Taykhoom commited on
Commit
6af52a6
·
verified ·
1 Parent(s): 11208ac

Upload folder using huggingface_hub

Browse files
README.md ADDED
@@ -0,0 +1,129 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ---
2
+ language:
3
+ - rna
4
+ library_name: transformers
5
+ tags:
6
+ - RNA
7
+ - language-model
8
+ license: mit
9
+ ---
10
+
11
+ # RNA-FM
12
+
13
+ A 12-layer BERT-style transformer pre-trained on 23.7 million non-coding RNA sequences via masked language modelling.
14
+
15
+ ## Architecture
16
+
17
+ | Parameter | Value |
18
+ |---|---|
19
+ | Layers | 12 |
20
+ | Attention heads | 20 |
21
+ | Embedding dimension | 640 |
22
+ | FFN dimension | 5120 |
23
+ | Vocabulary size | 25 |
24
+ | Positional encoding | Learned |
25
+ | Architecture | ESM-1b-style pre-LN Transformer |
26
+ | Max sequence length | 1024 tokens |
27
+
28
+ Vocabulary: `<cls>`, `<pad>`, `<eos>`, `<unk>`, A, C, G, U, R, Y, K, M, S, W, B, D, H, V, N, `-`, and 4 null-padding tokens, `<mask>`.
29
+
30
+ ## Pretraining
31
+
32
+ - **Objective:** Masked language modelling (BERT-style, 15% masking rate)
33
+ - **Data:** RNAcentral100 -- 23.7 million non-coding RNA sequences
34
+ - **Source checkpoint:** `RNA-FM_pretrained.pth` from [cuhkaih/rnafm](https://huggingface.co/cuhkaih/rnafm)
35
+
36
+ ## Parity Verification
37
+
38
+ Hidden-state representations verified identical (max abs diff = 0.00) to the original
39
+ implementation at all 13 representation levels (embedding + 12 transformer layers).
40
+ Verified on GPU (CUDA) with PyTorch 2.7 / transformers 4.57.6. SDPA numerical
41
+ differences are expected (~1e-4 max diff over 12 layers) and are not a correctness issue.
42
+
43
+ ## Related Models
44
+
45
+ See the full [RNA-FM collection](https://huggingface.co/collections/Taykhoom/rna-fm-TODO).
46
+
47
+ | Model | Training data | Embedding dim | Notes |
48
+ |---|---|---|---|
49
+ | **[RNA-FM](https://huggingface.co/Taykhoom/RNA-FM)** | 23.7 M ncRNA | 640 | This model |
50
+ | [mRNA-FM](https://huggingface.co/Taykhoom/mRNA-FM) | 45 M CDS | 1280 | Codon (3-mer) tokenisation |
51
+
52
+ ## Usage
53
+
54
+ ### Embedding generation
55
+
56
+ ```python
57
+ import torch
58
+ from transformers import AutoTokenizer, AutoModel
59
+
60
+ tokenizer = AutoTokenizer.from_pretrained("Taykhoom/RNA-FM", trust_remote_code=True)
61
+ model = AutoModel.from_pretrained("Taykhoom/RNA-FM", trust_remote_code=True)
62
+ model.eval()
63
+
64
+ sequences = [
65
+ "GGGUGCGAUCAUACCAGCACUAAUGCCCUCCUGGGAAGUCCUCGUGUUGCACCCCU",
66
+ "AUCGGGCUUAGCAUAGCUU",
67
+ ]
68
+ enc = tokenizer(sequences, return_tensors="pt", padding=True)
69
+
70
+ with torch.no_grad():
71
+ out = model(**enc)
72
+
73
+ cls_emb = out.last_hidden_state[:, 0, :] # (batch, 640) -- CLS token
74
+ token_emb = out.last_hidden_state # (batch, seq_len, 640) -- per-token
75
+
76
+ # Intermediate layers
77
+ out_all = model(**enc, output_hidden_states=True)
78
+ layer6_emb = out_all.hidden_states[6] # layer 0 = embedding, 1-12 = transformer layers
79
+ ```
80
+
81
+ ### MLM logits
82
+
83
+ ```python
84
+ import torch
85
+ from transformers import AutoTokenizer, AutoModelForMaskedLM
86
+
87
+ tokenizer = AutoTokenizer.from_pretrained("Taykhoom/RNA-FM", trust_remote_code=True)
88
+ model = AutoModelForMaskedLM.from_pretrained("Taykhoom/RNA-FM", trust_remote_code=True)
89
+ model.eval()
90
+
91
+ enc = tokenizer(["GGG<mask>GCGAU"], return_tensors="pt")
92
+ with torch.no_grad():
93
+ logits = model(**enc).logits # (1, seq_len, 25)
94
+ ```
95
+
96
+ ### Fine-tuning
97
+
98
+ Standard HF conventions. Use the CLS token embedding (`out.last_hidden_state[:, 0, :]`) as
99
+ input to a classification or regression head for sequence-level tasks.
