Instructions to use Synthyra/ESMplusplus_large with libraries, inference providers, notebooks, and local apps. Follow these links to get started.
- Libraries
- Transformers
How to use Synthyra/ESMplusplus_large with Transformers:
# Use a pipeline as a high-level helper from transformers import pipeline pipe = pipeline("fill-mask", model="Synthyra/ESMplusplus_large", trust_remote_code=True)# Load model directly from transformers import AutoModelForMaskedLM model = AutoModelForMaskedLM.from_pretrained("Synthyra/ESMplusplus_large", trust_remote_code=True, device_map="auto") - Notebooks
- Google Colab
- Kaggle
Update FastPLMs files
Browse files- README.md +107 -54
- THIRD_PARTY_NOTICES.md +3 -3
- fastplms/models.toml +8 -7
- fastplms/models/esm_plusplus/modeling_esm_plusplus.py +533 -88
- fastplms_bundle.py +0 -0
- modeling_fastplms.py +1 -1
README.md
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# Synthyra/ESMplusplus_large
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This checkpoint
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Accepted inputs are amino-acid sequences tokenized to residue IDs.
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Supported Transformers entry points are `AutoConfig`, `AutoModel`,
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| Attention variants | Special: SDPA fidelity path; alternate backends have explicit bands |
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| Compliance | Declared: exact release evidence is required |
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A supported interface is not a pretrained downstream predictor. Classification
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heads start untrained, and declared compliance metadata is not a claim that an
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arbitrary local build passed its release gate.
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## Install and platform requirements
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"https://huggingface.co/Synthyra/ESMplusplus_large/resolve/main/requirements.txt"
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```
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The FastPLMs implementation itself is embedded in the model repository
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Python 3.11-3.14, PyTorch 2.13, and Transformers 5.13
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## Quick start
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```
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For offline validation, replace `model_id` with the manifest-built
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`dist/hub/ESMplusplus_large` path
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## Attention and compliance
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The quick start selects `sdpa` explicitly. Declared variants are `eager`, `sdpa`, `flex_attention`, `flash_attention_2`,
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`flash_attention_3`. An unavailable requested backend raises
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silently
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`output_attentions=True`
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This family declares the `compliance` tier. Release evidence
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checkpoint, backend, dtype, hardware, inputs, and reference revision.
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## Tokenization and forward inference
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Load the tokenizer from the same artifact as the model.
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-
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```python
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import torch
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## Dataset embeddings
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The shared embedding mixin
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```python
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pooled = model.embed_dataset(
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```
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Set `output` and `format="safetensors"` or `"sqlite"` for transactional,
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bounded-memory
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policy, backend, dtype, and pooling configuration before
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## PEFT fine-tuning
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Install the
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```bash
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python -m pip install "datasets>=4.8,<5" "peft>=0.19,<0.20"
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)
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```
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This checkpoint has no advertised classifier. Supply the task
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All FastPLMs checkpoints follow the Transformers `PreTrainedModel` contract and
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can
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support boundary. Record the target modules, base revision, data identity, and
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trainable parameter scope.
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## Test-time training
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TTT samples masked views of one protein and updates only injected low-rank
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adapters. Base checkpoint weights
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```python
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from transformers import AutoModelForMaskedLM
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print(metrics)
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```
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-
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-
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## ESMC behavior
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This artifact
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head through Transformers.
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-
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biological disagreement remain hard gates.
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The current GH200/aarch64 release environment validates eager, SDPA, and Flex.
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Flash requests
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When `sequence_id` is supplied, it
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| Backend | Support | Measurement status |
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| --- | --- | --- |
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- Advertised AutoClasses: `AutoConfig`, `AutoModel`, `AutoModelForMaskedLM`
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- AutoClass weight status: `AutoConfig` = `FastPLMs extension`, `AutoModel` = `pretrained`, `AutoModelForMaskedLM` = `pretrained`
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- Attention implementations: `eager`, `sdpa`, `flex_attention`, `flash_attention_2`, `flash_attention_3`
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- Precision policies: `default`
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- BF16 execution: `static_parameters`
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- Generation contract: `not_applicable`
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- Artifact dependency set: `core`
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## Release record
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- FastPLMs weights: `Synthyra/ESMplusplus_large`
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- Runtime revision: recorded
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- Source-tree and runtime-bundle SHA-256: recorded in
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- Official checkpoint: `biohub/ESMC-600M`
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- Artifact source: `fast`
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- State transform: `esmc_to_fastplms_v1`
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- Release tiers: `check`, `compliance`, `feature`, `artifact`, `benchmark`
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- Unresolved required file identities: `0`
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-
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legal texts, schema, and attestations. A nonzero unresolved count blocks release.
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## Validation boundary
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Declared tiers compare
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valid.
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## License
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Checkpoint terms: MIT. The Hub model-card identifier is
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`mit`.
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-
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before use.
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# Synthyra/ESMplusplus_large
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This checkpoint contains the FastPLMs `ESMC` implementation.
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Accepted inputs are amino-acid sequences tokenized to residue IDs.
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Supported Transformers entry points are `AutoConfig`, `AutoModel`,
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| Attention variants | Special: SDPA fidelity path; alternate backends have explicit bands |
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| Compliance | Declared: exact release evidence is required |
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A supported interface is not a pretrained downstream predictor. Classification heads start untrained. Compliance metadata does not show that a local build passed its release gate.
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## Install and platform requirements
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"https://huggingface.co/Synthyra/ESMplusplus_large/resolve/main/requirements.txt"
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```
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The FastPLMs implementation itself is embedded in the model repository.
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Transformers loads it through `trust_remote_code=True`.
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This model requires Python 3.11-3.14, PyTorch 2.13, and Transformers 5.13. The artifact requirements include the FlashAttention loader dependency. FlashAttention also requires compatible CUDA hardware and BF16 execution. The Hub quick start needs network access for
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the first download. For an air-gapped run, build the manifest-pinned local
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artifact first and use the offline example.
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## Quick start
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```
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For offline validation, replace `model_id` with the manifest-built
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`dist/hub/ESMplusplus_large` path. Pass `local_files_only=True`.
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## Attention and compliance
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The quick start selects `sdpa` explicitly. Declared variants are `eager`, `sdpa`, `flex_attention`, `flash_attention_2`,
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`flash_attention_3`. An unavailable requested backend raises. It does not
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silently change implementation.
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`output_attentions=True` can use the documented one-call eager fallback to
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materialize attention tensors. The configured backend does not change.
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This family declares the `compliance` tier. Release evidence identifies the
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checkpoint, backend, dtype, hardware, inputs, and reference revision.
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## Tokenization and forward inference
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Load the tokenizer from the same artifact as the model. The attention mask
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shows padding explicitly:
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```python
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import torch
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## Dataset embeddings
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The shared embedding mixin keeps input order and biological-position masking.
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It accepts sequences, identified records, mappings, or a FASTA path:
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```python
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pooled = model.embed_dataset(
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```
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Set `output` and `format="safetensors"` or `"sqlite"` for transactional,
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bounded-memory storage. Resume checks input order, model state, tokenizer
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policy, backend, dtype, and pooling configuration before it appends data.
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## PEFT fine-tuning
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Install the training dependencies. Then attach LoRA to the loaded checkpoint:
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```bash
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python -m pip install "datasets>=4.8,<5" "peft>=0.19,<0.20"
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)
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```
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This checkpoint has no advertised classifier. Supply the task objective and
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preserve any new head through `modules_to_save`.
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All FastPLMs checkpoints follow the Transformers `PreTrainedModel` contract and
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can use PEFT. The ESM2-specific shipped CLI is an example, not a
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support boundary. Record the target modules, base revision, data identity, and
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trainable parameter scope.
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## Test-time training
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TTT samples masked views of one protein and updates only injected low-rank
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adapters. Base checkpoint weights stay frozen:
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```python
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from transformers import AutoModelForMaskedLM
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print(metrics)
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```
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Saved adapters retain their deterministic reset state. TTT adds latency and
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memory, can worsen an output, and does not show biological function.
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## ESMC behavior
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This artifact provides the Biohub ESMC sequence encoder and masked-language-
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model head through Transformers. ESMFold2 also uses this language-model family.
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SDPA is the default and gives the highest numerical fidelity. Flex Attention and
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FlashAttention 3 are supported non-experimental backends. Their BF16 arithmetic
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can differ numerically from SDPA. These differences give diagnostic warnings,
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not strict-parity failures. Dispatch, masks, finite outputs, shapes, and large
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biological disagreements remain hard gates.
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The current GH200/aarch64 release environment validates eager, SDPA, and Flex.
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Flash requests raise because compatible locked kernels are unavailable on this
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platform.
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When `sequence_id` is supplied, it controls ESMC attention groups and padding.
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`attention_mask` is ignored. Values greater than or equal to zero are valid
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sequence-group IDs. `-1` marks padding. Omit `sequence_id` to use
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`attention_mask` for padding.
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### Hidden-state sparse autoencoders
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ESM++ supports hidden-state SAEs from the official
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[Biohub ESMC SAE collection](https://huggingface.co/collections/biohub/esmc-saes-for-hidden-states-all-layers).
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Select an SAE for this ESMC scale. Load only required layers. Then attach them
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to the model:
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```python
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import torch
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from transformers import AutoModel
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sae = AutoModel.from_pretrained("biohub/ESMC-600M-sae-layer27-k64-codebook65536", device=model.device)
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sae.initialize_layers([27])
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model.add_sae_models([sae.layers["27"]])
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with torch.inference_mode():
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output = model(**batch, normalize_sae=True)
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features = output.sae_outputs["layer27"]
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print(features.shape, features.layout) # (valid_token_count, codebook_dim), sparse COO
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```
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SAEs run after you attach them. Use `compute_sae=False` to skip SAE work.
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Outputs are detached sparse tensors with keys such as `layer{N}`. They omit
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padding. The model uses `sequence_id`, then `attention_mask`, for padding.
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`normalize_sae=True` uses Biohub `(features / max) * idf` normalization. SAE
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computation requires `input_ids`. It rejects mask tokens because Biohub trained
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the SAEs with unmasked sequences. This interface supports hidden-state SAEs
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only, not MLP-output SAEs. FastPLMs does not copy SAE weights or add SAE
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checkpoints to its model manifest.
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### Experimental FP8 inference
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The default uses checkpoint BF16 behavior. FP8 is an explicit experimental
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inference option for every ESM++ scale:
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```python
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import torch
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from transformers import AutoModel
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fp8_model = AutoModel.from_pretrained(
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"Synthyra/ESMplusplus_large",
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trust_remote_code=True,
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dtype=torch.bfloat16,
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).cuda().eval()
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fp8_model.enable_fp8()
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print(fp8_model.esmc_precision_status)
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with torch.inference_mode():
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fp8_output = fp8_model(**{name: value.cuda() for name, value in batch.items()})
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```
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FP8 forward calls require `torch.inference_mode()`. The model pads the sequence
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dimension to a multiple of 16. Transformer Engine converts supported linear
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layers. The call fails if the dependency, compatible CUDA hardware, or complete
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conversion set is unavailable. It does not silently use BF16. FP8 does not
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claim numerical parity.
