Instructions to use Synthyra/DPLM2-3B with libraries, inference providers, notebooks, and local apps. Follow these links to get started.
- Libraries
- Transformers
How to use Synthyra/DPLM2-3B with Transformers:
# Load model directly from transformers import EsmForDPLM2 model = EsmForDPLM2.from_pretrained("Synthyra/DPLM2-3B", trust_remote_code=True, dtype="auto") - Notebooks
- Google Colab
- Kaggle
Upload modeling_dplm2.py with huggingface_hub
Browse files- modeling_dplm2.py +1366 -0
modeling_dplm2.py
ADDED
|
@@ -0,0 +1,1366 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
### Embedding Mixin + Pooler
|
| 2 |
+
import os
|
| 3 |
+
import sqlite3
|
| 4 |
+
import networkx as nx
|
| 5 |
+
import numpy as np
|
| 6 |
+
import torch
|
| 7 |
+
from tqdm.auto import tqdm
|
| 8 |
+
from typing import Callable, List, Optional
|
| 9 |
+
from torch.utils.data import DataLoader
|
| 10 |
+
from torch.utils.data import Dataset as TorchDataset
|
| 11 |
+
from transformers import PreTrainedTokenizerBase
|
| 12 |
+
|
| 13 |
+
|
| 14 |
+
class Pooler:
|
| 15 |
+
def __init__(self, pooling_types: List[str]):
|
| 16 |
+
self.pooling_types = pooling_types
|
| 17 |
+
self.pooling_options = {
|
| 18 |
+
'mean': self.mean_pooling,
|
| 19 |
+
'max': self.max_pooling,
|
| 20 |
+
'norm': self.norm_pooling,
|
| 21 |
+
'median': self.median_pooling,
|
| 22 |
+
'std': self.std_pooling,
|
| 23 |
+
'var': self.var_pooling,
|
| 24 |
+
'cls': self.cls_pooling,
|
| 25 |
+
'parti': self._pool_parti,
|
| 26 |
+
}
|
| 27 |
+
|
| 28 |
+
def _create_pooled_matrices_across_layers(self, attentions: torch.Tensor) -> torch.Tensor:
|
| 29 |
+
maxed_attentions = torch.max(attentions, dim=1)[0]
|
| 30 |
+
return maxed_attentions
|
| 31 |
+
|
| 32 |
+
def _page_rank(self, attention_matrix, personalization=None, nstart=None, prune_type="top_k_outdegree"):
|
| 33 |
+
# Run PageRank on the attention matrix converted to a graph.
|
| 34 |
+
# Raises exceptions if the graph doesn't match the token sequence or has no edges.
|
| 35 |
+
# Returns the PageRank scores for each token node.
|
| 36 |
+
G = self._convert_to_graph(attention_matrix)
|
| 37 |
+
if G.number_of_nodes() != attention_matrix.shape[0]:
|
| 38 |
+
raise Exception(
|
| 39 |
+
f"The number of nodes in the graph should be equal to the number of tokens in sequence! You have {G.number_of_nodes()} nodes for {attention_matrix.shape[0]} tokens.")
|
| 40 |
+
if G.number_of_edges() == 0:
|
| 41 |
+
raise Exception(f"You don't seem to have any attention edges left in the graph.")
|
| 42 |
+
|
| 43 |
+
return nx.pagerank(G, alpha=0.85, tol=1e-06, weight='weight', personalization=personalization, nstart=nstart, max_iter=100)
|
| 44 |
+
|
| 45 |
+
def _convert_to_graph(self, matrix):