100
+
101
+ ## Implementation Notes
102
+
103
+ The original implementation uses `F.multi_head_attention_forward` (eager). This HF port adds
104
+ `attn_implementation="sdpa"` and `attn_implementation="flash_attention_2"` support, which were
105
+ not part of the original codebase.
106
+
107
+ Input sequences are expected to use RNA notation (U not T).
108
+
109
+ ## Citation
110
+
111
+ ```bibtex
112
+ @article{chen2022_rnafm,
113
+ title = {Interpretable {RNA} Foundation Model from Unannotated Data for Highly Accurate {RNA} Structure and Function Predictions},
114
+ author = {Chen, Jiayang and Hu, Zhihang and Sun, Siqi and Tan, Qingxiong and Wang, Yixuan and Yu, Qinze and Zong, Licheng and Hong, Liang and Xiao, Jin and Shen, Tao and King, Irwin and Li, Yu},
115
+ journal = {arXiv preprint arXiv:2204.00300},
116
+ year = {2022},
117
+ doi = {10.48550/arXiv.2204.00300}
118
+ }
119
+ ```
120
+
121
+ ## Credits
122
+
123
+ Original model and code by Chen et al. Source: [GitHub](https://github.com/ml4bio/RNA-FM).
124
+ The HF conversion code was authored primarily by [Claude Code](https://claude.ai/code)
125
+ and reviewed manually by Taykhoom Dalal.
126
+
127
+ ## License
128
+
129
+ MIT, following the original repository.
config.json ADDED
@@ -0,0 +1,21 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "architectures": [
3
+ "RnaFmForMaskedLM"
4
+ ],
5
+ "attention_heads": 20,
6
+ "cls_idx": 0,
7
+ "dtype": "float32",
8
+ "emb_layer_norm_before": true,
9
+ "embed_dim": 640,
10
+ "eos_idx": 2,
11
+ "ffn_embed_dim": 5120,
12
+ "mask_idx": 24,
13
+ "model_max_length": 1024,
14
+ "model_type": "rnafm",
15
+ "model_variant": "rna",
16
+ "num_layers": 12,
17
+ "padding_idx": 1,
18
+ "token_dropout": false,
19
+ "transformers_version": "4.57.6",
20
+ "vocab_size": 25
21
+ }
configuration_rnafm.py ADDED
@@ -0,0 +1,43 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ from transformers import PretrainedConfig
2
+
3
+
4
+ class RnaFmConfig(PretrainedConfig):
5
+ model_type = "rnafm"
6
+
7
+ auto_map = {
8
+ "AutoConfig": "configuration_rnafm.RnaFmConfig",
9
+ "AutoModel": "modeling_rnafm.RnaFmModel",
10
+ "AutoModelForMaskedLM": "modeling_rnafm.RnaFmForMaskedLM",
11
+ "AutoTokenizer": ["tokenization_rnafm.RnaFmTokenizer", None],
12
+ }
13
+
14
+ def __init__(
15
+ self,
16
+ vocab_size: int = 25,
17
+ num_layers: int = 12,
18
+ embed_dim: int = 640,
19
+ ffn_embed_dim: int = 5120,
20
+ attention_heads: int = 20,
21
+ padding_idx: int = 1,
22
+ mask_idx: int = 24,
23
+ cls_idx: int = 0,
24
+ eos_idx: int = 2,
25
+ token_dropout: bool = False,
26
+ emb_layer_norm_before: bool = True,
27
+ model_max_length: int = 1024,
28
+ model_variant: str = "rna",
29
+ **kwargs,
30
+ ):
31
+ super().__init__(padding_idx=padding_idx, **kwargs)
32
+ self.vocab_size = vocab_size
33
+ self.num_layers = num_layers
34
+ self.embed_dim = embed_dim
35
+ self.ffn_embed_dim = ffn_embed_dim
36
+ self.attention_heads = attention_heads
37
+ self.mask_idx = mask_idx
38
+ self.cls_idx = cls_idx
39
+ self.eos_idx = eos_idx
40
+ self.token_dropout = token_dropout
41
+ self.emb_layer_norm_before = emb_layer_norm_before
42
+ self.model_max_length = model_max_length