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| Backend | Support | Measurement status |
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| --- | --- | --- |
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- Advertised AutoClasses: `AutoConfig`, `AutoModel`, `AutoModelForMaskedLM`
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- AutoClass weight status: `AutoConfig` = `FastPLMs extension`, `AutoModel` = `pretrained`, `AutoModelForMaskedLM` = `pretrained`
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- Attention implementations: `eager`, `sdpa`, `flex_attention`, `flash_attention_2`, `flash_attention_3`
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- Precision policies: `default`, `fp8` (experimental)
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- BF16 execution: `static_parameters`
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- Generation contract: `not_applicable`
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- Artifact dependency set: `core`
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## Release record
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- FastPLMs weights: `Synthyra/ESMplusplus_large`
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- Runtime revision: recorded in the built artifact and published commit
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- Source-tree and runtime-bundle SHA-256: recorded in the source record
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- Official checkpoint: `biohub/ESMC-600M`
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- Artifact source: `fast`
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- State transform: `esmc_to_fastplms_v1`
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- Release tiers: `check`, `compliance`, `feature`, `artifact`, `benchmark`
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- Unresolved required file identities: `0`
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The source record records exact file identities, conversion, source revisions,
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legal texts, schema, and attestations. A nonzero unresolved count blocks a release.
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## Validation boundary
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Declared tiers compare configuration, tokenizer behavior, state, and
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representative inference with the pinned reference. Metadata does not show that
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a build passed, that a backend is faster, or that an output is biologically valid.
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## License
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Checkpoint terms: MIT. The Hub model-card identifier is
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`mit`. The local artifact contains applicable source
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licenses, notices, attribution, and conversion records. Review them before use.
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|
THIRD_PARTY_NOTICES.md
CHANGED
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DPLM2 weights, and the same revision carries the complete
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[Apache-2.0 license](https://github.com/bytedance/dplm/blob/8a2e15e53416b4536f03f79ad1f6f6a9cbd5e19d/LICENSE).
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FastPLMs records both checkpoint families as Apache-2.0 and distributes the
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verbatim license plus `LICENSES/dplm/
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those terms and remain subject to the ordinary artifact and publication gates.
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## Biohub
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|
| 80 |
revision are pinned in `docker/constraints/esmfold.txt`; OpenFold imports them
|
| 81 |
eagerly, and FastPLMs production code does not depend on them. DLLogger's exact
|
| 82 |
source identity and installed-license handling are recorded in
|
| 83 |
-
`LICENSES/dllogger/
|
| 84 |
|
| 85 |
## ProteinTTT
|
| 86 |
|
|
@@ -93,7 +93,7 @@ revision-specific provenance are under `LICENSES/protein-ttt/`.
|
|
| 93 |
For every supported family, `src/fastplms/models.toml` records an immutable
|
| 94 |
official checkpoint revision, an immutable FastPLMs checkpoint revision, file
|
| 95 |
digests, a named state transformation, and a mechanism-level conversion record.
|
| 96 |
-
Generated artifacts reproduce that record in `
|
| 97 |
artifact build must fail when a required file identity, legal text, attribution
|
| 98 |
notice, modified-file notice, upstream revision, or conversion record is absent
|
| 99 |
or differs from its manifest digest.
|
|
|
|
| 46 |
DPLM2 weights, and the same revision carries the complete
|
| 47 |
[Apache-2.0 license](https://github.com/bytedance/dplm/blob/8a2e15e53416b4536f03f79ad1f6f6a9cbd5e19d/LICENSE).
|
| 48 |
FastPLMs records both checkpoint families as Apache-2.0 and distributes the
|
| 49 |
+
verbatim license plus `LICENSES/dplm/SOURCE_RECORD.md`. Converted weights retain
|
| 50 |
those terms and remain subject to the ordinary artifact and publication gates.
|
| 51 |
|
| 52 |
## Biohub
|
|
|
|
| 80 |
revision are pinned in `docker/constraints/esmfold.txt`; OpenFold imports them
|
| 81 |
eagerly, and FastPLMs production code does not depend on them. DLLogger's exact
|
| 82 |
source identity and installed-license handling are recorded in
|
| 83 |
+
`LICENSES/dllogger/SOURCE_RECORD.md`.
|
| 84 |
|
| 85 |
## ProteinTTT
|
| 86 |
|
|
|
|
| 93 |
For every supported family, `src/fastplms/models.toml` records an immutable
|
| 94 |
official checkpoint revision, an immutable FastPLMs checkpoint revision, file
|
| 95 |
digests, a named state transformation, and a mechanism-level conversion record.
|
| 96 |
+
Generated artifacts reproduce that record in `source-record.json`. A release or
|
| 97 |
artifact build must fail when a required file identity, legal text, attribution
|
| 98 |
notice, modified-file notice, upstream revision, or conversion record is absent
|
| 99 |
or differs from its manifest digest.
|
fastplms/models.toml
CHANGED
|
@@ -88,7 +88,7 @@ license_files = ["LICENSE"]
|
|
| 88 |
license_digests = ["LICENSE=sha256:cfc7749b96f63bd31c3c42b5c471bf756814053e847c10f3eb003417bc523d30"]
|
| 89 |
distribution_files = [
|
| 90 |
"LICENSE=sha256:cfc7749b96f63bd31c3c42b5c471bf756814053e847c10f3eb003417bc523d30",
|
| 91 |
-
"
|
| 92 |
]
|
| 93 |
|
| 94 |
[[upstreams]]
|
|
@@ -122,7 +122,7 @@ license_files = ["LICENSE"]
|
|
| 122 |
license_digests = ["LICENSE=sha256:da6d3703ed11cbe42bd212c725957c98da23cbff1998c05fa4b3d976d1a58e93"]
|
| 123 |
distribution_files = [
|
| 124 |
"LICENSE=sha256:da6d3703ed11cbe42bd212c725957c98da23cbff1998c05fa4b3d976d1a58e93",
|
| 125 |
-
"
|
| 126 |
]
|
| 127 |
|
| 128 |
[[upstreams]]
|
|
@@ -136,7 +136,7 @@ license_digests = ["LICENSE=sha256:cfc7749b96f63bd31c3c42b5c471bf756814053e847c1
|
|
| 136 |
distribution_files = [
|
| 137 |
"LICENSE=sha256:cfc7749b96f63bd31c3c42b5c471bf756814053e847c10f3eb003417bc523d30",
|
| 138 |
"MODIFICATIONS.md=sha256:fd6f0aa1086a0c996cf967b326d18e965660cda0ad5c7f36a3474a8490720da3",
|
| 139 |
-
"
|
| 140 |
]
|
| 141 |
|
| 142 |
[[upstreams]]
|
|
@@ -149,7 +149,7 @@ license_files = ["LICENSE"]
|
|
| 149 |
license_digests = ["LICENSE=sha256:bb01e7d5554f9e2e117172e56551452f68a7818df7bc8e71cd7a776a1d4ba3df"]
|
| 150 |
distribution_files = [
|
| 151 |
"LICENSE=sha256:bb01e7d5554f9e2e117172e56551452f68a7818df7bc8e71cd7a776a1d4ba3df",
|
| 152 |
-
"
|
| 153 |
]
|
| 154 |
|
| 155 |
[families.esm2]
|
|
@@ -187,7 +187,8 @@ reference_adapter = "tests.parity.support.reference_adapters.esm_plusplus"
|
|
| 187 |
attention = ["eager", "sdpa", "flex_attention", "flash_attention_2", "flash_attention_3"]
|
| 188 |
dtypes = ["float32", "bfloat16"]
|
| 189 |
bf16_execution = "static_parameters"
|
| 190 |
-
precisions = ["default"]
|
|
|
|
| 191 |
vram_tier = "sequence"
|
| 192 |
checkpoint_license = "MIT"
|
| 193 |
hub_license = "mit"
|
|
@@ -267,7 +268,7 @@ checkpoint_license = "Apache-2.0"
|
|
| 267 |
hub_license = "apache-2.0"
|
| 268 |
weights_publication_allowed = true
|
| 269 |
state_transform = "dplm_to_fastplms_v1"
|
| 270 |
-
conversion_provenance = "Input: the pinned official DPLM1 checkpoint. Transformation: apply dplm_to_fastplms_v1, omitting the unused absolute-position table for rotary checkpoints and materializing the tied input/output embedding values as independent tensors. Output: the pinned Synthyra DPLM checkpoint. Validation: release parity compares exact state identity after the declared transform, tokenizer behavior, generation, and inference. License basis: the pinned ByteDance DPLM Apache-2.0 LICENSE and README explicitly scope the repository release to the pretrained DPLM1 and DPLM2 weights; immutable evidence is recorded in LICENSES/dplm/
|
| 271 |
representative = "dplm_150m"
|
| 272 |
documentation = "docs/models.md#dplm"
|
| 273 |
test_tiers = ["check", "compliance", "feature", "artifact", "benchmark"]
|
|
@@ -291,7 +292,7 @@ checkpoint_license = "Apache-2.0"
|
|
| 291 |
hub_license = "apache-2.0"
|
| 292 |
weights_publication_allowed = true
|
| 293 |
state_transform = "dplm2_to_fastplms_v1"
|
| 294 |
-
conversion_provenance = "Input: the pinned official DPLM2 checkpoint. Transformation: apply dplm2_to_fastplms_v1, retaining the independent language-model head and trained encoder contact head while omitting the unused absolute-position table for rotary checkpoints. Output: the pinned Synthyra DPLM2 checkpoint. Validation: release parity compares exact keys and values after the declared omission, non-aliasing, tokenizer behavior, generation, and inference. License basis: the pinned ByteDance DPLM Apache-2.0 LICENSE and README explicitly scope the repository release to the pretrained DPLM1 and DPLM2 weights; immutable evidence is recorded in LICENSES/dplm/
|
| 295 |
representative = "dplm2_150m"
|
| 296 |
documentation = "docs/models.md#dplm2"
|
| 297 |
test_tiers = ["check", "compliance", "feature", "artifact", "benchmark"]
|
|
|
|
| 88 |
license_digests = ["LICENSE=sha256:cfc7749b96f63bd31c3c42b5c471bf756814053e847c10f3eb003417bc523d30"]
|
| 89 |
distribution_files = [
|
| 90 |
"LICENSE=sha256:cfc7749b96f63bd31c3c42b5c471bf756814053e847c10f3eb003417bc523d30",
|
| 91 |
+
"SOURCE_RECORD.md=sha256:a659f74be9073cf1ad2d2f7071531ca56959b421f111152cf4c41184ace5970e",
|
| 92 |
]
|
| 93 |
|
| 94 |
[[upstreams]]
|
|
|
|
| 122 |
license_digests = ["LICENSE=sha256:da6d3703ed11cbe42bd212c725957c98da23cbff1998c05fa4b3d976d1a58e93"]
|
| 123 |
distribution_files = [
|
| 124 |
"LICENSE=sha256:da6d3703ed11cbe42bd212c725957c98da23cbff1998c05fa4b3d976d1a58e93",
|
| 125 |
+
"SOURCE_RECORD.md=sha256:950adb94daf15e646ddf226dacfe2a8e77801aa0793e439a9a3490a48eb666e7",
|
| 126 |
]
|
| 127 |
|
| 128 |
[[upstreams]]
|
|
|
|
| 136 |
distribution_files = [
|
| 137 |
"LICENSE=sha256:cfc7749b96f63bd31c3c42b5c471bf756814053e847c10f3eb003417bc523d30",
|
| 138 |
"MODIFICATIONS.md=sha256:fd6f0aa1086a0c996cf967b326d18e965660cda0ad5c7f36a3474a8490720da3",
|
| 139 |
+
"SOURCE_RECORD.md=sha256:48c903db43a217a3126afaefbac60b7ddac7efda2dfcc0cbff0bffc7d6c30081",
|
| 140 |
]
|
| 141 |
|
| 142 |
[[upstreams]]
|
|
|
|
| 149 |
license_digests = ["LICENSE=sha256:bb01e7d5554f9e2e117172e56551452f68a7818df7bc8e71cd7a776a1d4ba3df"]
|
| 150 |
distribution_files = [
|
| 151 |
"LICENSE=sha256:bb01e7d5554f9e2e117172e56551452f68a7818df7bc8e71cd7a776a1d4ba3df",
|
| 152 |
+
"SOURCE_RECORD.md=sha256:dc641c37353c2efd50ccbdb316ca4aae495ec02c1563e0e15bac92f75fc482e5",
|
| 153 |
]
|
| 154 |
|
| 155 |
[families.esm2]
|
|
|
|
| 187 |
attention = ["eager", "sdpa", "flex_attention", "flash_attention_2", "flash_attention_3"]
|
| 188 |
dtypes = ["float32", "bfloat16"]
|
| 189 |
bf16_execution = "static_parameters"
|
| 190 |
+
precisions = ["default", "fp8"]
|
| 191 |
+
experimental_precisions = ["fp8"]
|
| 192 |
vram_tier = "sequence"
|
| 193 |
checkpoint_license = "MIT"
|
| 194 |
hub_license = "mit"
|
|
|
|
| 268 |
hub_license = "apache-2.0"
|
| 269 |
weights_publication_allowed = true
|
| 270 |
state_transform = "dplm_to_fastplms_v1"
|
| 271 |
+
conversion_provenance = "Input: the pinned official DPLM1 checkpoint. Transformation: apply dplm_to_fastplms_v1, omitting the unused absolute-position table for rotary checkpoints and materializing the tied input/output embedding values as independent tensors. Output: the pinned Synthyra DPLM checkpoint. Validation: release parity compares exact state identity after the declared transform, tokenizer behavior, generation, and inference. License basis: the pinned ByteDance DPLM Apache-2.0 LICENSE and README explicitly scope the repository release to the pretrained DPLM1 and DPLM2 weights; immutable evidence is recorded in LICENSES/dplm/SOURCE_RECORD.md. Limitation: redistribution remains subject to Apache-2.0 and the pinned source record; no broader rights are inferred."