|
| 46 |
+
# Convert a matrix (e.g., attention scores) to a directed graph using networkx.
|
| 47 |
+
# Each element in the matrix represents a directed edge with a weight.
|
| 48 |
+
G = nx.from_numpy_array(matrix, create_using=nx.DiGraph)
|
| 49 |
+
return G
|
| 50 |
+
|
| 51 |
+
def _calculate_importance_weights(self, dict_importance, attention_mask: Optional[torch.Tensor] = None):
|
| 52 |
+
# Remove keys where attention_mask is 0
|
| 53 |
+
if attention_mask is not None:
|
| 54 |
+
for k in list(dict_importance.keys()):
|
| 55 |
+
if attention_mask[k] == 0:
|
| 56 |
+
del dict_importance[k]
|
| 57 |
+
|
| 58 |
+
#dict_importance[0] # remove cls
|
| 59 |
+
#dict_importance[-1] # remove eos
|
| 60 |
+
total = sum(dict_importance.values())
|
| 61 |
+
return np.array([v / total for _, v in dict_importance.items()])
|
| 62 |
+
|
| 63 |
+
def _pool_parti(self, emb: torch.Tensor, attentions: torch.Tensor, attention_mask: Optional[torch.Tensor] = None): # (b, L, d) -> (b, d)
|
| 64 |
+
maxed_attentions = self._create_pooled_matrices_across_layers(attentions).numpy()
|
| 65 |
+
# emb is (b, L, d), maxed_attentions is (b, L, L)
|
| 66 |
+
emb_pooled = []
|
| 67 |
+
for e, a, mask in zip(emb, maxed_attentions, attention_mask):
|
| 68 |
+
dict_importance = self._page_rank(a)
|
| 69 |
+
importance_weights = self._calculate_importance_weights(dict_importance, mask)
|
| 70 |
+
num_tokens = int(mask.sum().item())
|
| 71 |
+
emb_pooled.append(np.average(e[:num_tokens], weights=importance_weights, axis=0))
|
| 72 |
+
pooled = torch.tensor(np.array(emb_pooled))
|
| 73 |
+
return pooled
|
| 74 |
+
|
| 75 |
+
def mean_pooling(self, emb: torch.Tensor, attention_mask: Optional[torch.Tensor] = None, **kwargs): # (b, L, d) -> (b, d)
|
| 76 |
+
if attention_mask is None:
|
| 77 |
+
return emb.mean(dim=1)
|
| 78 |
+
else:
|
| 79 |
+
attention_mask = attention_mask.unsqueeze(-1)
|
| 80 |
+
return (emb * attention_mask).sum(dim=1) / attention_mask.sum(dim=1)
|
| 81 |
+
|
| 82 |
+
def max_pooling(self, emb: torch.Tensor, attention_mask: Optional[torch.Tensor] = None, **kwargs): # (b, L, d) -> (b, d)
|
| 83 |
+
if attention_mask is None:
|
| 84 |
+
return emb.max(dim=1).values
|
| 85 |
+
else:
|
| 86 |
+
attention_mask = attention_mask.unsqueeze(-1)
|
| 87 |
+
return (emb * attention_mask).max(dim=1).values
|
| 88 |
+
|
| 89 |
+
def norm_pooling(self, emb: torch.Tensor, attention_mask: Optional[torch.Tensor] = None, **kwargs): # (b, L, d) -> (b, d)
|
| 90 |
+
if attention_mask is None:
|
| 91 |
+
return emb.norm(dim=1, p=2)
|
| 92 |
+
else:
|
| 93 |
+
attention_mask = attention_mask.unsqueeze(-1)
|
| 94 |
+
return (emb * attention_mask).norm(dim=1, p=2)
|
| 95 |
+
|
| 96 |
+
def median_pooling(self, emb: torch.Tensor, attention_mask: Optional[torch.Tensor] = None, **kwargs): # (b, L, d) -> (b, d)
|
| 97 |
+
if attention_mask is None:
|
| 98 |
+
return emb.median(dim=1).values
|
| 99 |
+
else:
|
| 100 |
+
attention_mask = attention_mask.unsqueeze(-1)
|
| 101 |
+
return (emb * attention_mask).median(dim=1).values
|
| 102 |
+
|
| 103 |
+