43
+ self.model_variant = model_variant
model.safetensors ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:a4d6145635750eab16d913393e6d00146a9d94d8542bc6dd1d534fc71421f0db
3
+ size 398106596
modeling_rnafm.py ADDED
@@ -0,0 +1,355 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ import math
2
+
3
+ import torch
4
+ import torch.nn as nn
5
+ import torch.nn.functional as F
6
+
7
+ from transformers import PreTrainedModel
8
+ from transformers.modeling_outputs import BaseModelOutput, MaskedLMOutput
9
+
10
+ try:
11
+ from .configuration_rnafm import RnaFmConfig
12
+ except ImportError:
13
+ from configuration_rnafm import RnaFmConfig
14
+
15
+
16
+ def gelu(x):
17
+ return x * 0.5 * (1.0 + torch.erf(x / math.sqrt(2.0)))
18
+
19
+
20
+ class RnaFmLearnedPositionalEmbedding(nn.Embedding):
21
+ def __init__(self, num_embeddings: int, embedding_dim: int, padding_idx: int):
22
+ num_embeddings_ = num_embeddings + padding_idx + 1
23
+ super().__init__(num_embeddings_, embedding_dim, padding_idx)
24
+ self.max_positions = num_embeddings
25
+
26
+ def forward(self, input: torch.Tensor):
27
+ mask = input.ne(self.padding_idx).int()
28
+ positions = (torch.cumsum(mask, dim=1).type_as(mask) * mask).long() + self.padding_idx
29
+ return F.embedding(
30
+ positions,
31
+ self.weight,
32
+ self.padding_idx,
33
+ self.max_norm,
34
+ self.norm_type,
35
+ self.scale_grad_by_freq,
36
+ self.sparse,
37
+ )
38
+
39
+
40
+ class RnaFmAttention(nn.Module):
41
+ def __init__(self, config: RnaFmConfig):
42
+ super().__init__()
43
+ self.embed_dim = config.embed_dim
44
+ self.num_heads = config.attention_heads
45
+ self.head_dim = config.embed_dim // config.attention_heads
46
+ self.scaling = self.head_dim ** -0.5
47
+
48
+ self.k_proj = nn.Linear(self.embed_dim, self.embed_dim)
49
+ self.v_proj = nn.Linear(self.embed_dim, self.embed_dim)
50
+ self.q_proj = nn.Linear(self.embed_dim, self.embed_dim)
51
+ self.out_proj = nn.Linear(self.embed_dim, self.embed_dim)
52
+
53
+ def _project(self, x):
54
+ tgt_len, bsz, _ = x.size()
55
+ q = self.q_proj(x) * self.scaling
56
+ k = self.k_proj(x)
57
+ v = self.v_proj(x)
58
+ q = q.contiguous().view(tgt_len, bsz * self.num_heads, self.head_dim).transpose(0, 1)
59
+ k = k.contiguous().view(tgt_len, bsz * self.num_heads, self.head_dim).transpose(0, 1)
60
+ v = v.contiguous().view(tgt_len, bsz * self.num_heads, self.head_dim).transpose(0, 1)
61
+ return q, k, v, tgt_len, bsz
62
+
63
+ def forward(self, x, key_padding_mask=None, output_attentions=False):
64
+ q, k, v, tgt_len, bsz = self._project(x)
65
+
66
+ attn_weights = torch.bmm(q, k.transpose(1, 2))
67
+
68
+ if key_padding_mask is not None:
69
+ attn_weights = attn_weights.view(bsz, self.num_heads, tgt_len, tgt_len)
70
+ attn_weights = attn_weights.masked_fill(
71
+ key_padding_mask.unsqueeze(1).unsqueeze(2), float("-inf")
72
+ )
73
+ attn_weights = attn_weights.view(bsz * self.num_heads, tgt_len, tgt_len)
74
+
75
+ attn_weights_float = F.softmax(attn_weights, dim=-1, dtype=torch.float32)
76
+ attn_probs = attn_weights_float.type_as(attn_weights)
77
+
78
+ attn = torch.bmm(attn_probs, v)
79
+ attn = attn.transpose(0, 1).contiguous().view(tgt_len, bsz, self.embed_dim)