|
| 272 |
representative = "dplm_150m"
|
| 273 |
documentation = "docs/models.md#dplm"
|
| 274 |
test_tiers = ["check", "compliance", "feature", "artifact", "benchmark"]
|
|
|
|
| 292 |
hub_license = "apache-2.0"
|
| 293 |
weights_publication_allowed = true
|
| 294 |
state_transform = "dplm2_to_fastplms_v1"
|
| 295 |
+
conversion_provenance = "Input: the pinned official DPLM2 checkpoint. Transformation: apply dplm2_to_fastplms_v1, retaining the independent language-model head and trained encoder contact head while omitting the unused absolute-position table for rotary checkpoints. Output: the pinned Synthyra DPLM2 checkpoint. Validation: release parity compares exact keys and values after the declared omission, non-aliasing, tokenizer behavior, generation, and inference. License basis: the pinned ByteDance DPLM Apache-2.0 LICENSE and README explicitly scope the repository release to the pretrained DPLM1 and DPLM2 weights; immutable evidence is recorded in LICENSES/dplm/SOURCE_RECORD.md. Limitation: no head exception is permitted by this source record, and redistribution remains subject to Apache-2.0."
|
| 296 |
representative = "dplm2_150m"
|
| 297 |
documentation = "docs/models.md#dplm2"
|
| 298 |
test_tiers = ["check", "compliance", "feature", "artifact", "benchmark"]
|
fastplms/models/esm_plusplus/modeling_esm_plusplus.py
CHANGED
|
@@ -2,13 +2,17 @@
|
|
| 2 |
|
| 3 |
from __future__ import annotations
|
| 4 |
|
|
|
|
|
|
|
| 5 |
import math
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 6 |
import torch
|
| 7 |
import torch.nn as nn
|
| 8 |
import torch.nn.functional as F
|
| 9 |
-
from dataclasses import dataclass
|
| 10 |
-
from functools import partial
|
| 11 |
-
from typing import ClassVar
|
| 12 |
from einops import rearrange
|
| 13 |
from tokenizers import Tokenizer
|
| 14 |
from tokenizers.models import BPE
|
|
@@ -61,6 +65,151 @@ except ModuleNotFoundError as error:
|
|
| 61 |
# Legacy flat Hub composites define every shared symbol above this block.
|
| 62 |
|
| 63 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
| 64 |
class ESMplusplusConfig(PretrainedConfig):
|
| 65 |
"""Configuration class for ESM++ model.
|
| 66 |
|
|
@@ -616,6 +765,8 @@ class TransformerOutput(ModelOutput):
|
|
| 616 |
hidden_states: tuple[torch.Tensor] | None = None
|
| 617 |
attentions: tuple[torch.Tensor] | None = None
|
| 618 |
s_max: tuple[list[torch.Tensor], ...] | None = None
|
|
|
|
|
|
|
| 619 |
|
| 620 |
|
| 621 |
@dataclass
|
|
@@ -624,6 +775,7 @@ class ESMplusplusOutput(MaskedLMOutput):
|
|
| 624 |
|
| 625 |
s_max: tuple[list[torch.Tensor], ...] | None = None
|
| 626 |
last_hidden_state: torch.Tensor | None = None
|
|
|
|
| 627 |
|
| 628 |
|
| 629 |
@dataclass
|
|
@@ -631,6 +783,7 @@ class ESMplusplusSequenceClassifierOutput(SequenceClassifierOutput):
|
|
| 631 |
"""Sequence-classification output with optional attention diagnostics."""
|
| 632 |
|
| 633 |
s_max: tuple[list[torch.Tensor], ...] | None = None
|
|
|
|
| 634 |
|
| 635 |
|
| 636 |
@dataclass
|
|
@@ -638,6 +791,7 @@ class ESMplusplusTokenClassifierOutput(TokenClassifierOutput):
|
|
| 638 |
"""Token-classification output with optional attention diagnostics."""
|
| 639 |
|
| 640 |
s_max: tuple[list[torch.Tensor], ...] | None = None
|
|
|
|
| 641 |
|
| 642 |
|
| 643 |
class TransformerStack(nn.Module):
|
|
@@ -688,63 +842,30 @@ class TransformerStack(nn.Module):
|
|
| 688 |
output_attentions: bool | None = False,
|
| 689 |
output_s_max: bool | None = False,
|
| 690 |
esmfold2_hidden_states: bool = False,
|
|
|
|
| 691 |
) -> TransformerOutput:
|
| 692 |
# x: (b, l, d); attention_mask, sequence_id: (b, l)
|
| 693 |
hidden_states = () if output_hidden_states else None
|
| 694 |
attentions = () if output_attentions else None
|
| 695 |
full_s_max = () if output_s_max else None
|
|
|
|
|
|
|
| 696 |
# Match the pinned Biohub Transformers contract: a supplied sequence_id
|
| 697 |
# is authoritative and must encode padding as -1. attention_mask is
|
| 698 |
# ignored in that mode rather than intersected with the chain mask.
|
| 699 |
-
|
| 700 |
-
|
| 701 |
-
|
| 702 |
-
|
| 703 |
-
f"attention_mask must have shape {expected_shape}; "
|
| 704 |
-
f"received {tuple(attention_mask.shape)}."
|
| 705 |
-
)
|
| 706 |
-
attention_mask = attention_mask.to(device=x.device, dtype=torch.bool)
|
| 707 |
-
if not bool(attention_mask.any(dim=1).all()):
|
| 708 |
-
raise ValueError("attention_mask must keep at least one valid key per batch row.")
|
| 709 |
-
effective_backend = resolve_attention_backend_for_call(
|
| 710 |
-
self.attention_backend,
|
| 711 |
-
output_attentions=bool(output_attentions),
|
| 712 |
-
)
|
| 713 |
-
|
| 714 |
-
if sequence_id is None and attention_mask is not None:
|
| 715 |
-
attention_mask_2d, attention_mask_4d, flex_block_mask = (
|
| 716 |
-
self._sequence_id_attention_masks(
|
| 717 |
-
sequence_id=attention_mask.to(device=x.device, dtype=torch.bool),
|
| 718 |
-
batch_size=x.shape[0],
|
| 719 |
-
seq_len=x.shape[1],
|
| 720 |
-
device=x.device,
|
| 721 |
-
dtype=x.dtype,
|
| 722 |
-
effective_backend=effective_backend,
|
| 723 |
-
)
|
| 724 |
-
)
|
| 725 |
-
elif sequence_id is None:
|
| 726 |
-
attention_mask_2d, attention_mask_4d, flex_block_mask = get_attention_mask(
|
| 727 |
-
effective_backend=effective_backend,
|
| 728 |
batch_size=x.shape[0],
|
| 729 |
seq_len=x.shape[1],
|
| 730 |
device=x.device,
|
| 731 |
-
attention_mask=attention_mask,
|
| 732 |
dtype=x.dtype,
|
| 733 |
-
|
| 734 |
-
)
|
| 735 |
-
else:
|
| 736 |
-
attention_mask_2d, attention_mask_4d, flex_block_mask = (
|
| 737 |
-
self._sequence_id_attention_masks(
|
| 738 |
-
sequence_id=sequence_id,
|
| 739 |
-
batch_size=x.shape[0],
|
| 740 |
-
seq_len=x.shape[1],
|
| 741 |
-
device=x.device,
|
| 742 |
-
dtype=x.dtype,
|
| 743 |
-
effective_backend=effective_backend,
|
| 744 |
-
)
|
| 745 |
)
|
|
|
|
| 746 |
|
| 747 |
-
for block in self.blocks:
|
| 748 |
if output_hidden_states:
|
| 749 |
if hidden_states is None:
|
| 750 |
raise RuntimeError(
|
|
@@ -754,6 +875,8 @@ class TransformerStack(nn.Module):
