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x_transformer.py

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+"""shout-out to https://github.com/lucidrains/x-transformers/tree/main/x_transformers"""
+import torch
+from torch import nn, einsum
+import torch.nn.functional as F
+from functools import partial
+from inspect import isfunction
+from collections import namedtuple
+from einops import rearrange, repeat, reduce
+
+# constants
+
+DEFAULT_DIM_HEAD = 64
+
+Intermediates = namedtuple('Intermediates', [
+    'pre_softmax_attn',
+    'post_softmax_attn'
+])
+
+LayerIntermediates = namedtuple('Intermediates', [
+    'hiddens',
+    'attn_intermediates'
+])
+
+
+class AbsolutePositionalEmbedding(nn.Module):
+    def __init__(self, dim, max_seq_len):
+        super().__init__()
+        self.emb = nn.Embedding(max_seq_len, dim)
+        self.init_()
+
+    def init_(self):
+        nn.init.normal_(self.emb.weight, std=0.02)
+
+    def forward(self, x):
+        n = torch.arange(x.shape[1], device=x.device)
+        return self.emb(n)[None, :, :]
+
+
+class FixedPositionalEmbedding(nn.Module):
+    def __init__(self, dim):
+        super().__init__()
+        inv_freq = 1. / (10000 ** (torch.arange(0, dim, 2).float() / dim))
+        self.register_buffer('inv_freq', inv_freq)
+
+    def forward(self, x, seq_dim=1, offset=0):
+        t = torch.arange(x.shape[seq_dim], device=x.device).type_as(self.inv_freq) + offset
+        sinusoid_inp = torch.einsum('i , j -> i j', t, self.inv_freq)
+        emb = torch.cat((sinusoid_inp.sin(), sinusoid_inp.cos()), dim=-1)
+        return emb[None, :, :]
+
+
+# helpers
+
+def exists(val):
+    return val is not None
+
+
+def default(val, d):
+    if exists(val):
+        return val
+    return d() if isfunction(d) else d
+
+
+def always(val):
+    def inner(*args, **kwargs):
+        return val
+    return inner
+
+
+def not_equals(val):
+    def inner(x):
+        return x != val
+    return inner
+
+
+def equals(val):
+    def inner(x):
+        return x == val
+    return inner
+
+
+def max_neg_value(tensor):
+    return -torch.finfo(tensor.dtype).max
+
+
+# keyword argument helpers
+
+def pick_and_pop(keys, d):
+    values = list(map(lambda key: d.pop(key), keys))
+    return dict(zip(keys, values))
+
+
+def group_dict_by_key(cond, d):
+    return_val = [dict(), dict()]
+    for key in d.keys():
+        match = bool(cond(key))
+        ind = int(not match)
+        return_val[ind][key] = d[key]
+    return (*return_val,)
+
+
+def string_begins_with(prefix, str):
+    return str.startswith(prefix)
+
+
+def group_by_key_prefix(prefix, d):
+    return group_dict_by_key(partial(string_begins_with, prefix), d)
+
+
+def groupby_prefix_and_trim(prefix, d):
+    kwargs_with_prefix, kwargs = group_dict_by_key(partial(string_begins_with, prefix), d)
+    kwargs_without_prefix = dict(map(lambda x: (x[0][len(prefix):], x[1]), tuple(kwargs_with_prefix.items())))
+    return kwargs_without_prefix, kwargs
+
+
+# classes
+class Scale(nn.Module):
+    def __init__(self, value, fn):
+        super().__init__()
+        self.value = value
+        self.fn = fn
+
+    def forward(self, x, **kwargs):
+        x, *rest = self.fn(x, **kwargs)
+        return (x * self.value, *rest)
+
+
+class Rezero(nn.Module):
+    def __init__(self, fn):
+        super().__init__()
+        self.fn = fn
+        self.g = nn.Parameter(torch.zeros(1))
+
+    def forward(self, x, **kwargs):
+        x, *rest = self.fn(x, **kwargs)
+        return (x * self.g, *rest)
+
+
+class ScaleNorm(nn.Module):
+    def __init__(self, dim, eps=1e-5):
+        super().__init__()
+        self.scale = dim ** -0.5
+        self.eps = eps
+        self.g = nn.Parameter(torch.ones(1))
+
+    def forward(self, x):
+        norm = torch.norm(x, dim=-1, keepdim=True) * self.scale
+        return x / norm.clamp(min=self.eps) * self.g
+
+
+class RMSNorm(nn.Module):
+    def __init__(self, dim, eps=1e-8):
+        super().__init__()
+        self.scale = dim ** -0.5
+        self.eps = eps
+        self.g = nn.Parameter(torch.ones(dim))
+
+    def forward(self, x):
+        norm = torch.norm(x, dim=-1, keepdim=True) * self.scale