80
+ attn = self.out_proj(attn)
81
+
82
+ if output_attentions:
83
+ weights = attn_weights_float.view(bsz, self.num_heads, tgt_len, tgt_len)
84
+ return attn, weights
85
+ return attn, None
86
+
87
+
88
+ class RnaFmSdpaAttention(RnaFmAttention):
89
+ def forward(self, x, key_padding_mask=None, output_attentions=False):
90
+ if output_attentions:
91
+ return super().forward(x, key_padding_mask, output_attentions=True)
92
+
93
+ tgt_len, bsz, _ = x.size()
94
+ q = self.q_proj(x)
95
+ k = self.k_proj(x)
96
+ v = self.v_proj(x)
97
+
98
+ q = q.view(tgt_len, bsz, self.num_heads, self.head_dim).permute(1, 2, 0, 3)
99
+ k = k.view(tgt_len, bsz, self.num_heads, self.head_dim).permute(1, 2, 0, 3)
100
+ v = v.view(tgt_len, bsz, self.num_heads, self.head_dim).permute(1, 2, 0, 3)
101
+
102
+ attn_mask = None
103
+ if key_padding_mask is not None:
104
+ attn_mask = torch.zeros(bsz, 1, 1, tgt_len, dtype=q.dtype, device=q.device)
105
+ attn_mask = attn_mask.masked_fill(
106
+ key_padding_mask.unsqueeze(1).unsqueeze(2), float("-inf")
107
+ )
108
+
109
+ out = F.scaled_dot_product_attention(q, k, v, attn_mask=attn_mask)
110
+
111
+ out = out.permute(2, 0, 1, 3).contiguous().view(tgt_len, bsz, self.embed_dim)
112
+ return self.out_proj(out), None
113
+
114
+
115
+ class RnaFmFlashAttention2(RnaFmAttention):
116
+ def forward(self, x, key_padding_mask=None, output_attentions=False):
117
+ if output_attentions:
118
+ return super().forward(x, key_padding_mask, output_attentions=True)
119
+
120
+ try:
121
+ from flash_attn import flash_attn_func
122
+ from flash_attn.bert_padding import pad_input, unpad_input
123
+ except ImportError as e:
124
+ raise ImportError(
125
+ "flash_attn is required for attn_implementation='flash_attention_2'. "
126
+ "Install with: pip install flash-attn --no-build-isolation"
127
+ ) from e
128
+
129
+ tgt_len, bsz, _ = x.size()
130
+ q = self.q_proj(x)
131
+ k = self.k_proj(x)
132
+ v = self.v_proj(x)
133
+
134
+ q = q.view(tgt_len, bsz, self.num_heads, self.head_dim).permute(1, 0, 2, 3)
135
+ k = k.view(tgt_len, bsz, self.num_heads, self.head_dim).permute(1, 0, 2, 3)
136
+ v = v.view(tgt_len, bsz, self.num_heads, self.head_dim).permute(1, 0, 2, 3)
137
+
138
+ orig_dtype = q.dtype
139
+ if q.dtype not in (torch.float16, torch.bfloat16):
140
+ q, k, v = q.to(torch.bfloat16), k.to(torch.bfloat16), v.to(torch.bfloat16)
141
+
142
+ softmax_scale = self.head_dim ** -0.5
143
+
144
+ if key_padding_mask is not None and key_padding_mask.any():
145
+ attention_mask_bool = ~key_padding_mask
146
+ q_unpad, indices, cu_seqlens, max_seqlen, _ = unpad_input(q, attention_mask_bool)
147
+ k_unpad, *_ = unpad_input(k, attention_mask_bool)
148
+ v_unpad, *_ = unpad_input(v, attention_mask_bool)
149
+
150
+ from flash_attn import flash_attn_varlen_func
151
+ out_unpad = flash_attn_varlen_func(
152
+ q_unpad, k_unpad, v_unpad,
153
+ cu_seqlens_q=cu_seqlens, cu_seqlens_k=cu_seqlens,
154
+ max_seqlen_q=max_seqlen, max_seqlen_k=max_seqlen,
155
+ softmax_scale=softmax_scale,
156
+ causal=False,
157
+ )
158
+ out = pad_input(out_unpad, indices, bsz, tgt_len)
159
+ else:
160
+ out = flash_attn_func(q, k, v, softmax_scale=softmax_scale, causal=False)