|
|
| 754 |
# by the final normalized state. This gives n_layers + 1 states
|
| 755 |
# and, for ESMC-6B, the 81-state order consumed by ESMFold2.
|
| 756 |
hidden_states += (x,)
|
|
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|
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|
|
| 757 |
if self.gradient_checkpointing and self.training:
|
| 758 |
x, attn_weights, s_max = self._gradient_checkpointing_func(
|
| 759 |
block.__call__,
|
|
@@ -782,52 +905,85 @@ class TransformerStack(nn.Module):
|
|
| 782 |
last_hidden_state = self.norm(x)
|
| 783 |
if output_hidden_states:
|
| 784 |
hidden_states += (last_hidden_state,)
|
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|
| 785 |
|
| 786 |
return TransformerOutput(
|
| 787 |
last_hidden_state=last_hidden_state,
|
| 788 |
hidden_states=hidden_states,
|
| 789 |
attentions=attentions,
|
| 790 |
s_max=full_s_max,
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| 791 |
)
|
| 792 |
|
| 793 |
-
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| 794 |
self,
|
| 795 |
-
|
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|
| 796 |
batch_size: int,
|
| 797 |
seq_len: int,
|
| 798 |
device: torch.device,
|
| 799 |
dtype: torch.dtype | None = None,
|
| 800 |
effective_backend: AttentionBackend | None = None,
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|
| 801 |
) -> tuple[torch.Tensor | None, torch.Tensor | None, BlockMask | None]:
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| 802 |
expected_shape = (batch_size, seq_len)
|
| 803 |
-
if
|
| 804 |
raise ValueError(
|
| 805 |
-
f"
|
| 806 |
-
f"received {tuple(
|
| 807 |
)
|
| 808 |
-
if
|
| 809 |
-
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| 810 |
-
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| 811 |
-
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| 812 |
-
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| 813 |
-
else
|
| 814 |
)
|
| 815 |
-
if
|
| 816 |
-
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|
| 817 |
# Biohub's boolean single-chain form groups biological positions
|
| 818 |
# together and padding positions together. Padding queries remain
|
| 819 |
# finite without allowing their states to enter residue attention.
|
| 820 |
-
attention_mask_4d =
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| 821 |
else:
|
| 822 |
-
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| 823 |
-
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| 824 |
-
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| 825 |
)
|
| 826 |
-
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| 827 |
-
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| 828 |
|
| 829 |
if backend.is_flash:
|
| 830 |
-
if
|
| 831 |
raise ValueError(
|
| 832 |
"ESM++ FlashAttention only supports boolean sequence_id padding masks. "
|
| 833 |
"Use eager, sdpa, or flex_attention for chain-aware integer sequence_id "
|
|
@@ -836,22 +992,22 @@ class TransformerStack(nn.Module):
|
|
| 836 |
return attention_mask_2d, attention_mask_4d, None
|
| 837 |
|
| 838 |
if backend == AttentionBackend.FLEX:
|
| 839 |
-
if
|
| 840 |
|
| 841 |
def mask_mod(batch_idx, head_idx, q_idx, kv_idx):
|
| 842 |
del head_idx
|
| 843 |
-
return
|
| 844 |
|
| 845 |
else:
|
| 846 |
|
| 847 |
def mask_mod(batch_idx, head_idx, q_idx, kv_idx):
|
| 848 |
del head_idx
|
| 849 |
-
q_id =
|
| 850 |
-
kv_id =
|
| 851 |
return q_id == kv_id
|
| 852 |
|
| 853 |
flex_block_mask = _get_flex_block_mask(
|
| 854 |
-
mask_pattern=
|
| 855 |
batch_size=batch_size,
|
| 856 |
query_length=seq_len,
|
| 857 |
key_value_length=seq_len,
|
|
@@ -859,7 +1015,7 @@ class TransformerStack(nn.Module):
|
|
| 859 |
dtype=dtype,
|
| 860 |
mask_semantics=(
|
| 861 |
"boolean_sequence_id"
|
| 862 |
-
if
|
| 863 |
else "integer_sequence_id"
|
| 864 |
),
|
| 865 |
mask_mod=mask_mod,
|
|
@@ -889,6 +1045,237 @@ class PreTrainedESMplusplusModel(FastPLMsAttentionMixin, PreTrainedModel):
|
|
| 889 |
"flash_attention_3",
|
| 890 |
)
|
| 891 |
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|
| 892 |
@property
|
| 893 |
def tokenizer(self) -> EsmSequenceTokenizer:
|
| 894 |
"""Construct the sequence tokenizer only when a raw-sequence API needs it."""
|
|
@@ -1033,6 +1420,8 @@ class ESMplusplusModel(PreTrainedESMplusplusModel, EmbeddingMixin):
|
|
| 1033 |
output_s_max: bool | None = False,
|
| 1034 |
esmfold2_hidden_states: bool = False,
|
| 1035 |
return_dict: bool | None = None,
|
|
|
|
|
|
|
| 1036 |
) -> TransformerOutput | tuple[torch.Tensor, ...]:
|
| 1037 |
"""Run ESMC inference with the pinned Biohub mask precedence.
|
| 1038 |
|
|
@@ -1056,25 +1445,47 @@ class ESMplusplusModel(PreTrainedESMplusplusModel, EmbeddingMixin):
|
|
| 1056 |
)
|
| 1057 |
return_dict = return_dict if return_dict is not None else self.config.use_return_dict
|
| 1058 |
|
|
|
|
|
|
|
|
|
|
| 1059 |
if attention_mask is None and sequence_id is None and input_ids is not None:
|
| 1060 |
attention_mask = input_ids.ne(self.config.pad_token_id)
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1061 |
|
| 1062 |
x = self.embed(input_ids) if inputs_embeds is None else inputs_embeds
|
| 1063 |
|
| 1064 |
-
|
| 1065 |
-
|
| 1066 |
-
|
| 1067 |
-
|
| 1068 |
-
|
| 1069 |
-
|
| 1070 |
-
|
| 1071 |
-
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
| 1072 |
)
|
|
|
|
| 1073 |
result = TransformerOutput(
|
| 1074 |
last_hidden_state=transformer_output.last_hidden_state,
|
| 1075 |
hidden_states=transformer_output.hidden_states,
|
| 1076 |
attentions=transformer_output.attentions,
|
| 1077 |
s_max=transformer_output.s_max,
|
|
|
|
| 1078 |
)
|
| 1079 |
return result if return_dict else result.to_tuple()
|
| 1080 |
|
|
@@ -1158,6 +1569,8 @@ class ESMplusplusForMaskedLM(
|
|
| 1158 |
esmfold2_hidden_states: bool = False,
|
| 1159 |
return_dict: bool | None = None,
|
| 1160 |
compute_logits: bool = True,
|
|
|
|
|
|
|
| 1161 |
) -> ESMplusplusOutput | tuple[torch.Tensor, ...]:
|
| 1162 |
if input_ids is None and inputs_embeds is None:
|
| 1163 |
raise ValueError("You have to specify either input_ids or inputs_embeds")
|
|
@@ -1174,20 +1587,41 @@ class ESMplusplusForMaskedLM(
|
|
| 1174 |
else self.config.output_hidden_states
|
| 1175 |
)
|
| 1176 |
return_dict = return_dict if return_dict is not None else self.config.use_return_dict
|
|
|
|
|
|
|
|
|
|
| 1177 |
if attention_mask is None and sequence_id is None and input_ids is not None:
|
| 1178 |
attention_mask = input_ids.ne(self.config.pad_token_id)
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1179 |
|
| 1180 |
x = self.embed(input_ids) if inputs_embeds is None else inputs_embeds
|
| 1181 |
|
| 1182 |
-
|
| 1183 |
-
|
| 1184 |
-
|
| 1185 |
-
|
| 1186 |
-
|
| 1187 |
-
|
| 1188 |
-
|
| 1189 |
-
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
| 1190 |
)
|
|
|
|
| 1191 |
|
| 1192 |
last_hidden_state = output.last_hidden_state
|
| 1193 |
logits = self.sequence_head(last_hidden_state) if compute_logits else None
|
|
@@ -1205,6 +1639,7 @@ class ESMplusplusForMaskedLM(
|
|
| 1205 |
attentions=output.attentions,
|
| 1206 |
s_max=output.s_max,
|
| 1207 |
last_hidden_state=last_hidden_state,
|
|
|
|
| 1208 |
)
|
| 1209 |
return result if return_dict else result.to_tuple()
|
| 1210 |
|
|
@@ -1280,6 +1715,8 @@ class ESMplusplusForSequenceClassification(ESMplusplusForMaskedLM, EmbeddingMixi
|
|
| 1280 |
output_hidden_states: bool | None = None,
|
| 1281 |
output_s_max: bool | None = False,
|
| 1282 |
return_dict: bool | None = None,
|
|
|
|
|
|
|
| 1283 |
) -> ESMplusplusSequenceClassifierOutput | tuple[torch.Tensor, ...]:
|
| 1284 |
return_dict = return_dict if return_dict is not None else self.config.use_return_dict
|
| 1285 |
pooling_mask = attention_mask
|
|
@@ -1310,6 +1747,8 @@ class ESMplusplusForSequenceClassification(ESMplusplusForMaskedLM, EmbeddingMixi
|
|
| 1310 |
output_s_max=output_s_max,
|
| 1311 |
return_dict=True,
|
| 1312 |
compute_logits=False,
|
|
|
|
|
|
|
| 1313 |
)
|
| 1314 |
|
| 1315 |
last_hidden_state = output.last_hidden_state
|
|
@@ -1345,6 +1784,7 @@ class ESMplusplusForSequenceClassification(ESMplusplusForMaskedLM, EmbeddingMixi
|
|
| 1345 |
hidden_states=output.hidden_states,
|
| 1346 |
attentions=output.attentions,
|
| 1347 |
s_max=output.s_max,
|
|
|
|
| 1348 |
)
|
| 1349 |
return result if return_dict else result.to_tuple()
|
| 1350 |
|
|
@@ -1399,6 +1839,8 @@ class ESMplusplusForTokenClassification(ESMplusplusForMaskedLM, EmbeddingMixin):
|
|
| 1399 |
output_hidden_states: bool | None = None,
|
| 1400 |
output_s_max: bool | None = False,
|
| 1401 |
return_dict: bool | None = None,
|
|
|
|
|
|
|
| 1402 |
) -> ESMplusplusTokenClassifierOutput | tuple[torch.Tensor, ...]:
|
| 1403 |
return_dict = return_dict if return_dict is not None else self.config.use_return_dict
|
| 1404 |
output = super().forward(
|
|
@@ -1412,6 +1854,8 @@ class ESMplusplusForTokenClassification(ESMplusplusForMaskedLM, EmbeddingMixin):
|
|
| 1412 |
output_s_max=output_s_max,
|
| 1413 |
return_dict=True,
|
| 1414 |
compute_logits=False,
|
|
|
|
|
|
|
| 1415 |
)
|
| 1416 |
|
| 1417 |
last_hidden_state = output.last_hidden_state
|
|
@@ -1427,6 +1871,7 @@ class ESMplusplusForTokenClassification(ESMplusplusForMaskedLM, EmbeddingMixin):
|
|
| 1427 |
hidden_states=output.hidden_states,
|
| 1428 |
attentions=output.attentions,
|
| 1429 |
s_max=output.s_max,
|
|
|
|
| 1430 |
)
|
| 1431 |
return result if return_dict else result.to_tuple()
|
| 1432 |
|
|
|
|
| 2 |
|
| 3 |
from __future__ import annotations
|
| 4 |
|
| 5 |
+
import importlib
|
| 6 |
+
import importlib.metadata
|
| 7 |
import math
|
| 8 |
+
from contextlib import contextmanager
|
| 9 |
+
from dataclasses import asdict, dataclass
|
| 10 |
+
from functools import partial
|
| 11 |
+
from typing import Any, ClassVar
|
| 12 |
+
|
| 13 |
import torch
|
| 14 |
import torch.nn as nn
|
| 15 |
import torch.nn.functional as F
|
|
|
|
|
|
|
|
|
|
| 16 |
from einops import rearrange
|
| 17 |
from tokenizers import Tokenizer
|
| 18 |
from tokenizers.models import BPE
|
|
|
|
| 65 |
# Legacy flat Hub composites define every shared symbol above this block.
|
| 66 |
|
| 67 |
|
| 68 |
+
_ESMC_FP8_LINEAR_SUFFIX = ".attn.out_proj"
|
| 69 |
+
_ESMC_FP8_ALIGNMENT = 16
|
| 70 |
+
|
| 71 |
+
|
| 72 |
+
@dataclass(frozen=True, slots=True)
|
| 73 |
+
class ESMplusplusFP8Status:
|
| 74 |
+
"""Resolved state of the explicit Transformer Engine ESMC FP8 path."""