def std_pooling(self, emb: torch.Tensor, attention_mask: Optional[torch.Tensor] = None, **kwargs): # (b, L, d) -> (b, d)
|
| 104 |
+
if attention_mask is None:
|
| 105 |
+
return emb.std(dim=1)
|
| 106 |
+
else:
|
| 107 |
+
# Compute variance correctly over non-masked positions, then take sqrt
|
| 108 |
+
var = self.var_pooling(emb, attention_mask, **kwargs)
|
| 109 |
+
return torch.sqrt(var)
|
| 110 |
+
|
| 111 |
+
def var_pooling(self, emb: torch.Tensor, attention_mask: Optional[torch.Tensor] = None, **kwargs): # (b, L, d) -> (b, d)
|
| 112 |
+
if attention_mask is None:
|
| 113 |
+
return emb.var(dim=1)
|
| 114 |
+
else:
|
| 115 |
+
# Correctly compute variance over only non-masked positions
|
| 116 |
+
attention_mask = attention_mask.unsqueeze(-1) # (b, L, 1)
|
| 117 |
+
# Compute mean over non-masked positions
|
| 118 |
+
mean = (emb * attention_mask).sum(dim=1) / attention_mask.sum(dim=1) # (b, d)
|
| 119 |
+
mean = mean.unsqueeze(1) # (b, 1, d)
|
| 120 |
+
# Compute squared differences from mean, only over non-masked positions
|
| 121 |
+
squared_diff = (emb - mean) ** 2 # (b, L, d)
|
| 122 |
+
# Sum squared differences over non-masked positions and divide by count
|
| 123 |
+
var = (squared_diff * attention_mask).sum(dim=1) / attention_mask.sum(dim=1) # (b, d)
|
| 124 |
+
return var
|
| 125 |
+
|
| 126 |
+
def cls_pooling(self, emb: torch.Tensor, attention_mask: Optional[torch.Tensor] = None, **kwargs): # (b, L, d) -> (b, d)
|
| 127 |
+
return emb[:, 0, :]
|
| 128 |
+
|
| 129 |
+
def __call__(
|
| 130 |
+
self,
|
| 131 |
+
emb: torch.Tensor,
|
| 132 |
+
attention_mask: Optional[torch.Tensor] = None,
|
| 133 |
+
attentions: Optional[torch.Tensor] = None
|
| 134 |
+
): # [mean, max]
|
| 135 |
+
final_emb = []
|
| 136 |
+
for pooling_type in self.pooling_types:
|
| 137 |
+
final_emb.append(self.pooling_options[pooling_type](emb=emb, attention_mask=attention_mask, attentions=attentions)) # (b, d)
|
| 138 |
+
return torch.cat(final_emb, dim=-1) # (b, n_pooling_types * d)
|
| 139 |
+
|
| 140 |
+
|
| 141 |
+
class ProteinDataset(TorchDataset):
|
| 142 |
+
"""Simple dataset for protein sequences."""
|
| 143 |
+
def __init__(self, sequences: list[str]):
|
| 144 |
+
self.sequences = sequences
|
| 145 |
+
|
| 146 |
+
def __len__(self) -> int:
|
| 147 |
+
return len(self.sequences)
|
| 148 |
+
|
| 149 |
+
def __getitem__(self, idx: int) -> str:
|
| 150 |
+
return self.sequences[idx]
|
| 151 |
+
|
| 152 |
+
|
| 153 |
+
def build_collator(tokenizer: PreTrainedTokenizerBase) -> Callable[[list[str]], dict[str, torch.Tensor]]:
|
| 154 |
+
def _collate_fn(sequences: list[str]) -> dict[str, torch.Tensor]:
|
| 155 |
+
return tokenizer(sequences, return_tensors="pt", padding='longest')
|
| 156 |
+
return _collate_fn
|
| 157 |
+
|
| 158 |
+
|
| 159 |
+
class EmbeddingMixin:
|
| 160 |
+
def _embed(self, input_ids: torch.Tensor, attention_mask: Optional[torch.Tensor] = None) -> torch.Tensor:
|
| 161 |
+
raise NotImplementedError
|
| 162 |
+
|
| 163 |
+
@property
|
| 164 |
+
def device(self) -> torch.device:
|
| 165 |
+
"""Get the device of the model."""