161
+
162
+ out = out.to(orig_dtype).permute(1, 0, 2, 3).contiguous().view(tgt_len, bsz, self.embed_dim)
163
+ return self.out_proj(out), None
164
+
165
+
166
+ RNAFM_ATTENTION_CLASSES = {
167
+ "eager": RnaFmAttention,
168
+ "sdpa": RnaFmSdpaAttention,
169
+ "flash_attention_2": RnaFmFlashAttention2,
170
+ }
171
+
172
+
173
+ class RnaFmLayer(nn.Module):
174
+ def __init__(self, config: RnaFmConfig):
175
+ super().__init__()
176
+ attn_cls = RNAFM_ATTENTION_CLASSES[getattr(config, "_attn_implementation", "eager")]
177
+ self.self_attn = attn_cls(config)
178
+ self.self_attn_layer_norm = nn.LayerNorm(config.embed_dim)
179
+ self.fc1 = nn.Linear(config.embed_dim, config.ffn_embed_dim)
180
+ self.fc2 = nn.Linear(config.ffn_embed_dim, config.embed_dim)
181
+ self.final_layer_norm = nn.LayerNorm(config.embed_dim)
182
+
183
+ def forward(self, x, key_padding_mask=None, output_attentions=False):
184
+ residual = x
185
+ x = self.self_attn_layer_norm(x)
186
+ x, attn = self.self_attn(x, key_padding_mask=key_padding_mask, output_attentions=output_attentions)
187
+ x = residual + x
188
+
189
+ residual = x
190
+ x = self.final_layer_norm(x)
191
+ x = gelu(self.fc1(x))
192
+ x = self.fc2(x)
193
+ x = residual + x
194
+
195
+ return x, attn
196
+
197
+
198
+ class RnaFmPreTrainedModel(PreTrainedModel):
199
+ config_class = RnaFmConfig
200
+ base_model_prefix = "rnafm"
201
+ _supports_sdpa = True
202
+ _supports_flash_attn_2 = True
203
+
204
+ def _init_weights(self, module):
205
+ if isinstance(module, nn.Linear):
206
+ nn.init.xavier_uniform_(module.weight)
207
+ if module.bias is not None:
208
+ nn.init.constant_(module.bias, 0.0)
209
+ elif isinstance(module, nn.Embedding):
210
+ nn.init.normal_(module.weight, mean=0.0, std=0.02)
211
+ if module.padding_idx is not None:
212
+ module.weight.data[module.padding_idx].zero_()
213
+
214
+
215
+ class RnaFmModel(RnaFmPreTrainedModel):
216
+ def __init__(self, config: RnaFmConfig):
217
+ super().__init__(config)
218
+ self.embed_tokens = nn.Embedding(config.vocab_size, config.embed_dim, padding_idx=config.padding_idx)
219
+ self.embed_positions = RnaFmLearnedPositionalEmbedding(config.model_max_length, config.embed_dim, config.padding_idx)
220
+ self.emb_layer_norm_before = nn.LayerNorm(config.embed_dim) if config.emb_layer_norm_before else None
221
+ self.layers = nn.ModuleList([RnaFmLayer(config) for _ in range(config.num_layers)])
222
+ self.emb_layer_norm_after = nn.LayerNorm(config.embed_dim)
223
+ self.post_init()
224
+
225
+ def forward(
226
+ self,
227
+ input_ids,
228
+ attention_mask=None,
229
+ output_hidden_states=None,
230
+ output_attentions=None,
231
+ return_dict=None,
232
+ ):
233
+ output_hidden_states = output_hidden_states if output_hidden_states is not None else self.config.output_hidden_states
234
+ output_attentions = output_attentions if output_attentions is not None else self.config.output_attentions
235
+ return_dict = return_dict if return_dict is not None else self.config.use_return_dict
236
+
237
+ if attention_mask is not None:
238
+ padding_mask = attention_mask.eq(0)
239
+ else:
240
+ padding_mask = input_ids.eq(self.config.padding_idx)
