"""Standalone AMPLIFY model for HuggingFace Hub (trust_remote_code=True). This is a self-contained file that can be shipped in a HuggingFace repo so that ``AutoModel.from_pretrained(..., trust_remote_code=True)`` works without installing the ``amplify`` package. Based on: https://github.com/chandar-lab/AMPLIFY """ from typing import Tuple import torch from torch import nn from torch.nn.functional import scaled_dot_product_attention from transformers import PreTrainedModel, PretrainedConfig from transformers.modeling_outputs import MaskedLMOutput # Optional: flash attention for packed-sequence training. Not required for # standard inference. try: from flash_attn.flash_attn_interface import flash_attn_varlen_func # type: ignore except ImportError: flash_attn_varlen_func = None # --------------------------------------------------------------------------- # Rotary positional embeddings (inlined from amplify.model.rotary) # --------------------------------------------------------------------------- def precompute_freqs_cis(dim: int, end: int, theta: float = 10000.0): freqs = 1.0 / (theta ** (torch.arange(0, dim, 2)[: (dim // 2)].float() / dim)) t = torch.arange(end, device=freqs.device, dtype=torch.float32) freqs = torch.outer(t, freqs) freqs_cis = torch.polar(torch.ones_like(freqs), freqs) # complex64 return freqs_cis def reshape_for_broadcast(freqs_cis: torch.Tensor, x: torch.Tensor): assert freqs_cis.shape == (x.shape[0], x.shape[1], x.shape[-1]) return freqs_cis.contiguous().unsqueeze(2) def apply_rotary_emb( xq: torch.Tensor, xk: torch.Tensor, freqs_cis: torch.Tensor, ) -> Tuple[torch.Tensor, torch.Tensor]: xq_ = torch.view_as_complex(xq.float().reshape(*xq.shape[:-1], -1, 2)) xk_ = torch.view_as_complex(xk.float().reshape(*xk.shape[:-1], -1, 2)) freqs_cis = reshape_for_broadcast(freqs_cis, xq_) xq_out = torch.view_as_real(xq_ * freqs_cis).flatten(3) xk_out = torch.view_as_real(xk_ * freqs_cis).flatten(3) return xq_out.type_as(xq), xk_out.type_as(xk) # --------------------------------------------------------------------------- # Config # --------------------------------------------------------------------------- class AMPLIFYConfig(PretrainedConfig): model_type = "AMPLIFY" def __init__( self, hidden_size: int = 960, num_hidden_layers: int = 32, num_attention_heads: int = 15, intermediate_size: int = 3840, embedding_init_range: float = 0.02, decoder_init_range: float = 0.02, norm_eps: float = 1e-05, vocab_size: int = 32, pad_token_id: int = 0, max_length: int = 2048, max_protein_length: int = 50000, **kwargs, ): super().__init__(**kwargs) self.hidden_size = hidden_size self.num_hidden_layers = num_hidden_layers self.num_attention_heads = num_attention_heads self.intermediate_size = intermediate_size self.embedding_init_range = embedding_init_range self.decoder_init_range = decoder_init_range self.norm_eps = norm_eps self.vocab_size = vocab_size self.pad_token_id = pad_token_id self.max_length = max_length self.max_protein_length = max_protein_length # --------------------------------------------------------------------------- # Encoder blocks # --------------------------------------------------------------------------- class EncoderBlock(nn.Module): """Standard transformer encoder block with SwiGLU FFN and RoPE.""" def __init__(self, config: AMPLIFYConfig): super().__init__() self.config = config self.d_head = config.hidden_size // config.num_attention_heads # Attention self.qkv = nn.Linear(config.hidden_size, config.hidden_size * 3, bias=False) self.wo = nn.Linear(config.hidden_size, config.hidden_size, bias=False) # SwiGLU FFN multiple_of = 8 intermediate_size = multiple_of * ( (int(2 * config.intermediate_size / 3) + multiple_of - 1) // multiple_of ) self.c_fc = nn.Linear(config.hidden_size, 2 * intermediate_size, bias=False) self.silu = nn.SiLU() self.mlp_c_proj = nn.Linear(intermediate_size, config.hidden_size, bias=False) self.attention_norm = nn.RMSNorm(config.hidden_size, config.norm_eps) self.ffn_norm = nn.RMSNorm(config.hidden_size, config.norm_eps) def forward( self, x: torch.Tensor, attention_mask: torch.Tensor, freqs_cis: torch.Tensor, output_attentions: bool, max_seqlen: int = None, cu_seqlens: torch.Tensor = None, ): batch_size, seq_len, _ = x.shape xq, xk, xv = ( self.qkv(self.attention_norm(x)) .reshape(batch_size, seq_len, self.config.num_attention_heads, self.d_head * 