|
| 166 |
+
return next(self.parameters()).device
|
| 167 |
+
|
| 168 |
+
def _read_sequences_from_db(self, db_path: str) -> set[str]:
|
| 169 |
+
"""Read sequences from SQLite database."""
|
| 170 |
+
sequences = []
|
| 171 |
+
with sqlite3.connect(db_path) as conn:
|
| 172 |
+
c = conn.cursor()
|
| 173 |
+
c.execute("SELECT sequence FROM embeddings")
|
| 174 |
+
while True:
|
| 175 |
+
row = c.fetchone()
|
| 176 |
+
if row is None:
|
| 177 |
+
break
|
| 178 |
+
sequences.append(row[0])
|
| 179 |
+
return set(sequences)
|
| 180 |
+
|
| 181 |
+
def _ensure_embeddings_table(self, conn: sqlite3.Connection) -> None:
|
| 182 |
+
cursor = conn.cursor()
|
| 183 |
+
cursor.execute(
|
| 184 |
+
"CREATE TABLE IF NOT EXISTS embeddings ("
|
| 185 |
+
"sequence TEXT PRIMARY KEY, "
|
| 186 |
+
"embedding BLOB NOT NULL, "
|
| 187 |
+
"shape TEXT, "
|
| 188 |
+
"dtype TEXT"
|
| 189 |
+
")"
|
| 190 |
+
)
|
| 191 |
+
cursor.execute("PRAGMA table_info(embeddings)")
|
| 192 |
+
rows = cursor.fetchall()
|
| 193 |
+
column_names = [row[1] for row in rows]
|
| 194 |
+
if "shape" not in column_names:
|
| 195 |
+
cursor.execute("ALTER TABLE embeddings ADD COLUMN shape TEXT")
|
| 196 |
+
if "dtype" not in column_names:
|
| 197 |
+
cursor.execute("ALTER TABLE embeddings ADD COLUMN dtype TEXT")
|
| 198 |
+
conn.commit()
|
| 199 |
+
|
| 200 |
+
def load_embeddings_from_pth(self, save_path: str) -> dict[str, torch.Tensor]:
|
| 201 |
+
assert os.path.exists(save_path), f"Embedding file does not exist: {save_path}"
|
| 202 |
+
payload = torch.load(save_path, map_location="cpu", weights_only=True)
|
| 203 |
+
assert isinstance(payload, dict), "Expected .pth embeddings file to contain a dictionary."
|
| 204 |
+
for sequence, tensor in payload.items():
|
| 205 |
+
assert isinstance(sequence, str), "Expected embedding dictionary keys to be sequences (str)."
|
| 206 |
+
assert isinstance(tensor, torch.Tensor), "Expected embedding dictionary values to be tensors."
|
| 207 |
+
return payload
|
| 208 |
+
|
| 209 |
+
def load_embeddings_from_db(self, db_path: str, sequences: Optional[List[str]] = None) -> dict[str, torch.Tensor]:
|
| 210 |
+
assert os.path.exists(db_path), f"Embedding database does not exist: {db_path}"
|
| 211 |
+
loaded: dict[str, torch.Tensor] = {}
|
| 212 |
+
with sqlite3.connect(db_path) as conn:
|
| 213 |
+
self._ensure_embeddings_table(conn)
|
| 214 |
+
cursor = conn.cursor()
|
| 215 |
+
if sequences is None:
|
| 216 |
+
cursor.execute("SELECT sequence, embedding, shape, dtype FROM embeddings")
|
| 217 |
+
else:
|
| 218 |
+
if len(sequences) == 0:
|
| 219 |
+
return loaded
|
| 220 |
+
placeholders = ",".join(["?"] * len(sequences))
|
| 221 |
+
cursor.execute(
|
| 222 |
+
f"SELECT sequence, embedding, shape, dtype FROM embeddings WHERE sequence IN ({placeholders})",
|
| 223 |
+
tuple(sequences),
|
| 224 |
+
)
|
| 225 |
+
|
| 226 |
+
rows = cursor.fetchall()
|
| 227 |
+
for row in rows:
|
| 228 |
+
sequence = row[0]
|
| 229 |
+
embedding_bytes = row[1]
|
| 230 |
+
shape_text = row[2]
|
| 231 |
+
dtype_text = row[3]
|
| 232 |
+
assert shape_text is not None, "Missing shape metadata in embeddings table."