241
+
242
+ x = self.embed_tokens(input_ids)
243
+
244
+ if self.config.token_dropout:
245
+ x.masked_fill_((input_ids == self.config.mask_idx).unsqueeze(-1), 0.0)
246
+ mask_ratio_train = 0.15 * 0.8
247
+ src_lengths = (~padding_mask).sum(-1)
248
+ mask_ratio_observed = (input_ids == self.config.mask_idx).sum(-1).to(x.dtype) / src_lengths.to(x.dtype)
249
+ x = x * (1 - mask_ratio_train) / (1 - mask_ratio_observed)[:, None, None]
250
+
251
+ x = x + self.embed_positions(input_ids)
252
+
253
+ if self.emb_layer_norm_before is not None:
254
+ x = self.emb_layer_norm_before(x)
255
+
256
+ if padding_mask.any():
257
+ x = x * (1 - padding_mask.unsqueeze(-1).to(x.dtype))
258
+ else:
259
+ padding_mask = None
260
+
261
+ all_hidden_states = []
262
+ all_attentions = []
263
+
264
+ if output_hidden_states:
265
+ all_hidden_states.append(x)
266
+
267
+ x = x.transpose(0, 1)
268
+
269
+ for layer in self.layers:
270
+ x, attn = layer(x, key_padding_mask=padding_mask, output_attentions=output_attentions)
271
+ if output_hidden_states:
272
+ all_hidden_states.append(x.transpose(0, 1))
273
+ if output_attentions and attn is not None:
274
+ all_attentions.append(attn)
275
+
276
+ x = self.emb_layer_norm_after(x)
277
+ x = x.transpose(0, 1)
278
+
279
+ if output_hidden_states:
280
+ all_hidden_states[-1] = x
281
+
282
+ return BaseModelOutput(
283
+ last_hidden_state=x,
284
+ hidden_states=tuple(all_hidden_states) if output_hidden_states else None,
285
+ attentions=tuple(all_attentions) if output_attentions else None,
286
+ )
287
+
288
+
289
+ class RnaFmLMHead(nn.Module):
290
+ def __init__(self, config: RnaFmConfig):
291
+ super().__init__()
292
+ self.dense = nn.Linear(config.embed_dim, config.embed_dim)
293
+ self.layer_norm = nn.LayerNorm(config.embed_dim)
294
+ self.decoder = nn.Linear(config.embed_dim, config.vocab_size, bias=True)
295
+
296
+ def forward(self, features):
297
+ x = self.dense(features)
298
+ x = gelu(x)
299
+ x = self.layer_norm(x)
300
+ x = self.decoder(x)
301
+ return x
302
+
303
+
304
+ class RnaFmForMaskedLM(RnaFmPreTrainedModel):
305
+ _tied_weights_keys = ["lm_head.decoder.weight"]
306
+
307
+ def __init__(self, config: RnaFmConfig):
308
+ super().__init__(config)
309
+ self.rnafm = RnaFmModel(config)
310
+ self.lm_head = RnaFmLMHead(config)
311
+ self.post_init()
312
+
313
+ def get_input_embeddings(self):
314
+ return self.rnafm.embed_tokens
315
+
316
+ def set_input_embeddings(self, value):
317
+ self.rnafm.embed_tokens = value
318
+
319
+ def get_output_embeddings(self):
320
+ return self.lm_head.decoder
321
+
322
+ def set_output_embeddings(self, new_embeddings):
323
+ self.lm_head.decoder = new_embeddings
324
+
325
+ def forward(
326
+ self,
327
+ input_ids,
328
+ attention_mask=None,
329
+ labels=None,
330
+ output_hidden_states=None,
331
+ output_attentions=None,
332
+ return_dict=None,
333
+ ):
334
+ return_dict = return_dict if return_dict is not None else self.config.use_return_dict
335
+ out = self.rnafm(
336
+ input_ids,
337
+ attention_mask=attention_mask,
338
+ output_hidden_states=output_hidden_states,
339
+ output_attentions=output_attentions,
340
+ return_dict=return_dict,
341
+ )