|
| 75 |
+
|
| 76 |
+
enabled: bool
|
| 77 |
+
reason: str
|
| 78 |
+
device: str
|
| 79 |
+
transformer_engine_version: str | None
|
| 80 |
+
converted_projections: int
|
| 81 |
+
|
| 82 |
+
def as_dict(self) -> dict[str, str | int | bool | None]:
|
| 83 |
+
return asdict(self)
|
| 84 |
+
|
| 85 |
+
|
| 86 |
+
def _transformer_engine_version() -> str | None:
|
| 87 |
+
try:
|
| 88 |
+
return importlib.metadata.version("transformer-engine")
|
| 89 |
+
except importlib.metadata.PackageNotFoundError:
|
| 90 |
+
return None
|
| 91 |
+
|
| 92 |
+
|
| 93 |
+
def _load_transformer_engine() -> tuple[Any, Any]:
|
| 94 |
+
"""Load Transformer Engine lazily so ordinary ESM++ imports stay portable."""
|
| 95 |
+
|
| 96 |
+
try:
|
| 97 |
+
te = importlib.import_module("transformer_engine.pytorch")
|
| 98 |
+
recipe = importlib.import_module("transformer_engine.common.recipe")
|
| 99 |
+
except (ImportError, OSError, RuntimeError) as error:
|
| 100 |
+
raise RuntimeError(
|
| 101 |
+
f"Transformer Engine could not be imported: {type(error).__name__}: {error}"
|
| 102 |
+
) from error
|
| 103 |
+
if not hasattr(recipe, "Float8CurrentScaling"):
|
| 104 |
+
raise RuntimeError(
|
| 105 |
+
"Transformer Engine does not expose Float8CurrentScaling, which is "
|
| 106 |
+
"required by the validated ESMC FP8 path."
|
| 107 |
+
)
|
| 108 |
+
return te, recipe
|
| 109 |
+
|
| 110 |
+
|
| 111 |
+
def _te_fp8_capability(device: torch.device) -> tuple[bool, str]:
|
| 112 |
+
"""Return whether the strict Transformer Engine FP8 path can run."""
|
| 113 |
+
|
| 114 |
+
if device.type != "cuda":
|
| 115 |
+
return False, "FP8 requires ESM++ on a CUDA device."
|
| 116 |
+
if not torch.cuda.is_available():
|
| 117 |
+
return False, "CUDA is unavailable."
|
| 118 |
+
try:
|
| 119 |
+
major, minor = torch.cuda.get_device_capability(device)
|
| 120 |
+
except (AssertionError, RuntimeError, ValueError) as error:
|
| 121 |
+
return False, f"CUDA capability query failed: {error}"
|
| 122 |
+
if not (major >= 9 or (major == 8 and minor >= 9)):
|
| 123 |
+
return False, f"CUDA capability {major}.{minor} does not support FP8."
|
| 124 |
+
try:
|
| 125 |
+
te, _ = _load_transformer_engine()
|
| 126 |
+
except RuntimeError as error:
|
| 127 |
+
return False, str(error)
|
| 128 |
+
|
| 129 |
+
probe = getattr(te, "is_fp8_available", None)
|
| 130 |
+
if probe is None:
|
| 131 |
+
try:
|
| 132 |
+
probe = importlib.import_module("transformer_engine.pytorch.fp8").is_fp8_available
|
| 133 |
+
except (ImportError, AttributeError, OSError, RuntimeError) as error:
|
| 134 |
+
return False, f"Transformer Engine has no usable FP8 probe: {error}"
|
| 135 |
+
try:
|
| 136 |
+
try:
|
| 137 |
+
result = probe(return_reason=True)
|
| 138 |
+
except TypeError:
|
| 139 |
+
result = probe()
|
| 140 |
+
except (OSError, RuntimeError) as error:
|
| 141 |
+
return False, f"Transformer Engine FP8 probe failed: {error}"
|
| 142 |
+
if isinstance(result, tuple):
|
| 143 |
+
available = bool(result[0])
|
| 144 |
+
detail = str(result[1]) if len(result) > 1 and result[1] else ""
|
| 145 |
+
else:
|
| 146 |
+
available = bool(result)
|
| 147 |
+
detail = ""
|
| 148 |
+
if not available:
|
| 149 |
+
return False, detail or "Transformer Engine reports FP8 unavailable."
|
| 150 |
+
return True, "Transformer Engine reports FP8 availability."
|
| 151 |
+
|
| 152 |
+
|
| 153 |
+
def _convert_esmc_attention_outputs_to_te(
|
| 154 |
+
module: nn.Module,
|
| 155 |
+
*,
|
| 156 |
+
expected_projections: int,
|
| 157 |
+
) -> tuple[str, ...]:
|
| 158 |
+
"""Replace exactly one attention output projection per ESMC block."""
|
| 159 |
+
|
| 160 |
+
targets = [
|
| 161 |
+
(path, child)
|
| 162 |
+
for path, child in module.named_modules()
|
| 163 |
+
if isinstance(child, nn.Linear) and path.endswith(_ESMC_FP8_LINEAR_SUFFIX)
|
| 164 |
+
]
|
| 165 |
+
if len(targets) != expected_projections:
|
| 166 |
+
raise RuntimeError(
|
| 167 |
+
"ESMC FP8 conversion expected exactly "
|
| 168 |
+
f"{expected_projections} attention output projections, found {len(targets)}."
|
| 169 |
+
)
|
| 170 |
+
|
| 171 |
+
te, _ = _load_transformer_engine()
|
| 172 |
+
modules = dict(module.named_modules())
|
| 173 |
+
converted: list[str] = []
|
| 174 |
+
for path, child in targets:
|
| 175 |
+
owner_path, name = path.rsplit(".", 1)
|
| 176 |
+
owner = modules[owner_path]
|
| 177 |
+
replacement = te.Linear(
|
| 178 |
+
child.in_features,
|
| 179 |
+
child.out_features,
|
| 180 |
+
bias=child.bias is not None,
|
| 181 |
+
params_dtype=child.weight.dtype,
|
| 182 |
+
device=child.weight.device,
|
| 183 |
+
)
|
| 184 |
+
with torch.no_grad():
|
| 185 |
+
replacement.weight.copy_(child.weight)
|
| 186 |
+
if child.bias is not None:
|
| 187 |
+
replacement.bias.copy_(child.bias)
|
| 188 |
+
replacement.eval().requires_grad_(False)
|
| 189 |
+
setattr(owner, name, replacement)
|
| 190 |
+
converted.append(path)
|
| 191 |
+
return tuple(converted)
|
| 192 |
+
|
| 193 |
+
|
| 194 |
+
@contextmanager
|
| 195 |
+
def _esmplusplus_fp8_context(enabled: bool, device: torch.device):
|
| 196 |
+
"""Enter the validated BF16-storage, Transformer Engine FP8 context."""
|
| 197 |
+
|
| 198 |
+
if not enabled:
|
| 199 |
+
yield
|
| 200 |
+
return
|
| 201 |
+
if torch.is_grad_enabled():
|
| 202 |
+
raise RuntimeError("ESM++ FP8 is inference-only; use torch.inference_mode() or no_grad().")
|
| 203 |
+
te, recipe = _load_transformer_engine()
|
| 204 |
+
fp8_recipe = recipe.Float8CurrentScaling(
|
| 205 |
+
use_power_2_scales=False,
|
| 206 |
+
fp8_format=recipe.Format.HYBRID,
|
| 207 |
+
)
|
| 208 |
+
with torch.autocast(device_type=device.type, dtype=torch.bfloat16):
|
| 209 |
+
with te.autocast(enabled=True, recipe=fp8_recipe):
|
| 210 |
+
yield
|
| 211 |
+
|
| 212 |
+
|
| 213 |
class ESMplusplusConfig(PretrainedConfig):
|
| 214 |
"""Configuration class for ESM++ model.
|
| 215 |
|
|
|
|
| 765 |
hidden_states: tuple[torch.Tensor] | None = None
|
| 766 |
attentions: tuple[torch.Tensor] | None = None
|
| 767 |
s_max: tuple[list[torch.Tensor], ...] | None = None
|
| 768 |
+
sae_outputs: dict[str, torch.Tensor] | None = None
|
| 769 |
+
sae_hidden_states: dict[int, torch.Tensor] | None = None
|
| 770 |
|
| 771 |
|
| 772 |
@dataclass
|
|
|
|
| 775 |
|
| 776 |
s_max: tuple[list[torch.Tensor], ...] | None = None
|
| 777 |
last_hidden_state: torch.Tensor | None = None
|
| 778 |
+
sae_outputs: dict[str, torch.Tensor] | None = None
|
| 779 |
|
| 780 |
|
| 781 |
@dataclass
|
|
|
|
| 783 |
"""Sequence-classification output with optional attention diagnostics."""
|
| 784 |
|
| 785 |
s_max: tuple[list[torch.Tensor], ...] | None = None
|
| 786 |
+
sae_outputs: dict[str, torch.Tensor] | None = None
|
| 787 |
|
| 788 |
|
| 789 |
@dataclass
|
|
|
|
| 791 |
"""Token-classification output with optional attention diagnostics."""