3) .chunk(3, axis=-1) ) xq, xk = apply_rotary_emb(xq, xk, freqs_cis) attn_weights = None if cu_seqlens is not None: assert flash_attn_varlen_func is not None, ( "flash_attn is required for packed-sequence attention. " "Install with: pip install flash-attn" ) attn = flash_attn_varlen_func( q=xq.squeeze(0), k=xk.squeeze(0), v=xv.squeeze(0), cu_seqlens_q=cu_seqlens.squeeze(), cu_seqlens_k=cu_seqlens.squeeze(), max_seqlen_q=max_seqlen, max_seqlen_k=max_seqlen, dropout_p=0.0, causal=False, ) elif output_attentions: attn_weights = xq.permute(0, 2, 1, 3) @ xk.permute(0, 2, 3, 1) / (xq.size(-1) ** 0.5) if attention_mask is not None: attn_weights = attn_weights * attention_mask attn_weights = attn_weights.softmax(-1) attn = attn_weights @ xv.permute(0, 2, 1, 3) attn = attn.transpose(1, 2) else: attn = scaled_dot_product_attention( query=xq.transpose(1, 2), key=xk.transpose(1, 2), value=xv.transpose(1, 2), attn_mask=attention_mask.bool() if attention_mask is not None else None, dropout_p=0, ).transpose(1, 2) attn = self.wo(attn.reshape(batch_size, seq_len, self.config.num_attention_heads * self.d_head)) x = x + attn uv = self.c_fc(self.ffn_norm(x)) u, v = torch.chunk(uv, 2, dim=-1) x_mlp = u * self.silu(v) h_mlp = self.mlp_c_proj(x_mlp) x = x + h_mlp return x, attn_weights # --------------------------------------------------------------------------- # Model # --------------------------------------------------------------------------- class AMPLIFYPreTrainedModel(PreTrainedModel): config_class = AMPLIFYConfig def _init_weights(self, module): if isinstance(module, nn.Linear): module.weight.data.uniform_( -self.config.decoder_init_range, self.config.decoder_init_range ) elif isinstance(module, nn.Embedding): module.weight.data.uniform_( -self.config.embedding_init_range, self.config.embedding_init_range ) class AMPLIFY(AMPLIFYPreTrainedModel): """AMPLIFY protein language model. A transformer encoder for protein sequences using RoPE and SwiGLU, trained with masked language modelling. """ def __init__(self, config: AMPLIFYConfig, **kwargs): super().__init__(config) self.config = config self.encoder = nn.Embedding( config.vocab_size, config.hidden_size, padding_idx=config.pad_token_id ) self.transformer_encoder = nn.ModuleList() for _ in range(config.num_hidden_layers): self.transformer_encoder.append(EncoderBlock(config)) self.layer_norm = nn.RMSNorm(config.hidden_size, config.norm_eps) self.decoder = nn.Linear(config.hidden_size, config.vocab_size) freqs_cis = precompute_freqs_cis( config.hidden_size // config.num_attention_heads, config.max_protein_length * 2, ) self.register_buffer("freqs_cis", freqs_cis, persistent=False) self.post_init() def forward( self, input_ids: torch.Tensor, position_ids: torch.Tensor = None, max_seqlen: int = None, cu_seqlens: torch.Tensor = None, attention_mask: torch.Tensor = None, output_hidden_states: bool = False, output_attentions: bool = False, ): hidden_states, attentions = [], [] if isinstance(output_hidden_states, bool) and not output_hidden_states: output_hidden_index = self.config.num_hidden_layers + 1 elif isinstance(output_hidden_states, int): output_hidden_index = output_hidden_states else: output_hidden_index = 0 if attention_mask is not None: attention_mask = ( attention_mask.unsqueeze(1) .unsqueeze(1) .repeat(1, self.config.num_attention_heads, attention_mask.size(-1), 1) ) if cu_seqlens is not None: assert not output_attentions, "Output attentions is not supported when sequences are packed." assert max_seqlen is not None, "Missing max_seqlen. It must be provided when cu_seqlens are not None." assert input_ids.shape[0] == 1, "Cumulative sequence lengths are provided but input_ids are not packed." assert input_ids.is_cuda, "Packing uses flash-attention and is only supported on GPU." # RoPE if position_ids is not None: freqs_cis = self.freqs_cis[position_ids] else: freqs_cis = ( self.freqs_cis[: input_ids.shape[1]] .unsqueeze(0) .repeat(input_ids.shape[0], 1, 1) ) x = self.encoder(input_ids) for idx, layer in enumerate(self.transformer_encoder): x, attn = layer(x, attention_mask, freqs_cis, output_attentions, max_seqlen, cu_seqlens) if idx >= output_hidden_index: hidden_states.append(x) if output_attentions: attentions.append(attn) logits = self.decoder(self.layer_norm(x)) return MaskedLMOutput( logits=logits, hidden_states=hidden_states, attentions=attentions, )