342
+ logits = self.lm_head(out.last_hidden_state)
343
+ loss = None
344
+ if labels is not None:
345
+ loss = F.cross_entropy(
346
+ logits.view(-1, self.config.vocab_size),
347
+ labels.view(-1),
348
+ ignore_index=-100,
349
+ )
350
+ return MaskedLMOutput(
351
+ loss=loss,
352
+ logits=logits,
353
+ hidden_states=out.hidden_states,
354
+ attentions=out.attentions,
355
+ )
special_tokens_map.json ADDED
@@ -0,0 +1,7 @@
 
 
 
 
 
 
 
 
1
+ {
2
+ "cls_token": "<cls>",
3
+ "eos_token": "<eos>",
4
+ "mask_token": "<mask>",
5
+ "pad_token": "<pad>",
6
+ "unk_token": "<unk>"
7
+ }
tokenization_rnafm.py ADDED
@@ -0,0 +1,111 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ import json
2
+ import os
3
+
4
+ from transformers import PreTrainedTokenizer
5
+
6
+
7
+ _RNA_VOCAB = {
8
+ "<cls>": 0, "<pad>": 1, "<eos>": 2, "<unk>": 3,
9
+ "A": 4, "C": 5, "G": 6, "U": 7,
10
+ "R": 8, "Y": 9, "K": 10, "M": 11,
11
+ "S": 12, "W": 13, "B": 14, "D": 15,
12
+ "H": 16, "V": 17, "N": 18, "-": 19,
13
+ "<null_1>": 20, "<null_2>": 21, "<null_3>": 22, "<null_4>": 23,
14
+ "<mask>": 24,
15
+ }
16
+
17
+ _MRNA_VOCAB = {
18
+ "<cls>": 0, "<pad>": 1, "<eos>": 2, "<unk>": 3,
19
+ "GAG": 4, "AAG": 5, "GAA": 6, "CUG": 7, "CAG": 8, "GAU": 9,
20
+ "AAA": 10, "GUG": 11, "GAC": 12, "AUG": 13, "GCC": 14, "AAC": 15,
21
+ "GCU": 16, "AAU": 17, "AUC": 18, "UUC": 19, "GGA": 20, "AUU": 21,
22
+ "GGC": 22, "UUU": 23, "CCA": 24, "AGC": 25, "GCA": 26, "UCU": 27,
23
+ "CUC": 28, "ACC": 29, "CAA": 30, "CCU": 31, "UCC": 32, "ACA": 33,
24
+ "UUG": 34, "GUU": 35, "CUU": 36, "UAC": 37, "ACU": 38, "CCC": 39,
25
+ "UCA": 40, "GUC": 41, "GGU": 42, "CAC": 43, "AGU": 44, "UAU": 45,
26
+ "AGA": 46, "CAU": 47, "GGG": 48, "UGG": 49, "UGC": 50, "AGG": 51,
27
+ "UGU": 52, "AUA": 53, "CGC": 54, "UUA": 55, "GCG": 56, "CGG": 57,
28
+ "CCG": 58, "GUA": 59, "CUA": 60, "ACG": 61, "UCG": 62, "CGA": 63,
29
+ "CGU": 64, "UGA": 65, "UAA": 66, "UAG": 67,
30
+ "<null_1>": 68, "<null_2>": 69, "<null_3>": 70, "<null_4>": 71,
31
+ "<mask>": 72,
32
+ }
33
+
34
+
35
+ class RnaFmTokenizer(PreTrainedTokenizer):
36
+ vocab_files_names = {"vocab_file": "vocab.json"}
37
+ model_input_names = ["input_ids", "attention_mask"]
38
+
39
+ def __init__(
40
+ self,
41
+ vocab_file=None,
42
+ k_mer: int = 1,
43
+ cls_token="<cls>",
44
+ pad_token="<pad>",
45
+ eos_token="<eos>",
46
+ unk_token="<unk>",
47
+ mask_token="<mask>",
48
+ **kwargs,
49
+ ):
50
+ self.k_mer = k_mer
51
+ if vocab_file and os.path.isfile(vocab_file):
52
+ with open(vocab_file) as f:
53
+ self._vocab = json.load(f)
54
+ else:
55
+ self._vocab = dict(_MRNA_VOCAB if k_mer == 3 else _RNA_VOCAB)
56
+ self._ids_to_tokens = {v: k for k, v in self._vocab.items()}
57
+ super().__init__(
58
+ cls_token=cls_token,
59
+ pad_token=pad_token,
60
+ eos_token=eos_token,
61
+ unk_token=unk_token,
62
+ mask_token=mask_token,
63
+ k_mer=k_mer,
64
+ **kwargs,
65
+ )
66
+
67
+ @property
68
+ def vocab_size(self):
69
+ return len(self._vocab)
70
+
71
+ def get_vocab(self):
72
+ return dict(self._vocab)
73
+
74
+ def _tokenize(self, text):
75
+ if self.k_mer == 1:
76
+ return list(text)
77
+ return [text[i:i + self.k_mer] for i in range(0, len(text), self.k_mer)]