|
| 233 |
+
assert dtype_text is not None, "Missing dtype metadata in embeddings table."
|
| 234 |
+
shape_values = [int(value) for value in shape_text.split(",") if len(value) > 0]
|
| 235 |
+
assert len(shape_values) > 0, f"Invalid shape metadata for sequence: {sequence}"
|
| 236 |
+
expected_size = int(np.prod(shape_values))
|
| 237 |
+
np_dtype = np.dtype(dtype_text)
|
| 238 |
+
array = np.frombuffer(embedding_bytes, dtype=np_dtype)
|
| 239 |
+
assert array.size == expected_size, f"Shape mismatch while reading sequence: {sequence}"
|
| 240 |
+
reshaped = array.copy().reshape(tuple(shape_values))
|
| 241 |
+
loaded[sequence] = torch.from_numpy(reshaped)
|
| 242 |
+
return loaded
|
| 243 |
+
|
| 244 |
+
def embed_dataset(
|
| 245 |
+
self,
|
| 246 |
+
sequences: List[str],
|
| 247 |
+
tokenizer: Optional[PreTrainedTokenizerBase] = None,
|
| 248 |
+
batch_size: int = 2,
|
| 249 |
+
max_len: int = 512,
|
| 250 |
+
truncate: bool = True,
|
| 251 |
+
full_embeddings: bool = False,
|
| 252 |
+
embed_dtype: torch.dtype = torch.float32,
|
| 253 |
+
pooling_types: List[str] = ['mean'],
|
| 254 |
+
num_workers: int = 0,
|
| 255 |
+
sql: bool = False,
|
| 256 |
+
save: bool = True,
|
| 257 |
+
sql_db_path: str = 'embeddings.db',
|
| 258 |
+
save_path: str = 'embeddings.pth',
|
| 259 |
+
**kwargs,
|
| 260 |
+
) -> Optional[dict[str, torch.Tensor]]:
|
| 261 |
+
"""
|
| 262 |
+
Embed a dataset of protein sequences.
|
| 263 |
+
|
| 264 |
+
Supports two modes:
|
| 265 |
+
- Tokenizer mode (ESM2/ESM++): provide `tokenizer`, `_embed(input_ids, attention_mask)` is used.
|
| 266 |
+
- Sequence mode (E1): pass `tokenizer=None`, `_embed(sequences, return_attention_mask=True, **kwargs)` is used.