|
| 792 |
|
| 793 |
s_max: tuple[list[torch.Tensor], ...] | None = None
|
| 794 |
+
sae_outputs: dict[str, torch.Tensor] | None = None
|
| 795 |
|
| 796 |
|
| 797 |
class TransformerStack(nn.Module):
|
|
|
|
| 842 |
output_attentions: bool | None = False,
|
| 843 |
output_s_max: bool | None = False,
|
| 844 |
esmfold2_hidden_states: bool = False,
|
| 845 |
+
sae_layers: tuple[int, ...] = (),
|
| 846 |
) -> TransformerOutput:
|
| 847 |
# x: (b, l, d); attention_mask, sequence_id: (b, l)
|
| 848 |
hidden_states = () if output_hidden_states else None
|
| 849 |
attentions = () if output_attentions else None
|
| 850 |
full_s_max = () if output_s_max else None
|
| 851 |
+
sae_layer_set = set(sae_layers)
|
| 852 |
+
sae_hidden_states = {} if sae_layer_set else None
|
| 853 |
# Match the pinned Biohub Transformers contract: a supplied sequence_id
|
| 854 |
# is authoritative and must encode padding as -1. attention_mask is
|
| 855 |
# ignored in that mode rather than intersected with the chain mask.
|
| 856 |
+
attention_mask_2d, attention_mask_4d, flex_block_mask = (
|
| 857 |
+
self._prepare_attention_masks(
|
| 858 |
+
attention_mask=attention_mask,
|
| 859 |
+
sequence_id=sequence_id,
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 860 |
batch_size=x.shape[0],
|
| 861 |
seq_len=x.shape[1],
|
| 862 |
device=x.device,
|
|
|
|
| 863 |
dtype=x.dtype,
|
| 864 |
+
output_attentions=bool(output_attentions),
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 865 |
)
|
| 866 |
+
)
|
| 867 |
|
| 868 |
+
for layer_index, block in enumerate(self.blocks):
|
| 869 |
if output_hidden_states:
|
| 870 |
if hidden_states is None:
|
| 871 |
raise RuntimeError(
|
|
|
|
| 875 |
# by the final normalized state. This gives n_layers + 1 states
|
| 876 |
# and, for ESMC-6B, the 81-state order consumed by ESMFold2.
|
| 877 |
hidden_states += (x,)
|
| 878 |
+
if sae_hidden_states is not None and layer_index in sae_layer_set:
|
| 879 |
+
sae_hidden_states[layer_index] = x
|
| 880 |
if self.gradient_checkpointing and self.training:
|
| 881 |
x, attn_weights, s_max = self._gradient_checkpointing_func(
|
| 882 |
block.__call__,
|
|
|
|
| 905 |
last_hidden_state = self.norm(x)
|
| 906 |
if output_hidden_states:
|
| 907 |
hidden_states += (last_hidden_state,)
|
| 908 |
+
final_layer_index = len(self.blocks)
|
| 909 |
+
if sae_hidden_states is not None and final_layer_index in sae_layer_set:
|
| 910 |
+
sae_hidden_states[final_layer_index] = last_hidden_state
|
| 911 |
|
| 912 |
return TransformerOutput(
|
| 913 |
last_hidden_state=last_hidden_state,
|
| 914 |
hidden_states=hidden_states,
|
| 915 |
attentions=attentions,
|
| 916 |
s_max=full_s_max,
|
| 917 |
+
sae_hidden_states=sae_hidden_states,
|
| 918 |
)
|
| 919 |
|
| 920 |
+
@torch.compiler.disable
|
| 921 |
+
def _prepare_attention_masks(
|
| 922 |
self,
|
| 923 |
+
attention_mask: torch.Tensor | None,
|
| 924 |
+
sequence_id: torch.Tensor | None,
|
| 925 |
batch_size: int,
|
| 926 |
seq_len: int,
|
| 927 |
device: torch.device,
|
| 928 |
dtype: torch.dtype | None = None,
|
| 929 |
effective_backend: AttentionBackend | None = None,
|
| 930 |
+
output_attentions: bool = False,
|
| 931 |
) -> tuple[torch.Tensor | None, torch.Tensor | None, BlockMask | None]:
|
| 932 |
+
mask_name = "sequence_id" if sequence_id is not None else "attention_mask"
|
| 933 |
+
mask_pattern = sequence_id if sequence_id is not None else attention_mask
|
| 934 |
+
if mask_pattern is None:
|
| 935 |
+
backend = resolve_attention_backend_for_call(
|
| 936 |
+
self.attention_backend,
|
| 937 |
+
output_attentions=output_attentions,
|
| 938 |
+
)
|
| 939 |
+
return get_attention_mask(
|
| 940 |
+
effective_backend=backend,
|
| 941 |
+
batch_size=batch_size,
|
| 942 |
+
seq_len=seq_len,
|
| 943 |
+
device=device,
|
| 944 |
+
attention_mask=None,
|
| 945 |
+
dtype=dtype,
|
| 946 |
+
mask_semantics="padding",
|
| 947 |
+
)
|
| 948 |
+
|
| 949 |
expected_shape = (batch_size, seq_len)
|
| 950 |
+
if mask_pattern.ndim != 2 or tuple(mask_pattern.shape) != expected_shape:
|
| 951 |
raise ValueError(
|
| 952 |
+
f"{mask_name} must have shape {expected_shape}; "
|
| 953 |
+
f"received {tuple(mask_pattern.shape)}."
|
| 954 |
)
|
| 955 |
+
if mask_pattern.device != device:
|
| 956 |
+
mask_pattern = mask_pattern.to(device=device)
|
| 957 |
+
if sequence_id is None:
|
| 958 |
+
mask_pattern = mask_pattern.to(dtype=torch.bool)
|
| 959 |
+
attention_mask_2d = (
|
| 960 |
+
mask_pattern if mask_pattern.dtype == torch.bool else mask_pattern != -1
|
| 961 |
)
|
| 962 |
+
if not bool(attention_mask_2d.any(dim=1).all()):
|
| 963 |
+
raise ValueError("attention_mask must keep at least one valid key per batch row.")
|
| 964 |
+
|
| 965 |
+
if mask_pattern.dtype == torch.bool:
|
| 966 |
# Biohub's boolean single-chain form groups biological positions
|
| 967 |
# together and padding positions together. Padding queries remain
|
| 968 |
# finite without allowing their states to enter residue attention.
|
| 969 |
+
attention_mask_4d = (
|
| 970 |
+
mask_pattern[:, None, :, None] == mask_pattern[:, None, None, :]
|
| 971 |
+
)
|
| 972 |
else:
|
| 973 |
+
attention_mask_4d = (
|
| 974 |
+
mask_pattern.unsqueeze(-1) == mask_pattern.unsqueeze(-2)
|
| 975 |
+
).unsqueeze(1)
|
| 976 |
+
backend = (
|
| 977 |
+
resolve_attention_backend_for_call(
|
| 978 |
+
self.attention_backend,
|
| 979 |
+
output_attentions=output_attentions,
|
| 980 |
)
|
| 981 |
+
if effective_backend is None
|
| 982 |
+
else resolve_attention_backend(effective_backend)
|
| 983 |
+
)
|
| 984 |
|
| 985 |
if backend.is_flash:
|
| 986 |
+
if mask_pattern.dtype != torch.bool:
|
| 987 |
raise ValueError(
|
| 988 |
"ESM++ FlashAttention only supports boolean sequence_id padding masks. "
|
| 989 |
"Use eager, sdpa, or flex_attention for chain-aware integer sequence_id "
|
|
|
|
| 992 |
return attention_mask_2d, attention_mask_4d, None
|
| 993 |
|
| 994 |
if backend == AttentionBackend.FLEX:
|
| 995 |
+
if mask_pattern.dtype == torch.bool:
|
| 996 |
|
| 997 |
def mask_mod(batch_idx, head_idx, q_idx, kv_idx):
|
| 998 |
del head_idx
|
| 999 |
+
return mask_pattern[batch_idx, q_idx] == mask_pattern[batch_idx, kv_idx]
|
| 1000 |
|
| 1001 |
else:
|
| 1002 |
|
| 1003 |
def mask_mod(batch_idx, head_idx, q_idx, kv_idx):
|
| 1004 |
del head_idx
|
| 1005 |
+
q_id = mask_pattern[batch_idx, q_idx]
|
| 1006 |
+
kv_id = mask_pattern[batch_idx, kv_idx]
|
| 1007 |
return q_id == kv_id
|
| 1008 |
|
| 1009 |
flex_block_mask = _get_flex_block_mask(
|
| 1010 |
+
mask_pattern=mask_pattern,
|
| 1011 |
batch_size=batch_size,
|
| 1012 |
query_length=seq_len,
|
| 1013 |
key_value_length=seq_len,
|
|
|
|
| 1015 |
dtype=dtype,
|
| 1016 |
mask_semantics=(
|
| 1017 |
"boolean_sequence_id"
|
| 1018 |
+
if mask_pattern.dtype == torch.bool
|
| 1019 |
else "integer_sequence_id"
|
| 1020 |
),
|
| 1021 |
mask_mod=mask_mod,
|
|
|
|
| 1045 |
"flash_attention_3",
|
| 1046 |
)
|
| 1047 |
|
| 1048 |
+
def __init__(self, config: ESMplusplusConfig, *args: object, **kwargs: object) -> None:
|
| 1049 |
+
super().__init__(config, *args, **kwargs)
|
| 1050 |
+
self._sae_models = nn.ModuleDict()
|
| 1051 |
+
self._esmc_fp8 = False
|
| 1052 |
+
self._esmc_fp8_module_paths: tuple[str, ...] = ()
|
| 1053 |
+
self._esmc_precision_status = ESMplusplusFP8Status(
|
| 1054 |
+
enabled=False,
|
| 1055 |
+
reason="FP8 has not been enabled; canonical checkpoint precision is unchanged.",
|
| 1056 |
+
device="cpu",
|
| 1057 |
+
transformer_engine_version=_transformer_engine_version(),
|
| 1058 |
+
converted_projections=0,
|
| 1059 |
+
)
|
| 1060 |
+
|
| 1061 |
+
@property
|
| 1062 |
+
def esmc_precision_status(self) -> ESMplusplusFP8Status:
|
| 1063 |
+
"""Return the explicit FP8 conversion status for this ESM++ instance."""
|
| 1064 |
+
|
| 1065 |
+
return self._esmc_precision_status
|
| 1066 |
+
|
| 1067 |
+
def enable_fp8(self) -> ESMplusplusFP8Status:
|
| 1068 |
+
"""Enable the strict inference-only Transformer Engine FP8 path.
|
| 1069 |
+
|
| 1070 |
+
Canonical parameters must already be BF16 on one supported CUDA device.
|
| 1071 |
+
Exactly one attention output projection per transformer block is replaced;
|
| 1072 |
+
all other operations and all SAE weights remain BF16.
|
| 1073 |
+
"""
|
| 1074 |
+
|
| 1075 |
+
if self._esmc_fp8:
|
| 1076 |
+
return self._esmc_precision_status
|
| 1077 |
+
if self.training:
|
| 1078 |
+
raise RuntimeError("ESM++ FP8 is inference-only; call eval() before enable_fp8().")
|
| 1079 |
+
parameter_devices = {parameter.device for parameter in self.parameters()}
|
| 1080 |
+
if len(parameter_devices) != 1:
|
| 1081 |
+
raise RuntimeError(
|
| 1082 |
+
"ESM++ FP8 requires every parameter on one CUDA device; sharded device maps "
|
| 1083 |
+
f"are unsupported, found {sorted(map(str, parameter_devices))}."
|
| 1084 |
+
)
|
| 1085 |
+
device = next(iter(parameter_devices), self.device)
|
| 1086 |
+
available, reason = _te_fp8_capability(device)
|
| 1087 |
+
if not available:
|
| 1088 |
+
raise RuntimeError(f"ESM++ FP8 is unavailable: {reason}")
|
| 1089 |
+
non_bf16 = [
|
| 1090 |
+
name
|
| 1091 |
+
for name, parameter in self.named_parameters()
|
| 1092 |
+
if parameter.is_floating_point() and parameter.dtype != torch.bfloat16
|
| 1093 |
+
]
|
| 1094 |
+
if non_bf16:
|
| 1095 |
+
examples = ", ".join(non_bf16[:3])
|
| 1096 |
+
raise RuntimeError(
|
| 1097 |
+
"ESM++ FP8 requires canonical BF16 parameters before conversion; "
|
| 1098 |
+
f"found {len(non_bf16)} non-BF16 parameters (for example: {examples})."