78
+
79
+ def _convert_token_to_id(self, token):
80
+ return self._vocab.get(token, self._vocab["<unk>"])
81
+
82
+ def _convert_id_to_token(self, index):
83
+ return self._ids_to_tokens.get(index, "<unk>")
84
+
85
+ def save_vocabulary(self, save_directory, filename_prefix=None):
86
+ os.makedirs(save_directory, exist_ok=True)
87
+ fname = (filename_prefix + "-" if filename_prefix else "") + "vocab.json"
88
+ path = os.path.join(save_directory, fname)
89
+ with open(path, "w") as f:
90
+ json.dump(self._vocab, f, indent=2)
91
+ return (path,)
92
+
93
+ def build_inputs_with_special_tokens(self, token_ids_0, token_ids_1=None):
94
+ cls = [self.cls_token_id]
95
+ eos = [self.eos_token_id]
96
+ if token_ids_1 is None:
97
+ return cls + token_ids_0 + eos
98
+ return cls + token_ids_0 + eos + cls + token_ids_1 + eos
99
+
100
+ def get_special_tokens_mask(self, token_ids_0, token_ids_1=None, already_has_special_tokens=False):
101
+ if already_has_special_tokens:
102
+ return super().get_special_tokens_mask(token_ids_0, token_ids_1, already_has_special_tokens=True)
103
+ mask = [1] + [0] * len(token_ids_0) + [1]
104
+ if token_ids_1 is not None:
105
+ mask += [1] + [0] * len(token_ids_1) + [1]
106
+ return mask
107
+
108
+ def create_token_type_ids_from_sequences(self, token_ids_0, token_ids_1=None):
109
+ if token_ids_1 is None:
110
+ return [0] * (len(token_ids_0) + 2)
111
+ return [0] * (len(token_ids_0) + 2) + [0] * (len(token_ids_1) + 2)
tokenizer_config.json ADDED
@@ -0,0 +1,54 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "added_tokens_decoder": {
3
+ "0": {
4
+ "content": "<cls>",
5
+ "lstrip": false,
6
+ "normalized": false,
7
+ "rstrip": false,
8
+ "single_word": false,
9
+ "special": true
10
+ },
11
+ "1": {
12
+ "content": "<pad>",
13
+ "lstrip": false,
14
+ "normalized": false,
15
+ "rstrip": false,
16
+ "single_word": false,
17
+ "special": true
18
+ },
19
+ "2": {
20
+ "content": "<eos>",
21
+ "lstrip": false,
22
+ "normalized": false,
23
+ "rstrip": false,
24
+ "single_word": false,
25
+ "special": true
26
+ },
27
+ "3": {
28
+ "content": "<unk>",
29
+ "lstrip": false,
30
+ "normalized": false,
31
+ "rstrip": false,
32
+ "single_word": false,
33
+ "special": true
34
+ },
35
+ "24": {
36
+ "content": "<mask>",
37
+ "lstrip": false,
38
+ "normalized": false,
39
+ "rstrip": false,
40
+ "single_word": false,
41
+ "special": true
42
+ }
43
+ },
44
+ "clean_up_tokenization_spaces": false,
45
+ "cls_token": "<cls>",
46
+ "eos_token": "<eos>",
47
+ "extra_special_tokens": {},
48
+ "k_mer": 1,
49
+ "mask_token": "<mask>",
50
+ "model_max_length": 1024,
51
+ "pad_token": "<pad>",
52
+ "tokenizer_class": "RnaFmTokenizer",
53
+ "unk_token": "<unk>"
54
+ }
vocab.json ADDED
@@ -0,0 +1,27 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "<cls>": 0,
3
+ "<pad>": 1,
4
+ "<eos>": 2,
5
+ "<unk>": 3,
6
+ "A": 4,
7
+ "C": 5,
8
+ "G": 6,
9
+ "U": 7,
10
+ "R": 8,
11
+ "Y": 9,
12
+ "K": 10,
13
+ "M": 11,
14
+ "S": 12,
15
+ "W": 13,
16
+ "B": 14,
17
+ "D": 15,
18
+ "H": 16,
19
+ "V": 17,
20
+ "N": 18,
21
+ "-": 19,
22
+ "<null_1>": 20,
23
+ "<null_2>": 21,
24
+ "<null_3>": 22,
25
+ "<null_4>": 23,
26
+ "<mask>": 24
27
+ }