+        return x / norm.clamp(min=self.eps) * self.g
+
+
+class Residual(nn.Module):
+    def forward(self, x, residual):
+        return x + residual
+
+
+class GRUGating(nn.Module):
+    def __init__(self, dim):
+        super().__init__()
+        self.gru = nn.GRUCell(dim, dim)
+
+    def forward(self, x, residual):
+        gated_output = self.gru(
+            rearrange(x, 'b n d -> (b n) d'),
+            rearrange(residual, 'b n d -> (b n) d')
+        )
+
+        return gated_output.reshape_as(x)
+
+
+# feedforward
+
+class GEGLU(nn.Module):
+    def __init__(self, dim_in, dim_out):
+        super().__init__()
+        self.proj = nn.Linear(dim_in, dim_out * 2)
+
+    def forward(self, x):
+        x, gate = self.proj(x).chunk(2, dim=-1)
+        return x * F.gelu(gate)
+
+
+class FeedForward(nn.Module):
+    def __init__(self, dim, dim_out=None, mult=4, glu=False, dropout=0.):
+        super().__init__()
+        inner_dim = int(dim * mult)
+        dim_out = default(dim_out, dim)
+        project_in = nn.Sequential(
+            nn.Linear(dim, inner_dim),
+            nn.GELU()
+        ) if not glu else GEGLU(dim, inner_dim)
+
+        self.net = nn.Sequential(
+            project_in,
+            nn.Dropout(dropout),
+            nn.Linear(inner_dim, dim_out)
+        )
+
+    def forward(self, x):
+        return self.net(x)
+
+
+# attention.
+class Attention(nn.Module):
+    def __init__(
+            self,
+            dim,
+            dim_head=DEFAULT_DIM_HEAD,
+            heads=8,
+            causal=False,
+            mask=None,
+            talking_heads=False,
+            sparse_topk=None,
+            use_entmax15=False,
+            num_mem_kv=0,
+            dropout=0.,
+            on_attn=False
+    ):
+        super().__init__()
+        if use_entmax15:
+            raise NotImplementedError("Check out entmax activation instead of softmax activation!")
+        self.scale = dim_head ** -0.5
+        self.heads = heads
+        self.causal = causal
+        self.mask = mask
+
+        inner_dim = dim_head * heads
+
+        self.to_q = nn.Linear(dim, inner_dim, bias=False)
+        self.to_k = nn.Linear(dim, inner_dim, bias=False)
+        self.to_v = nn.Linear(dim, inner_dim, bias=False)
+        self.dropout = nn.Dropout(dropout)
+
+        # talking heads
+        self.talking_heads = talking_heads
+        if talking_heads:
+            self.pre_softmax_proj = nn.Parameter(torch.randn(heads, heads))
+            self.post_softmax_proj = nn.Parameter(torch.randn(heads, heads))
+
+        # explicit topk sparse attention
+        self.sparse_topk = sparse_topk
+
+        # entmax
+        #self.attn_fn = entmax15 if use_entmax15 else F.softmax
+        self.attn_fn = F.softmax
+
+        # add memory key / values
+        self.num_mem_kv = num_mem_kv
+        if num_mem_kv > 0:
+            self.mem_k = nn.Parameter(torch.randn(heads, num_mem_kv, dim_head))
+            self.mem_v = nn.Parameter(torch.randn(heads, num_mem_kv, dim_head))
+
+        # attention on attention
+        self.attn_on_attn = on_attn
+        self.to_out = nn.Sequential(nn.Linear(inner_dim, dim * 2), nn.GLU()) if on_attn else nn.Linear(inner_dim, dim)
+
+    def forward(
+            self,
+            x,
+            context=None,
+            mask=None,
+            context_mask=None,
+            rel_pos=None,
+            sinusoidal_emb=None,
+            prev_attn=None,
+            mem=None
+    ):
+        b, n, _, h, talking_heads, device = *x.shape, self.heads, self.talking_heads, x.device
+        kv_input = default(context, x)
+
+        q_input = x
+        k_input = kv_input
+        v_input = kv_input
+
+        if exists(mem):
+            k_input = torch.cat((mem, k_input), dim=-2)
+            v_input = torch.cat((mem, v_input), dim=-2)
+
+        if exists(sinusoidal_emb):
+            # in shortformer, the query would start at a position offset depending on the past cached memory
+            offset = k_input.shape[-2] - q_input.shape[-2]
+            q_input = q_input + sinusoidal_emb(q_input, offset=offset)
+            k_input = k_input + sinusoidal_emb(k_input)
+