|
| 267 |
+
"""
|
| 268 |
+
sequences = list(set([seq[:max_len] if truncate else seq for seq in sequences]))
|
| 269 |
+
sequences = sorted(sequences, key=len, reverse=True)
|
| 270 |
+
hidden_size = self.config.hidden_size
|
| 271 |
+
pooler = Pooler(pooling_types) if not full_embeddings else None
|
| 272 |
+
tokenizer_mode = tokenizer is not None
|
| 273 |
+
if tokenizer_mode:
|
| 274 |
+
collate_fn = build_collator(tokenizer)
|
| 275 |
+
device = self.device
|
| 276 |
+
else:
|
| 277 |
+
collate_fn = None
|
| 278 |
+
device = None
|
| 279 |
+
|
| 280 |
+
def get_embeddings(residue_embeddings: torch.Tensor, attention_mask: Optional[torch.Tensor] = None) -> torch.Tensor:
|
| 281 |
+
if full_embeddings or residue_embeddings.ndim == 2:
|
| 282 |
+
return residue_embeddings
|
| 283 |
+
return pooler(residue_embeddings, attention_mask)
|
| 284 |
+
|
| 285 |
+
def iter_batches(to_embed: List[str]):
|
| 286 |
+
if tokenizer_mode:
|
| 287 |
+
assert collate_fn is not None
|
| 288 |
+
assert device is not None
|
| 289 |
+
dataset = ProteinDataset(to_embed)
|
| 290 |
+
dataloader = DataLoader(dataset, batch_size=batch_size, num_workers=num_workers, collate_fn=collate_fn, shuffle=False)
|
| 291 |
+
for i, batch in tqdm(enumerate(dataloader), total=len(dataloader), desc='Embedding batches'):
|
| 292 |
+
seqs = to_embed[i * batch_size:(i + 1) * batch_size]
|
| 293 |
+
input_ids = batch['input_ids'].to(device)
|
| 294 |
+
attention_mask = batch['attention_mask'].to(device)
|
| 295 |
+
residue_embeddings = self._embed(input_ids, attention_mask)
|
| 296 |
+
yield seqs, residue_embeddings, attention_mask
|
| 297 |
+
else:
|
| 298 |
+
for batch_start in tqdm(range(0, len(to_embed), batch_size), desc='Embedding batches'):
|
| 299 |
+
seqs = to_embed[batch_start:batch_start + batch_size]
|
| 300 |
+
batch_output = self._embed(seqs, return_attention_mask=True, **kwargs)
|
| 301 |
+
assert isinstance(batch_output, tuple), "Sequence mode _embed must return (last_hidden_state, attention_mask)."
|
| 302 |
+
assert len(batch_output) == 2, "Sequence mode _embed must return exactly two values."
|
| 303 |
+
residue_embeddings, attention_mask = batch_output
|
| 304 |
+
assert isinstance(attention_mask, torch.Tensor), "Sequence mode _embed must return attention_mask as a torch.Tensor."
|
| 305 |
+
yield seqs, residue_embeddings, attention_mask
|
| 306 |
+
|
| 307 |
+
if sql:
|
| 308 |
+
conn = sqlite3.connect(sql_db_path)
|
| 309 |
+
self._ensure_embeddings_table(conn)
|
| 310 |
+
c = conn.cursor()
|
| 311 |
+
already_embedded = self._read_sequences_from_db(sql_db_path)
|
| 312 |
+
to_embed = [seq for seq in sequences if seq not in already_embedded]
|
| 313 |
+
print(f"Found {len(already_embedded)} already embedded sequences in {sql_db_path}")
|
| 314 |
+
print(f"Embedding {len(to_embed)} new sequences")
|
| 315 |
+
if len(to_embed) > 0:
|
| 316 |
+
with torch.no_grad():
|
| 317 |
+
for i, (seqs, residue_embeddings, attention_mask) in enumerate(iter_batches(to_embed)):
|
| 318 |
+
embeddings = get_embeddings(residue_embeddings, attention_mask).to(embed_dtype)
|
| 319 |
+
for seq, emb, mask in zip(seqs, embeddings, attention_mask):
|
| 320 |
+
if full_embeddings:
|
| 321 |
+
emb = emb[mask.bool()].reshape(-1, hidden_size)
|
| 322 |
+
emb_np = emb.cpu().numpy()
|
| 323 |
+
emb_shape = ",".join([str(dim) for dim in emb_np.shape])
|
| 324 |
+
emb_dtype = str(emb_np.dtype)
|
| 325 |
+
c.execute(
|
| 326 |
+
"INSERT OR REPLACE INTO embeddings (sequence, embedding, shape, dtype) VALUES (?, ?, ?, ?)",
|
| 327 |
+
(seq, emb_np.tobytes(), emb_shape, emb_dtype),
|
| 328 |
+
)
|
| 329 |
+
if tokenizer_mode and (i + 1) % 100 == 0:
|
| 330 |
+
conn.commit()