|
| 1099 |
+
)
|
| 1100 |
+
paths = _convert_esmc_attention_outputs_to_te(
|
| 1101 |
+
self,
|
| 1102 |
+
expected_projections=self.config.num_hidden_layers,
|
| 1103 |
+
)
|
| 1104 |
+
self._esmc_fp8 = True
|
| 1105 |
+
self._esmc_fp8_module_paths = paths
|
| 1106 |
+
self._esmc_precision_status = ESMplusplusFP8Status(
|
| 1107 |
+
enabled=True,
|
| 1108 |
+
reason=(
|
| 1109 |
+
f"{reason} Converted {len(paths)} attention output projections; "
|
| 1110 |
+
"canonical checkpoint and SAE weights remain BF16."
|
| 1111 |
+
),
|
| 1112 |
+
device=str(device),
|
| 1113 |
+
transformer_engine_version=_transformer_engine_version(),
|
| 1114 |
+
converted_projections=len(paths),
|
| 1115 |
+
)
|
| 1116 |
+
return self._esmc_precision_status
|
| 1117 |
+
|
| 1118 |
+
def add_sae_models(self, sae_models: list[nn.Module]) -> None:
|
| 1119 |
+
"""Attach official Biohub hidden-state SAE layers to this ESM++ model."""
|
| 1120 |
+
|
| 1121 |
+
for sae_model in sae_models:
|
| 1122 |
+
if not isinstance(sae_model, nn.Module):
|
| 1123 |
+
raise TypeError(
|
| 1124 |
+
"Each SAE must be an nn.Module obtained from an official Biohub "
|
| 1125 |
+
"ESMCSAEModel.layers entry."
|
| 1126 |
+
)
|
| 1127 |
+
layer = getattr(sae_model, "layer", None)
|
| 1128 |
+
if isinstance(layer, bool) or not isinstance(layer, int):
|
| 1129 |
+
raise TypeError("Each SAE layer must expose an integer .layer attribute.")
|
| 1130 |
+
if not 0 <= layer <= self.config.num_hidden_layers:
|
| 1131 |
+
raise ValueError(
|
| 1132 |
+
f"SAE target layer {layer} is outside the ESM++ hidden-state range "
|
| 1133 |
+
f"0..{self.config.num_hidden_layers}."
|
| 1134 |
+
)
|
| 1135 |
+
params = getattr(sae_model, "params", None)
|
| 1136 |
+
d_model = getattr(params, "d_model", None)
|
| 1137 |
+
if d_model != self.config.hidden_size:
|
| 1138 |
+
raise ValueError(
|
| 1139 |
+
f"SAE layer {layer} expects d_model={d_model!r}, but this ESM++ "
|
| 1140 |
+
f"checkpoint has hidden_size={self.config.hidden_size}."
|
| 1141 |
+
)
|
| 1142 |
+
if not callable(getattr(sae_model, "get_sae_output", None)):
|
| 1143 |
+
raise TypeError("Each SAE layer must expose get_sae_output(layer_states, token_mask).")
|
| 1144 |
+
for name in ("idf", "max"):
|
| 1145 |
+
if not isinstance(getattr(sae_model, name, None), torch.Tensor):
|
| 1146 |
+
raise TypeError(f"Each SAE layer must expose a tensor {name!r} buffer.")
|
| 1147 |
+
key = f"layer{layer}"
|
| 1148 |
+
if key in self._sae_models:
|
| 1149 |
+
raise ValueError(
|
| 1150 |
+
f"An SAE is already registered at {key!r}; only one SAE per layer "
|
| 1151 |
+
"can be active."
|
| 1152 |
+
)
|
| 1153 |
+
self._sae_models[key] = sae_model
|
| 1154 |
+
|
| 1155 |
+
def _prepare_sae_forward(
|
| 1156 |
+
self,
|
| 1157 |
+
*,
|
| 1158 |
+
compute_sae: bool,
|
| 1159 |
+
input_ids: torch.Tensor | None,
|
| 1160 |
+
attention_mask: torch.Tensor | None,
|
| 1161 |
+
sequence_id: torch.Tensor | None,
|
| 1162 |
+
) -> tuple[tuple[int, ...], torch.Tensor | None]:
|
| 1163 |
+
if not compute_sae or not self._sae_models:
|
| 1164 |
+
return (), None
|
| 1165 |
+
if input_ids is None:
|
| 1166 |
+
raise ValueError(
|
| 1167 |
+
"SAE computation requires input_ids so masked-token inputs can be rejected."
|
| 1168 |
+
)
|
| 1169 |
+
if torch.any(input_ids == self.config.mask_token_id):
|
| 1170 |
+
raise ValueError("SAE inputs must not contain mask tokens; SAEs were trained unmasked.")
|
| 1171 |
+
if sequence_id is not None:
|
| 1172 |
+
token_mask = sequence_id >= 0
|
| 1173 |
+
elif attention_mask is not None:
|
| 1174 |
+
token_mask = attention_mask.to(dtype=torch.bool)
|
| 1175 |
+
else:
|
| 1176 |
+
token_mask = input_ids != self.config.pad_token_id
|
| 1177 |
+
layers = tuple(sorted(int(name.removeprefix("layer")) for name in self._sae_models))
|
| 1178 |
+
return layers, token_mask
|
| 1179 |
+
|
| 1180 |
+
def _get_sae_outputs(
|
| 1181 |
+
self,
|
| 1182 |
+
hidden_states: dict[int, torch.Tensor] | None,
|
| 1183 |
+
token_mask: torch.Tensor | None,
|
| 1184 |
+
*,
|
| 1185 |
+
normalize_sae: bool,
|
| 1186 |
+
) -> dict[str, torch.Tensor] | None:
|
| 1187 |
+
if not self._sae_models:
|
| 1188 |
+
return None
|
| 1189 |
+
if hidden_states is None or token_mask is None:
|
| 1190 |
+
raise RuntimeError("SAE hidden-state collection was not initialized.")
|
| 1191 |
+
outputs: dict[str, torch.Tensor] = {}
|
| 1192 |
+
for key, sae_model in self._sae_models.items():
|
| 1193 |
+
layer = int(key.removeprefix("layer"))
|
| 1194 |
+
if layer not in hidden_states:
|
| 1195 |
+
raise RuntimeError(f"ESM++ did not collect the requested SAE layer {layer}.")
|
| 1196 |
+
sae_output = sae_model.get_sae_output(hidden_states[layer].clone(), token_mask)
|
| 1197 |
+
features = getattr(sae_output, "feature_magnitudes", None)
|
| 1198 |
+
if not isinstance(features, torch.Tensor):
|
| 1199 |
+
raise TypeError("SAE get_sae_output must return tensor feature_magnitudes.")
|
| 1200 |
+
features = features.detach()
|
| 1201 |
+
if normalize_sae:
|
| 1202 |
+
features = (features / sae_model.max) * sae_model.idf
|
| 1203 |
+
outputs[key] = features.to_sparse()
|
| 1204 |
+
return outputs
|
| 1205 |
+
|
| 1206 |
+
def _pad_fp8_inputs(
|
| 1207 |
+
self,
|
| 1208 |
+
input_ids: torch.Tensor | None,
|
| 1209 |
+
attention_mask: torch.Tensor | None,
|
| 1210 |
+
sequence_id: torch.Tensor | None,
|
| 1211 |
+
inputs_embeds: torch.Tensor | None,
|
| 1212 |
+
) -> tuple[
|
| 1213 |
+
torch.Tensor | None,
|
| 1214 |
+
torch.Tensor | None,
|
| 1215 |
+
torch.Tensor | None,
|
| 1216 |
+
torch.Tensor | None,
|
| 1217 |
+
int | None,
|
| 1218 |
+
]:
|
| 1219 |
+
if not self._esmc_fp8:
|
| 1220 |
+
return input_ids, attention_mask, sequence_id, inputs_embeds, None
|
| 1221 |
+
source = input_ids if input_ids is not None else inputs_embeds
|
| 1222 |
+
if source is None:
|
| 1223 |
+
return input_ids, attention_mask, sequence_id, inputs_embeds, None
|
| 1224 |
+
sequence_length = source.shape[1]
|
| 1225 |
+
padded_length = (
|
| 1226 |
+
(sequence_length + _ESMC_FP8_ALIGNMENT - 1) // _ESMC_FP8_ALIGNMENT
|
| 1227 |
+
) * _ESMC_FP8_ALIGNMENT
|
| 1228 |
+
padding = padded_length - sequence_length
|
| 1229 |
+
if padding == 0:
|
| 1230 |
+
return input_ids, attention_mask, sequence_id, inputs_embeds, None
|
| 1231 |
+
if input_ids is not None:
|
| 1232 |
+
input_ids = F.pad(input_ids, (0, padding), value=self.config.pad_token_id)
|
| 1233 |
+
if inputs_embeds is not None:
|
| 1234 |
+
inputs_embeds = F.pad(inputs_embeds, (0, 0, 0, padding), value=0.0)
|
| 1235 |
+
if sequence_id is not None:
|
| 1236 |
+
sequence_id = F.pad(sequence_id.to(dtype=torch.long), (0, padding), value=-1)
|
| 1237 |
+
else:
|
| 1238 |
+
if attention_mask is None:
|
| 1239 |
+
attention_mask = (
|
| 1240 |
+
source != self.config.pad_token_id
|
| 1241 |
+
if input_ids is not None
|
| 1242 |
+
else torch.ones(
|
| 1243 |
+
source.shape[:2],
|
| 1244 |
+
dtype=torch.bool,
|
| 1245 |
+
device=source.device,
|
| 1246 |
+
)
|
| 1247 |
+
)
|
| 1248 |
+
attention_mask = F.pad(attention_mask, (0, padding), value=0)
|
| 1249 |
+
return input_ids, attention_mask, sequence_id, inputs_embeds, sequence_length
|
| 1250 |
+
|
| 1251 |
+
@staticmethod
|
| 1252 |
+
def _trim_transformer_output(
|
| 1253 |
+
output: TransformerOutput,
|
| 1254 |
+
sequence_length: int | None,
|
| 1255 |
+
) -> TransformerOutput:
|
| 1256 |
+
if sequence_length is None:
|
| 1257 |
+
return output
|
| 1258 |
+
hidden_states = (
|
| 1259 |
+
tuple(state[:, :sequence_length] for state in output.hidden_states)
|
| 1260 |
+
if output.hidden_states is not None
|
| 1261 |
+
else None
|
| 1262 |
+
)
|
| 1263 |
+
attentions = (
|
| 1264 |
+
tuple(
|
| 1265 |
+
attention[..., :sequence_length, :sequence_length]
|
| 1266 |
+
for attention in output.attentions
|
| 1267 |
+
)
|
| 1268 |
+
if output.attentions is not None
|
| 1269 |
+
else None
|
| 1270 |
+
)
|
| 1271 |
+
return TransformerOutput(
|
| 1272 |
+
last_hidden_state=output.last_hidden_state[:, :sequence_length],
|
| 1273 |
+
hidden_states=hidden_states,
|
| 1274 |
+
attentions=attentions,
|
| 1275 |
+
s_max=output.s_max,
|
| 1276 |
+
sae_hidden_states=output.sae_hidden_states,
|
| 1277 |
+
)
|
| 1278 |
+
|
| 1279 |
@property
|
| 1280 |
def tokenizer(self) -> EsmSequenceTokenizer:
|
| 1281 |
"""Construct the sequence tokenizer only when a raw-sequence API needs it."""