+        q = self.to_q(q_input)
+        k = self.to_k(k_input)
+        v = self.to_v(v_input)
+
+        q, k, v = map(lambda t: rearrange(t, 'b n (h d) -> b h n d', h=h), (q, k, v))
+
+        input_mask = None
+        if any(map(exists, (mask, context_mask))):
+            q_mask = default(mask, lambda: torch.ones((b, n), device=device).bool())
+            k_mask = q_mask if not exists(context) else context_mask
+            k_mask = default(k_mask, lambda: torch.ones((b, k.shape[-2]), device=device).bool())
+            q_mask = rearrange(q_mask, 'b i -> b () i ()')
+            k_mask = rearrange(k_mask, 'b j -> b () () j')
+            input_mask = q_mask * k_mask
+
+        if self.num_mem_kv > 0:
+            mem_k, mem_v = map(lambda t: repeat(t, 'h n d -> b h n d', b=b), (self.mem_k, self.mem_v))
+            k = torch.cat((mem_k, k), dim=-2)
+            v = torch.cat((mem_v, v), dim=-2)
+            if exists(input_mask):
+                input_mask = F.pad(input_mask, (self.num_mem_kv, 0), value=True)
+
+        dots = einsum('b h i d, b h j d -> b h i j', q, k) * self.scale
+        mask_value = max_neg_value(dots)
+
+        if exists(prev_attn):
+            dots = dots + prev_attn
+
+        pre_softmax_attn = dots
+
+        if talking_heads:
+            dots = einsum('b h i j, h k -> b k i j', dots, self.pre_softmax_proj).contiguous()
+
+        if exists(rel_pos):
+            dots = rel_pos(dots)
+
+        if exists(input_mask):
+            dots.masked_fill_(~input_mask, mask_value)
+            del input_mask
+
+        if self.causal:
+            i, j = dots.shape[-2:]
+            r = torch.arange(i, device=device)
+            mask = rearrange(r, 'i -> () () i ()') < rearrange(r, 'j -> () () () j')
+            mask = F.pad(mask, (j - i, 0), value=False)
+            dots.masked_fill_(mask, mask_value)
+            del mask
+
+        if exists(self.sparse_topk) and self.sparse_topk < dots.shape[-1]:
+            top, _ = dots.topk(self.sparse_topk, dim=-1)
+            vk = top[..., -1].unsqueeze(-1).expand_as(dots)
+            mask = dots < vk
+            dots.masked_fill_(mask, mask_value)
+            del mask
+
+        attn = self.attn_fn(dots, dim=-1)
+        post_softmax_attn = attn
+
+        attn = self.dropout(attn)
+
+        if talking_heads:
+            attn = einsum('b h i j, h k -> b k i j', attn, self.post_softmax_proj).contiguous()
+
+        out = einsum('b h i j, b h j d -> b h i d', attn, v)
+        out = rearrange(out, 'b h n d -> b n (h d)')
+
+        intermediates = Intermediates(
+            pre_softmax_attn=pre_softmax_attn,
+            post_softmax_attn=post_softmax_attn
+        )
+
+        return self.to_out(out), intermediates
+
+
+class AttentionLayers(nn.Module):
+    def __init__(
+            self,
+            dim,
+            depth,
+            heads=8,
+            causal=False,
+            cross_attend=False,
+            only_cross=False,
+            use_scalenorm=False,
+            use_rmsnorm=False,
+            use_rezero=False,
+            rel_pos_num_buckets=32,
+            rel_pos_max_distance=128,
+            position_infused_attn=False,
+            custom_layers=None,
+            sandwich_coef=None,
+            par_ratio=None,
+            residual_attn=False,
+            cross_residual_attn=False,
+            macaron=False,
+            pre_norm=True,
+            gate_residual=False,
+            **kwargs
+    ):
+        super().__init__()
+        ff_kwargs, kwargs = groupby_prefix_and_trim('ff_', kwargs)
+        attn_kwargs, _ = groupby_prefix_and_trim('attn_', kwargs)
+
+        dim_head = attn_kwargs.get('dim_head', DEFAULT_DIM_HEAD)
+
+        self.dim = dim
+        self.depth = depth
+        self.layers = nn.ModuleList([])
+
+        self.has_pos_emb = position_infused_attn
+        self.pia_pos_emb = FixedPositionalEmbedding(dim) if position_infused_attn else None
+        self.rotary_pos_emb = always(None)
+
+        assert rel_pos_num_buckets <= rel_pos_max_distance, 'number of relative position buckets must be less than the relative position max distance'
+        self.rel_pos = None
+
