vision_transformer.py

import math
from functools import partial

import torch
import torch.nn as nn


def drop_path(x, drop_prob: float = 0.0, training: bool = False):
    if drop_prob == 0.0 or not training:
        return x
    keep_prob = 1 - drop_prob
    shape = (x.shape[0],) + (1,) * (
        x.ndim - 1
    )  # work with diff dim tensors, not just 2D ConvNets
    random_tensor = keep_prob + torch.rand(
        shape, dtype=x.dtype, device=x.device
    )
    random_tensor.floor_()  # binarize
    output = x.div(keep_prob) * random_tensor
    return output


class DropPath(nn.Module):
    """Drop paths (Stochastic Depth) per sample  (when applied in main path of residual blocks)."""

    def __init__(self, drop_prob=None):
        super(DropPath, self).__init__()
        self.drop_prob = drop_prob

    def forward(self, x):
        return drop_path(x, self.drop_prob, self.training)


class Mlp(nn.Module):
    def __init__(
        self,
        in_features,
        hidden_features=None,
        out_features=None,
        act_layer=nn.GELU,
        drop=0.0,
    ):
        super().__init__()
        out_features = out_features or in_features
        hidden_features = hidden_features or in_features
        self.fc1 = nn.Linear(in_features, hidden_features)
        self.act = act_layer()
        self.fc2 = nn.Linear(hidden_features, out_features)
        self.drop = nn.Dropout(drop)

    def forward(self, x):
        x = self.fc1(x)
        x = self.act(x)
        x = self.drop(x)
        x = self.fc2(x)
        x = self.drop(x)
        return x


class Attention(nn.Module):
    def __init__(
        self,
        dim,
        num_heads=8,
        qkv_bias=False,
        qk_scale=None,
        attn_drop=0.0,
        proj_drop=0.0,
    ):
        super().__init__()
        self.num_heads = num_heads
        head_dim = dim // num_heads
        self.scale = qk_scale or head_dim**-0.5

        self.qkv = nn.Linear(dim, dim * 3, bias=qkv_bias)
        self.attn_drop = nn.Dropout(attn_drop)
        self.proj = nn.Linear(dim, dim)
        self.proj_drop = nn.Dropout(proj_drop)

    def forward(self, x):
        B, N, C = x.shape
        qkv = (
            self.qkv(x)
            .reshape(B, N, 3, self.num_heads, C // self.num_heads)
            .permute(2, 0, 3, 1, 4)
        )
        q, k, v = qkv[0], qkv[1], qkv[2]

        attn = (q @ k.transpose(-2, -1)) * self.scale
        attn = attn.softmax(dim=-1)
        attn = self.attn_drop(attn)

        x = (attn @ v).transpose(1, 2).reshape(B, N, C)
        x = self.proj(x)
        x = self.proj_drop(x)
        return x, attn


class Block(nn.Module):
    def __init__(
        self,
        dim,
        num_heads,
        mlp_ratio=4.0,
        qkv_bias=False,
        qk_scale=None,
        drop=0.0,
        attn_drop=0.0,
        drop_path=0.0,
        act_layer=nn.GELU,
        norm_layer=nn.LayerNorm,
    ):
        super().__init__()
        self.norm1 = norm_layer(dim)
        self.attn = Attention(
            dim,
            num_heads=num_heads,
            qkv_bias=qkv_bias,
            qk_scale=qk_scale,
            attn_drop=attn_drop,
            proj_drop=drop,
        )
        self.drop_path = (
            DropPath(drop_path) if drop_path > 0.0 else nn.Identity()
        )
        self.norm2 = norm_layer(dim)
        mlp_hidden_dim = int(dim * mlp_ratio)
        self.mlp = Mlp(
            in_features=dim,
            hidden_features=mlp_hidden_dim,
            act_layer=act_layer,
            drop=drop,
        )

    def forward(self, x, return_attention=False):
        y, attn = self.attn(self.norm1(x))
        if return_attention:
            return attn
        x = x + self.drop_path(y)
        x = x + self.drop_path(self.mlp(self.norm2(x)))
        return x


class PatchEmbed(nn.Module):
    """Image to Patch Embedding"""

    def __init__(self, img_size=224, patch_size=16, in_chans=3, embed_dim=768):
        super().__init__()
        assert (
            img_size % patch_size == 0
        ), "Image size must be divisible by patch size"
        num_patches = (img_size // patch_size) * (img_size // patch_size)
        self.img_size = img_size
        self.patch_size = patch_size
        self.num_patches = num_patches
        self.in_chans = in_chans

        self.proj = nn.Conv2d(
            in_chans, embed_dim, kernel_size=patch_size, stride=patch_size
        )

    def forward(self, x):
        _, C, H, W = x.shape
        assert (
            H == self.img_size and W == self.img_size and C == self.in_chans
        ), f"Invalid image size, expecting {(self.in_chans, self.img_size, self.img_size)} but got {(C, H, W)}"

        x = self.proj(x).flatten(2).transpose(1, 2)
        return x


class VisionTransformer(nn.Module):
    """Vision Transformer"""

    def __init__(
        self,
        img_size=224,
        patch_size=16,
        in_chans=3,
        num_classes=0,
        embed_dim=768,
        depth=12,
        num_heads=12,
        mlp_ratio=4.0,
        qkv_bias=False,
        qk_scale=None,
        drop_rate=0.0,
        attn_drop_rate=0.0,
        drop_path_rate=0.0,
        norm_layer=nn.LayerNorm,
        **kwargs,
    ):
        super().__init__(**kwargs)
        self.num_features = self.embed_dim = embed_dim