|
|
|
|
| 1420 |
output_s_max: bool | None = False,
|
| 1421 |
esmfold2_hidden_states: bool = False,
|
| 1422 |
return_dict: bool | None = None,
|
| 1423 |
+
compute_sae: bool = True,
|
| 1424 |
+
normalize_sae: bool = False,
|
| 1425 |
) -> TransformerOutput | tuple[torch.Tensor, ...]:
|
| 1426 |
"""Run ESMC inference with the pinned Biohub mask precedence.
|
| 1427 |
|
|
|
|
| 1445 |
)
|
| 1446 |
return_dict = return_dict if return_dict is not None else self.config.use_return_dict
|
| 1447 |
|
| 1448 |
+
input_ids, attention_mask, sequence_id, inputs_embeds, original_length = (
|
| 1449 |
+
self._pad_fp8_inputs(input_ids, attention_mask, sequence_id, inputs_embeds)
|
| 1450 |
+
)
|
| 1451 |
if attention_mask is None and sequence_id is None and input_ids is not None:
|
| 1452 |
attention_mask = input_ids.ne(self.config.pad_token_id)
|
| 1453 |
+
sae_layers, sae_token_mask = self._prepare_sae_forward(
|
| 1454 |
+
compute_sae=compute_sae,
|
| 1455 |
+
input_ids=input_ids,
|
| 1456 |
+
attention_mask=attention_mask,
|
| 1457 |
+
sequence_id=sequence_id,
|
| 1458 |
+
)
|
| 1459 |
|
| 1460 |
x = self.embed(input_ids) if inputs_embeds is None else inputs_embeds
|
| 1461 |
|
| 1462 |
+
with _esmplusplus_fp8_context(self._esmc_fp8, self.device):
|
| 1463 |
+
transformer_output = self.transformer(
|
| 1464 |
+
x=x,
|
| 1465 |
+
attention_mask=attention_mask,
|
| 1466 |
+
sequence_id=sequence_id,
|
| 1467 |
+
output_hidden_states=output_hidden_states,
|
| 1468 |
+
output_attentions=output_attentions,
|
| 1469 |
+
output_s_max=output_s_max,
|
| 1470 |
+
esmfold2_hidden_states=esmfold2_hidden_states,
|
| 1471 |
+
sae_layers=sae_layers,
|
| 1472 |
+
)
|
| 1473 |
+
sae_outputs = (
|
| 1474 |
+
self._get_sae_outputs(
|
| 1475 |
+
transformer_output.sae_hidden_states,
|
| 1476 |
+
sae_token_mask,
|
| 1477 |
+
normalize_sae=normalize_sae,
|
| 1478 |
+
)
|
| 1479 |
+
if sae_layers
|
| 1480 |
+
else None
|
| 1481 |
)
|
| 1482 |
+
transformer_output = self._trim_transformer_output(transformer_output, original_length)
|
| 1483 |
result = TransformerOutput(
|
| 1484 |
last_hidden_state=transformer_output.last_hidden_state,
|
| 1485 |
hidden_states=transformer_output.hidden_states,
|
| 1486 |
attentions=transformer_output.attentions,
|
| 1487 |
s_max=transformer_output.s_max,
|
| 1488 |
+
sae_outputs=sae_outputs,
|
| 1489 |
)
|
| 1490 |
return result if return_dict else result.to_tuple()
|
| 1491 |
|
|
|
|
| 1569 |
esmfold2_hidden_states: bool = False,
|
| 1570 |
return_dict: bool | None = None,
|
| 1571 |
compute_logits: bool = True,
|
| 1572 |
+
compute_sae: bool = True,
|
| 1573 |
+
normalize_sae: bool = False,
|
| 1574 |
) -> ESMplusplusOutput | tuple[torch.Tensor, ...]:
|
| 1575 |
if input_ids is None and inputs_embeds is None:
|
| 1576 |
raise ValueError("You have to specify either input_ids or inputs_embeds")
|
|
|
|
| 1587 |
else self.config.output_hidden_states
|
| 1588 |
)
|
| 1589 |
return_dict = return_dict if return_dict is not None else self.config.use_return_dict
|
| 1590 |
+
input_ids, attention_mask, sequence_id, inputs_embeds, original_length = (
|
| 1591 |
+
self._pad_fp8_inputs(input_ids, attention_mask, sequence_id, inputs_embeds)
|
| 1592 |
+
)
|
| 1593 |
if attention_mask is None and sequence_id is None and input_ids is not None:
|
| 1594 |
attention_mask = input_ids.ne(self.config.pad_token_id)
|
| 1595 |
+
sae_layers, sae_token_mask = self._prepare_sae_forward(
|
| 1596 |
+
compute_sae=compute_sae,
|
| 1597 |
+
input_ids=input_ids,
|
| 1598 |
+
attention_mask=attention_mask,
|
| 1599 |
+
sequence_id=sequence_id,
|
| 1600 |
+
)
|
| 1601 |
|
| 1602 |
x = self.embed(input_ids) if inputs_embeds is None else inputs_embeds
|
| 1603 |
|
| 1604 |
+
with _esmplusplus_fp8_context(self._esmc_fp8, self.device):
|
| 1605 |
+
output = self.transformer(
|
| 1606 |
+
x=x,
|
| 1607 |
+
attention_mask=attention_mask,
|
| 1608 |
+
sequence_id=sequence_id,
|
| 1609 |
+
output_hidden_states=output_hidden_states,
|
| 1610 |
+
output_attentions=output_attentions,
|
| 1611 |
+
output_s_max=output_s_max,
|
| 1612 |
+
esmfold2_hidden_states=esmfold2_hidden_states,
|
| 1613 |
+
sae_layers=sae_layers,
|
| 1614 |
+
)
|
| 1615 |
+
sae_outputs = (
|
| 1616 |
+
self._get_sae_outputs(
|
| 1617 |
+
output.sae_hidden_states,
|
| 1618 |
+
sae_token_mask,
|
| 1619 |
+
normalize_sae=normalize_sae,
|
| 1620 |
+
)
|
| 1621 |
+
if sae_layers
|
| 1622 |
+
else None
|
| 1623 |
)
|
| 1624 |
+
output = self._trim_transformer_output(output, original_length)
|
| 1625 |
|
| 1626 |
last_hidden_state = output.last_hidden_state
|
| 1627 |
logits = self.sequence_head(last_hidden_state) if compute_logits else None
|
|
|
|
| 1639 |
attentions=output.attentions,
|
| 1640 |
s_max=output.s_max,
|
| 1641 |
last_hidden_state=last_hidden_state,
|
| 1642 |
+
sae_outputs=sae_outputs,
|
| 1643 |
)
|
| 1644 |
return result if return_dict else result.to_tuple()
|
| 1645 |
|
|
|
|
| 1715 |
output_hidden_states: bool | None = None,
|
| 1716 |
output_s_max: bool | None = False,
|
| 1717 |
return_dict: bool | None = None,
|
| 1718 |
+
compute_sae: bool = True,
|
| 1719 |
+
normalize_sae: bool = False,
|
| 1720 |
) -> ESMplusplusSequenceClassifierOutput | tuple[torch.Tensor, ...]:
|
| 1721 |
return_dict = return_dict if return_dict is not None else self.config.use_return_dict
|
| 1722 |
pooling_mask = attention_mask
|
|
|
|
| 1747 |
output_s_max=output_s_max,
|
| 1748 |
return_dict=True,
|
| 1749 |
compute_logits=False,
|
| 1750 |
+
compute_sae=compute_sae,
|
| 1751 |
+
normalize_sae=normalize_sae,
|
| 1752 |
)
|
| 1753 |
|
| 1754 |
last_hidden_state = output.last_hidden_state
|
|
|
|
| 1784 |
hidden_states=output.hidden_states,
|
| 1785 |
attentions=output.attentions,
|
| 1786 |
s_max=output.s_max,
|
| 1787 |
+
sae_outputs=output.sae_outputs,
|
| 1788 |
)
|
| 1789 |
return result if return_dict else result.to_tuple()
|
| 1790 |
|
|
|
|
| 1839 |
output_hidden_states: bool | None = None,
|
| 1840 |
output_s_max: bool | None = False,
|
| 1841 |
return_dict: bool | None = None,
|
| 1842 |
+
compute_sae: bool = True,
|
| 1843 |
+
normalize_sae: bool = False,
|
| 1844 |
) -> ESMplusplusTokenClassifierOutput | tuple[torch.Tensor, ...]:
|
| 1845 |
return_dict = return_dict if return_dict is not None else self.config.use_return_dict
|
| 1846 |
output = super().forward(
|
|
|
|
| 1854 |
output_s_max=output_s_max,
|
| 1855 |
return_dict=True,
|
| 1856 |
compute_logits=False,
|
| 1857 |
+
compute_sae=compute_sae,
|
| 1858 |
+
normalize_sae=normalize_sae,
|
| 1859 |
)
|
| 1860 |
|
| 1861 |
last_hidden_state = output.last_hidden_state
|
|
|
|
| 1871 |
hidden_states=output.hidden_states,
|
| 1872 |
attentions=output.attentions,
|
| 1873 |
s_max=output.s_max,
|
| 1874 |
+
sae_outputs=output.sae_outputs,
|
| 1875 |
)
|
| 1876 |
return result if return_dict else result.to_tuple()
|
| 1877 |
|
fastplms_bundle.py
CHANGED
|
The diff for this file is too large to render.
See raw diff
|
|
|
modeling_fastplms.py
CHANGED
|
@@ -12,7 +12,7 @@ from zipfile import ZIP_DEFLATED, ZipFile
|
|
| 12 |
|
| 13 |
from .fastplms_bundle import RUNTIME_DATA, RUNTIME_HASH
|
| 14 |
|
| 15 |
-
if RUNTIME_HASH != "
|
| 16 |
raise RuntimeError("FastPLMs runtime identity differs from the bridge.")
|
| 17 |
|
| 18 |
_RUNTIME_TEMPORARIES = []
|
|
|
|
| 12 |
|
| 13 |
from .fastplms_bundle import RUNTIME_DATA, RUNTIME_HASH
|
| 14 |
|
| 15 |
+
if RUNTIME_HASH != "23133ece4b4c336a3e782b316afd5bcf7367b522de2827cb6153885c1ffe1e70":
|
| 16 |
raise RuntimeError("FastPLMs runtime identity differs from the bridge.")
|
| 17 |
|
| 18 |
_RUNTIME_TEMPORARIES = []
|