+        self.pre_norm = pre_norm
+
+        self.residual_attn = residual_attn
+        self.cross_residual_attn = cross_residual_attn
+
+        norm_class = ScaleNorm if use_scalenorm else nn.LayerNorm
+        norm_class = RMSNorm if use_rmsnorm else norm_class
+        norm_fn = partial(norm_class, dim)
+
+        norm_fn = nn.Identity if use_rezero else norm_fn
+        branch_fn = Rezero if use_rezero else None
+
+        if cross_attend and not only_cross:
+            default_block = ('a', 'c', 'f')
+        elif cross_attend and only_cross:
+            default_block = ('c', 'f')
+        else:
+            default_block = ('a', 'f')
+
+        if macaron:
+            default_block = ('f',) + default_block
+
+        if exists(custom_layers):
+            layer_types = custom_layers
+        elif exists(par_ratio):
+            par_depth = depth * len(default_block)
+            assert 1 < par_ratio <= par_depth, 'par ratio out of range'
+            default_block = tuple(filter(not_equals('f'), default_block))
+            par_attn = par_depth // par_ratio
+            depth_cut = par_depth * 2 // 3  # 2 / 3 attention layer cutoff suggested by PAR paper
+            par_width = (depth_cut + depth_cut // par_attn) // par_attn
+            assert len(default_block) <= par_width, 'default block is too large for par_ratio'
+            par_block = default_block + ('f',) * (par_width - len(default_block))
+            par_head = par_block * par_attn
+            layer_types = par_head + ('f',) * (par_depth - len(par_head))
+        elif exists(sandwich_coef):
+            assert sandwich_coef > 0 and sandwich_coef <= depth, 'sandwich coefficient should be less than the depth'
+            layer_types = ('a',) * sandwich_coef + default_block * (depth - sandwich_coef) + ('f',) * sandwich_coef
+        else:
+            layer_types = default_block * depth
+
+        self.layer_types = layer_types
+        self.num_attn_layers = len(list(filter(equals('a'), layer_types)))
+
+        for layer_type in self.layer_types:
+            if layer_type == 'a':
+                layer = Attention(dim, heads=heads, causal=causal, **attn_kwargs)
+            elif layer_type == 'c':
+                layer = Attention(dim, heads=heads, **attn_kwargs)
+            elif layer_type == 'f':
+                layer = FeedForward(dim, **ff_kwargs)
+                layer = layer if not macaron else Scale(0.5, layer)
+            else:
+                raise Exception(f'invalid layer type {layer_type}')
+
+            if isinstance(layer, Attention) and exists(branch_fn):
+                layer = branch_fn(layer)
+
+            if gate_residual:
+                residual_fn = GRUGating(dim)
+            else:
+                residual_fn = Residual()
+
+            self.layers.append(nn.ModuleList([
+                norm_fn(),
+                layer,
+                residual_fn
+            ]))
+
+    def forward(
+            self,
+            x,
+            context=None,
+            mask=None,
+            context_mask=None,
+            mems=None,
+            return_hiddens=False
+    ):
+        hiddens = []
+        intermediates = []
+        prev_attn = None
+        prev_cross_attn = None
+
+        mems = mems.copy() if exists(mems) else [None] * self.num_attn_layers
+
+        for ind, (layer_type, (norm, block, residual_fn)) in enumerate(zip(self.layer_types, self.layers)):
+            is_last = ind == (len(self.layers) - 1)
+
+            if layer_type == 'a':
+                hiddens.append(x)
+                layer_mem = mems.pop(0)
+
+            residual = x
+
+            if self.pre_norm:
+                x = norm(x)
+
+            if layer_type == 'a':
+                out, inter = block(x, mask=mask, sinusoidal_emb=self.pia_pos_emb, rel_pos=self.rel_pos,
+                                   prev_attn=prev_attn, mem=layer_mem)
+            elif layer_type == 'c':
+                out, inter = block(x, context=context, mask=mask, context_mask=context_mask, prev_attn=prev_cross_attn)
+            elif layer_type == 'f':
+                out = block(x)
+
+            x = residual_fn(out, residual)
+