|
| 331 |
+
conn.commit()
|
| 332 |
+
conn.close()
|
| 333 |
+
return None
|
| 334 |
+
|
| 335 |
+
embeddings_dict = {}
|
| 336 |
+
if os.path.exists(save_path):
|
| 337 |
+
embeddings_dict = self.load_embeddings_from_pth(save_path)
|
| 338 |
+
to_embed = [seq for seq in sequences if seq not in embeddings_dict]
|
| 339 |
+
print(f"Found {len(embeddings_dict)} already embedded sequences in {save_path}")
|
| 340 |
+
print(f"Embedding {len(to_embed)} new sequences")
|
| 341 |
+
else:
|
| 342 |
+
to_embed = sequences
|
| 343 |
+
print(f"Embedding {len(to_embed)} new sequences")
|
| 344 |
+
|
| 345 |
+
if len(to_embed) > 0:
|
| 346 |
+
with torch.no_grad():
|
| 347 |
+
for seqs, residue_embeddings, attention_mask in iter_batches(to_embed):
|
| 348 |
+
embeddings = get_embeddings(residue_embeddings, attention_mask).to(embed_dtype)
|
| 349 |
+
for seq, emb, mask in zip(seqs, embeddings, attention_mask):
|
| 350 |
+
if full_embeddings:
|
| 351 |
+
emb = emb[mask.bool()].reshape(-1, hidden_size)
|
| 352 |
+
embeddings_dict[seq] = emb.cpu()
|
| 353 |
+
|
| 354 |
+
if save:
|
| 355 |
+
torch.save(embeddings_dict, save_path)
|
| 356 |
+
|
| 357 |
+
return embeddings_dict
|
| 358 |
+
|
| 359 |
+
|
| 360 |
+
"""
|
| 361 |
+
FastPLMs-compatible DPLM2 implementation.
|
| 362 |
+
"""
|
| 363 |
+
|
| 364 |
+
import torch
|
| 365 |
+
import torch.nn as nn
|
| 366 |
+
from torch.nn import functional as F
|
| 367 |
+
from dataclasses import dataclass
|
| 368 |
+
from typing import List, Optional, Tuple, Union
|
| 369 |
+
|
| 370 |
+
from transformers import EsmTokenizer
|
| 371 |
+
from transformers.modeling_outputs import (
|
| 372 |
+
BaseModelOutputWithPastAndCrossAttentions,
|
| 373 |
+
BaseModelOutputWithPoolingAndCrossAttentions,
|
| 374 |
+
ModelOutput,
|
| 375 |
+
SequenceClassifierOutput,
|
| 376 |
+
TokenClassifierOutput,
|
| 377 |
+
)
|
| 378 |
+
from transformers.models.esm.configuration_esm import EsmConfig
|
| 379 |
+
from transformers.models.esm.modeling_esm import (
|
| 380 |
+
EsmAttention,
|
| 381 |
+
EsmClassificationHead,
|
| 382 |
+
EsmEmbeddings,
|
| 383 |
+
EsmEncoder,
|
| 384 |
+
EsmIntermediate,
|
| 385 |
+
EsmLayer,
|
| 386 |
+
EsmLMHead,
|
| 387 |
+
EsmOutput,
|
| 388 |
+
EsmPooler,
|
| 389 |
+
EsmPreTrainedModel,
|
| 390 |
+
EsmSelfAttention,
|
| 391 |
+
EsmSelfOutput,
|
| 392 |
+
RotaryEmbedding,
|
| 393 |
+
apply_rotary_pos_emb,
|
| 394 |
+
)
|
| 395 |
+
|
| 396 |
+
try:
|
| 397 |
+
from torch.nn.attention.flex_attention import create_block_mask, flex_attention
|
| 398 |
+
except (ImportError, AttributeError):
|
| 399 |
+
create_block_mask = None
|
| 400 |
+
flex_attention = None
|
| 401 |
+
|
| 402 |
+
|
| 403 |
+
from transformers import PreTrainedTokenizerBase
|
| 404 |
+
|
| 405 |
+
|
| 406 |
+
class BaseSequenceTokenizer:
|
| 407 |
+
def __init__(self, tokenizer: PreTrainedTokenizerBase):
|
| 408 |
+
self.tokenizer = tokenizer
|
| 409 |
+
|
| 410 |
+
def __call__(self, sequences, **kwargs):
|
| 411 |
+
raise NotImplementedError
|
| 412 |
+
|
| 413 |
+
|
| 414 |
+
def get_attention_mask(
|
| 415 |
+
attn_backend: str,
|
| 416 |
+
batch_size: int,
|
| 417 |
+
seq_len: int,
|
| 418 |
+
device: torch.device,
|
| 419 |
+
attention_mask: Optional[torch.Tensor] = None,
|
| 420 |
+
) -> Tuple[Optional[torch.Tensor], Optional[object]]:
|
| 421 |
+
if attention_mask is None:
|
| 422 |
+
attention_mask_2d = torch.ones((batch_size, seq_len), device=device).bool()
|
| 423 |
+
else:
|
| 424 |
+
attention_mask_2d = attention_mask.bool()
|
| 425 |
+
|
| 426 |
+
if attn_backend == "flex":
|
| 427 |
+
assert create_block_mask is not None, "Flex attention backend requested but torch.create_block_mask is unavailable."
