--- library_name: transformers tags: - biology - RNA - language-model - bert license: mit --- # structRFM Minimal HuggingFace port of [structRFM](https://huggingface.co/heqin-zhu/structRFM) -- a structure-guided RNA foundation model: a BERT encoder pretrained with structure-guided masked language modeling on ~21M RNAcentral sequences paired with ensemble-predicted secondary structures. ## Why this port? [heqin-zhu/structRFM](https://huggingface.co/heqin-zhu/structRFM) ships the weights as a stock `BertForMaskedLM`, but its tokenizer has no post-processing template or normalizer. Upstream code builds the model input by hand (`"[CLS]" + seq.upper().replace("T", "U") + "[SEP]"`); calling its `AutoTokenizer` directly on a sequence silently: 1. adds **no** `[CLS]` / `[SEP]` tokens, and 2. maps `T` and every lowercase base to `[UNK]`. This repo's tokenizer applies the upstream preprocessing itself (uppercase, T->U, `[CLS] ... [SEP]`), so `tokenizer(seq)` produces exactly the token ids the model was pretrained on. It also adds `flash_attention_2` support. The weights are unchanged and bit-exact with the upstream release (see [Parity Verification](#parity-verification)). ## Architecture | Parameter | Value | |---|---| | Layers | 12 | | Attention heads | 12 | | Embedding dimension | 768 | | FFN hidden dimension | 3072 (GELU) | | Vocabulary size | 10 | | Positional encoding | Learned absolute | | Normalization | LayerNorm (post-residual, eps=1e-12) | | Architecture | Post-LN BERT encoder | | Max sequence length | 512 nt (514 tokens with [CLS] and [SEP]) | | Parameters | 85.5M (encoder) + 0.6M (MLM head) | **Vocabulary:** `[UNK]`=0, `[CLS]`=1, `[SEP]`=2, `[PAD]`=3, `[MASK]`=4, `A`=5, `U`=6, `C`=7, `G`=8, `N`=9. Input is uppercased and `T` is read as `U`; any other character (including whitespace) maps to `[UNK]`, as upstream. ## Pretraining - **Objective:** Structure-guided masked language modeling (SgMLM): each batch uses either standard 15% token masking or structure masking, where masking a paired base also masks its partner; the share of structure-masked batches is scheduled over training - **Data:** ~21M RNAcentral sequences (<= 512 nt) with secondary structures from MUSES, a multi-source ensemble of thermodynamic, probabilistic and deep-learning predictors - **Source checkpoint:** `structRFM_checkpoint.tar.gz` from the upstream [v0.0.8 release](https://github.com/heqin-zhu/structRFM/releases/tag/v0.0.8) (identical to [`heqin-zhu/structRFM`](https://huggingface.co/heqin-zhu/structRFM)) ### Checkpoint selection Upstream released two pretrained models: v0.0.3, pretrained on single-predictor (BPfold) structures, and v0.0.8, re-pretrained on MUSES ensemble structures. v0.0.8 replaced v0.0.3 on the Hub and is the base of every released downstream checkpoint, so it is the one ported here. The released secondary-structure (`structRFM_SSP_bpRNA1m.pt`, `structRFM_SSP_RNAStrAlign.pt`), tertiary-structure and IRES checkpoints train a task head on detached encoder features, so their encoder weights are bit-identical to this model; use this repo for their embeddings. ## Parity Verification All 13 representation levels (embedding + 12 transformer blocks) and the MLM logits verified to be bit-exact (max abs diff = 0.00) against the original v0.0.8 weights run through the upstream `structRFM` code, with `eager` and `sdpa` attention, on padded and unpadded batches. The tokenizer reproduces the upstream token ids exactly. Verified on an NVIDIA H100 with PyTorch 2.7 / CUDA 12.9. ## Related Models See the full [structRFM collection](https://huggingface.co/collections/Taykhoom/structrfm-6aebd71d994e3b036c62ed23). | Model | Parameters | Notes | |---|---:|---| | **[structRFM](https://huggingface.co/Taykhoom/structRFM)** | 86M | This model | ## Usage ### Embedding generation ```python import torch from transformers import AutoTokenizer, AutoModel tokenizer = AutoTokenizer.from_pretrained("Taykhoom/structRFM", trust_remote_code=True) model = AutoModel.from_pretrained("Taykhoom/structRFM", trust_remote_code=True) model.eval() sequences = ["GUCCCAACUCUUGCGGGGAGGGAU", "ATGGCTACGTAG"] # T is read as U enc = tokenizer(sequences, return_tensors="pt", padding=True) with torch.no_grad(): out = model(**enc) cls_emb = out.last_hidden_state[:, 0, :] # (batch, 768) -- CLS token token_emb = out.last_hidden_state # (batch, seq_len, 768) # Mean over nucleotides only (drop [CLS], [SEP] and padding) special = torch.isin(enc.input_ids, torch.tensor([tokenizer.cls_token_id, tokenizer.sep_token_id])) mask = (enc.attention_mask.bool() & ~special).unsqueeze(-1) mean_emb = (token_emb * mask).sum(1) / mask.sum(1) # (batch, 768) # Intermediate layers: hidden_states[0] is the embedding, [i] block i out_all = model(**enc, output_hidden_states=True) layer6_emb = out_all.hidden_states[6] ``` Sequences longer than 512 nt must be split into windows (e.g. 512 nt chunks) and the per-window embeddings pooled. ### MLM logits ```python import torch from transformers import AutoTokenizer, AutoModelForMaskedLM tokenizer = AutoTokenizer.from_pretrained("Taykhoom/structRFM", trust_remote_code=True) model = AutoModelForMaskedLM.from_pretrained("Taykhoom/structRFM", trust_remote_code=True) model.eval() enc = tokenizer(["GUCCCAAC[MASK]CUUGCGG"], return_tensors="pt") with torch.no_grad(): logits = model(**enc).logits # (1, seq_len, 10) ``` ### Faster attention backends ```python # SDPA (PyTorch 2.0+) -- recommended for production model = AutoModel.from_pretrained("Taykhoom/structRFM", trust_remote_code=True, attn_implementation="sdpa") # Flash Attention 2 (requires flash-attn) -- fastest on long sequences model = AutoModel.from_pretrained("Taykhoom/structRFM", trust_remote_code=True, attn_implementation="flash_attention_2", dtype=torch.bfloat16) ``` | Backend | Status | |---|---| | `eager` | Supported; bit-exact with upstream eager | | `sdpa` | Supported; bit-exact with upstream (the upstream default backend) | | `flash_attention_2` | Supported (added by this port); requires fp16/bf16 weights | `output_attentions=True` falls back to eager under `sdpa` and `flash_attention_2` and returns post-softmax attention probabilities `(batch, heads, seq_len, seq_len)`. ### Fine-tuning Standard HF conventions. For sequence-level tasks, use the CLS embedding or a masked mean over nucleotide positions as input to a prediction head; for nucleotide- or pair-level tasks use `last_hidden_state` directly. `gradient_checkpointing_enable()` is supported. ## Implementation Notes This port reuses the shared [BERT-updated](https://huggingface.co/Taykhoom/BERT-updated) runtime (identical to the stock `transformers` BERT architecture), which adds `flash_attention_2` alongside `eager` and `sdpa`. The MLM decoder is tied to the input embeddings, as in the upstream checkpoint. `config.pad_token_id` is 0 (`[UNK]`), the value in the upstream config, while the tokenizer pads with `[PAD]`=3. The config value only sets the embedding's `padding_idx` (no gradient into that row during fine-tuning) and is kept for fidelity; padding is controlled by `attention_mask`. The pooler (`pooler_output`) is not part of the pretrained checkpoint and is randomly initialized; do not use it without fine-tuning. ## Citation ```bibtex @article{zhu2026_structrfm, title = {An open structure-guided {RNA} foundation model for generalizable prediction}, author = {Zhu, Heqin and Li, Ruifeng and Chang, Ao and Chen, Haobin and Zhang, Feng and Tang, Fenghe and Ye, Tong and Li, Xin and Gu, Yunjie and Xiong, Peng and Zhou, S. Kevin}, journal = {Nature}, year = {2026}, doi = {10.1038/s41586-026-11210-2} } ``` ## Credits Original model and code by Zhu et al. Source: [GitHub](https://github.com/heqin-zhu/structRFM), [`heqin-zhu/structRFM` on the Hub](https://huggingface.co/heqin-zhu/structRFM). Hugging Face port maintained by Taykhoom Dalal. ## License MIT, following the original repository.