+            if layer_type in ('a', 'c'):
+                intermediates.append(inter)
+
+            if layer_type == 'a' and self.residual_attn:
+                prev_attn = inter.pre_softmax_attn
+            elif layer_type == 'c' and self.cross_residual_attn:
+                prev_cross_attn = inter.pre_softmax_attn
+
+            if not self.pre_norm and not is_last:
+                x = norm(x)
+
+        if return_hiddens:
+            intermediates = LayerIntermediates(
+                hiddens=hiddens,
+                attn_intermediates=intermediates
+            )
+
+            return x, intermediates
+
+        return x
+
+
+class Encoder(AttentionLayers):
+    def __init__(self, **kwargs):
+        assert 'causal' not in kwargs, 'cannot set causality on encoder'
+        super().__init__(causal=False, **kwargs)
+
+
+
+class TransformerWrapper(nn.Module):
+    def __init__(
+            self,
+            *,
+            num_tokens,
+            max_seq_len,
+            attn_layers,
+            emb_dim=None,
+            max_mem_len=0.,
+            emb_dropout=0.,
+            num_memory_tokens=None,
+            tie_embedding=False,
+            use_pos_emb=True
+    ):
+        super().__init__()
+        assert isinstance(attn_layers, AttentionLayers), 'attention layers must be one of Encoder or Decoder'
+
+        dim = attn_layers.dim
+        emb_dim = default(emb_dim, dim)
+
+        self.max_seq_len = max_seq_len
+        self.max_mem_len = max_mem_len
+        self.num_tokens = num_tokens
+
+        self.token_emb = nn.Embedding(num_tokens, emb_dim)
+        self.pos_emb = AbsolutePositionalEmbedding(emb_dim, max_seq_len) if (
+                    use_pos_emb and not attn_layers.has_pos_emb) else always(0)
+        self.emb_dropout = nn.Dropout(emb_dropout)
+
+        self.project_emb = nn.Linear(emb_dim, dim) if emb_dim != dim else nn.Identity()
+        self.attn_layers = attn_layers
+        self.norm = nn.LayerNorm(dim)
+
+        self.init_()
+
+        self.to_logits = nn.Linear(dim, num_tokens) if not tie_embedding else lambda t: t @ self.token_emb.weight.t()
+
+        # memory tokens (like [cls]) from Memory Transformers paper
+        num_memory_tokens = default(num_memory_tokens, 0)
+        self.num_memory_tokens = num_memory_tokens
+        if num_memory_tokens > 0:
+            self.memory_tokens = nn.Parameter(torch.randn(num_memory_tokens, dim))
+
+            # let funnel encoder know number of memory tokens, if specified
+            if hasattr(attn_layers, 'num_memory_tokens'):
+                attn_layers.num_memory_tokens = num_memory_tokens
+
+    def init_(self):
+        nn.init.normal_(self.token_emb.weight, std=0.02)
+
+    def forward(
+            self,
+            x,
+            return_embeddings=False,
+            mask=None,
+            return_mems=False,
+            return_attn=False,
+            mems=None,
+            **kwargs
+    ):
+        b, n, device, num_mem = *x.shape, x.device, self.num_memory_tokens
+        x = self.token_emb(x)
+        x += self.pos_emb(x)
+        x = self.emb_dropout(x)
+
+        x = self.project_emb(x)
+
+        if num_mem > 0:
+            mem = repeat(self.memory_tokens, 'n d -> b n d', b=b)
+            x = torch.cat((mem, x), dim=1)
+
+            # auto-handle masking after appending memory tokens
+            if exists(mask):
+                mask = F.pad(mask, (num_mem, 0), value=True)
+
+        x, intermediates = self.attn_layers(x, mask=mask, mems=mems, return_hiddens=True, **kwargs)
+        x = self.norm(x)
+
+        mem, x = x[:, :num_mem], x[:, num_mem:]
+
+        out = self.to_logits(x) if not return_embeddings else x
+
+        if return_mems:
+            hiddens = intermediates.hiddens
+            new_mems = list(map(lambda pair: torch.cat(pair, dim=-2), zip(mems, hiddens))) if exists(mems) else hiddens
+            new_mems = list(map(lambda t: t[..., -self.max_mem_len:, :].detach(), new_mems))
+            return out, new_mems
+
+        if return_attn:
+            attn_maps = list(map(lambda t: t.post_softmax_attn, intermediates.attn_intermediates))
+            return out, attn_maps
+
+        return out
+