        self.patch_embed = PatchEmbed(
            img_size=img_size,
            patch_size=patch_size,
            in_chans=in_chans,
            embed_dim=embed_dim,
        )
        num_patches = self.patch_embed.num_patches

        self.cls_token = nn.Parameter(torch.zeros(1, 1, embed_dim))
        self.pos_embed = nn.Parameter(
            torch.zeros(1, num_patches + 1, embed_dim)
        )
        self.pos_drop = nn.Dropout(p=drop_rate)

        dpr = [
            x.item() for x in torch.linspace(0, drop_path_rate, depth)
        ]  # stochastic depth decay rule
        self.blocks = nn.ModuleList(
            [
                Block(
                    dim=embed_dim,
                    num_heads=num_heads,
                    mlp_ratio=mlp_ratio,
                    qkv_bias=qkv_bias,
                    qk_scale=qk_scale,
                    drop=drop_rate,
                    attn_drop=attn_drop_rate,
                    drop_path=dpr[i],
                    norm_layer=norm_layer,
                )
                for i in range(depth)
            ]
        )
        self.norm = norm_layer(embed_dim)

        # Classifier head
        self.num_classes = num_classes
        self.head = (
            nn.Linear(embed_dim, num_classes)
            if num_classes > 0
            else nn.Identity()
        )

        nn.init.trunc_normal_(self.pos_embed, std=0.02)
        nn.init.trunc_normal_(self.cls_token, std=0.02)
        self.apply(self._init_weights)

    def _init_weights(self, m):
        if isinstance(m, nn.Linear):
            nn.init.trunc_normal_(m.weight, std=0.02)
            if isinstance(m, nn.Linear) and m.bias is not None:
                nn.init.constant_(m.bias, 0)
        elif isinstance(m, nn.LayerNorm):
            nn.init.constant_(m.bias, 0)
            nn.init.constant_(m.weight, 1.0)

    def interpolate_pos_encoding(self, x, w, h):
        npatch = x.shape[1] - 1
        N = self.pos_embed.shape[1] - 1
        if npatch == N and w == h:
            return self.pos_embed
        class_pos_embed = self.pos_embed[:, 0]
        patch_pos_embed = self.pos_embed[:, 1:]
        dim = x.shape[-1]
        w0 = w // self.patch_embed.patch_size
        h0 = h // self.patch_embed.patch_size
        # we add a small number to avoid floating point error in the interpolation
        # see discussion at https://github.com/facebookresearch/dino/issues/8
        w0, h0 = w0 + 0.1, h0 + 0.1
        patch_pos_embed = nn.functional.interpolate(
            patch_pos_embed.reshape(
                1, int(math.sqrt(N)), int(math.sqrt(N)), dim
            ).permute(0, 3, 1, 2),
            scale_factor=(w0 / math.sqrt(N), h0 / math.sqrt(N)),
            mode="bicubic",
        )
        assert (
            int(w0) == patch_pos_embed.shape[-2]
            and int(h0) == patch_pos_embed.shape[-1]
        )
        patch_pos_embed = patch_pos_embed.permute(0, 2, 3, 1).view(1, -1, dim)
        return torch.cat((class_pos_embed.unsqueeze(0), patch_pos_embed), dim=1)

    def prepare_tokens(self, x):
        B, _, w, h = x.shape
        x = self.patch_embed(x)  # patch linear embedding

        # add the [CLS] token to the embed patch tokens
        cls_tokens = self.cls_token.expand(B, -1, -1)
        x = torch.cat((cls_tokens, x), dim=1)

        # add positional encoding to each token
        x = x + self.interpolate_pos_encoding(x, w, h)

        return self.pos_drop(x)

    def forward(self, x, return_patch_embeddings: bool = False):
        x = self.prepare_tokens(x)
        for blk in self.blocks:
            x = blk(x)
        x = self.norm(x)

        # return full token embeddings, including CLS and patches
        if return_patch_embeddings:
            return x

        # return classification output
        out = self.head(x[:, 0])
        return out

    def get_last_self_attention(self, x):
        x = self.prepare_tokens(x)
        for i, blk in enumerate(self.blocks):
            if i < len(self.blocks) - 1:
                x = blk(x)
            else:
                # return attention of the last block
                return blk(x, return_attention=True)

    def get_intermediate_layers(self, x, n=1):
        x = self.prepare_tokens(x)
        # return the output tokens from the `n` last blocks
        output = []
        for i, blk in enumerate(self.blocks):
            x = blk(x)
            if len(self.blocks) - i <= n:
                output.append(self.norm(x))
        return output


def vit_tiny(patch_size=16, **kwargs):
    model = VisionTransformer(
        patch_size=patch_size,
        embed_dim=192,
        depth=12,
        num_heads=3,
        mlp_ratio=4,
        qkv_bias=True,
        norm_layer=partial(nn.LayerNorm, eps=1e-6),
        **kwargs,
    )
    return model


def vit_small(patch_size=16, **kwargs):
    model = VisionTransformer(
        patch_size=patch_size,
        embed_dim=384,
        depth=12,
        num_heads=6,
        mlp_ratio=4,
        qkv_bias=True,
        norm_layer=partial(nn.LayerNorm, eps=1e-6),
        **kwargs,
    )
    return model


def vit_base(patch_size=16, **kwargs):
    model = VisionTransformer(
        patch_size=patch_size,
        embed_dim=768,
        depth=12,
        num_heads=12,
        mlp_ratio=4,
        qkv_bias=True,
        norm_layer=partial(nn.LayerNorm, eps=1e-6),
        **kwargs,
    )
    return model