channels=block_in,
                                       out_channels=block_in,
                                       temb_channels=self.temb_ch,
                                       dropout=dropout)
        self.mid.attn_1 = AttnBlock(block_in)
        self.mid.block_2 = ResnetBlock(in_channels=block_in,
                                       out_channels=block_in,
                                       temb_channels=self.temb_ch,
                                       dropout=dropout)

        # upsampling
        self.up = nn.ModuleList()
        for i_level in reversed(range(self.num_resolutions)):
            block = nn.ModuleList()
            attn = nn.ModuleList()
            block_out = ch*ch_mult[i_level]
            skip_in = ch*ch_mult[i_level]
            for i_block in range(self.num_res_blocks+1):
                if i_block == self.num_res_blocks:
                    skip_in = ch*in_ch_mult[i_level]
                block.append(ResnetBlock(in_channels=block_in+skip_in,
                                         out_channels=block_out,
                                         temb_channels=self.temb_ch,
                                         dropout=dropout))
                block_in = block_out
                if curr_res in attn_resolutions:
                    attn.append(AttnBlock(block_in))
            up = nn.Module()
            up.block = block
            up.attn = attn
            if i_level != 0:
                up.upsample = Upsample(block_in, resamp_with_conv)
                curr_res = curr_res * 2
            self.up.insert(0, up)  # prepend to get consistent order

        # end
        self.norm_out = Normalize(block_in)
        self.conv_out = torch.nn.Conv2d(block_in,
                                        out_ch,
                                        kernel_size=3,
                                        stride=1,
                                        padding=1)

    def forward(self, x, t):
        # Asserts that the width and height of the input image are equal to a preset resolution
        assert x.shape[2] == x.shape[3] == self.resolution

        # timestep embedding
        temb = get_timestep_embedding(t, self.ch)
        temb = self.temb.dense[0](temb)
        temb = nonlinearity(temb)
        temb = self.temb.dense[1](temb)

        # downsampling
        # The input tensor x is passed through a convolutional layer (self.conv_in), and the result is stored in hs. The model then applies a sequence of residual blocks and possibly an attention mechanism at each resolution level. The output at each stage is appended to the list hs. If it's not the final resolution level, it applies a downsampling operation.
        hs = [self.conv_in(x)]
        for i_level in range(self.num_resolutions):
            for i_block in range(self.num_res_blocks):
                h = self.down[i_level].block[i_block](hs[-1], temb)
                if len(self.down[i_level].attn) > 0:
                    h = self.down[i_level].attn[i_block](h)
                hs.append(h)
            if i_level != self.num_resolutions-1:
                hs.append(self.down[i_level].downsample(hs[-1]))

        #  The output of the downsampling stage (hs[-1]) goes through two blocks and an attention mechanism. The same timestep embedding temb is used as before.
        h = hs[-1]
        h = self.mid.block_1(h, temb)
        h = self.mid.attn_1(h)
        h = self.mid.block_2(h, temb)

        # upsampling
        # The model uses the outputs stored in hs and the output from the "middle" part h, applying a sequence of blocks (with potential attention) at each resolution level in reverse order. At each level, the block's output is concatenated with the corresponding tensor in hs. If it's not the lowest resolution level, it applies an upsampling operation.
        for i_level in reversed(range(self.num_resolutions)):
            for i_block in range(self.num_res_blocks+1):
                h = self.up[i_level].block[i_block](
                    torch.cat([h, hs.pop()], dim=1), temb)
                if len(self.up[i_level].attn) > 0:
                    h = self.up[i_level].attn[i_block](h)
            if i_level != 0:
                h = self.up[i_level].upsample(h)

        # The output tensor from the upsampling stage is normalized, passed through a nonlinearity, and a convolutional layer.d
        h = self.norm_out(h)
        h = nonlinearity(h)
        h = self.conv_out(h)
        return h

    @property
    def device(self) -> str:
        return next(self.parameters()).device