|
| 428 |
+
|
| 429 |
+
if attention_mask is None:
|
| 430 |
+
flex_block_mask = None
|
| 431 |
+
else:
|
| 432 |
+
valid_lens = attention_mask_2d.sum(dim=-1)
|
| 433 |
+
|
| 434 |
+
def mask_mod(batch_idx, head_idx, q_idx, kv_idx):
|
| 435 |
+
return (q_idx < valid_lens[batch_idx]) & (kv_idx < valid_lens[batch_idx])
|
| 436 |
+
|
| 437 |
+
flex_block_mask = create_block_mask(
|
| 438 |
+
mask_mod,
|
| 439 |
+
batch_size,
|
| 440 |
+
1,
|
| 441 |
+
seq_len,
|
| 442 |
+
seq_len,
|
| 443 |
+
device=device,
|
| 444 |
+
)
|
| 445 |
+
attention_mask_4d = None
|
| 446 |
+
else:
|
| 447 |
+
flex_block_mask = None
|
| 448 |
+
attention_mask_4d = attention_mask_2d[:, None, :, None] & attention_mask_2d[:, None, None, :]
|
| 449 |
+
|
| 450 |
+
return attention_mask_4d, flex_block_mask
|
| 451 |
+
|
| 452 |
+
|
| 453 |
+
def _infer_modality_type(input_ids: torch.Tensor, attention_mask: torch.Tensor) -> torch.Tensor:
|
| 454 |
+
input_mask = attention_mask.bool()
|
| 455 |
+
modality_type = ((input_ids < 33) & input_mask).int()
|
| 456 |
+
modality_type[~input_mask] = 2
|
| 457 |
+
return modality_type
|
| 458 |
+
|
| 459 |
+
|
| 460 |
+
@dataclass
|
| 461 |
+
class DPLM2MaskedLMOutput(ModelOutput):
|
| 462 |
+
loss: Optional[torch.Tensor] = None
|
| 463 |
+
logits: Optional[torch.Tensor] = None
|
| 464 |
+
last_hidden_state: Optional[torch.Tensor] = None
|
| 465 |
+
hidden_states: Optional[Tuple[torch.Tensor, ...]] = None
|
| 466 |
+
attentions: Optional[Tuple[torch.Tensor, ...]] = None
|
| 467 |
+
|
| 468 |
+
|
| 469 |
+
class DPLM2Config(EsmConfig):
|
| 470 |
+
model_type = "dplm2"
|
| 471 |
+
|
| 472 |
+
def __init__(
|
| 473 |
+
self,
|
| 474 |
+
attn_backend: str = "sdpa",
|
| 475 |
+
aa_type: int = 1,
|
| 476 |
+
struct_type: int = 0,
|
| 477 |
+
pad_type: int = 2,
|
| 478 |
+
**kwargs,
|
| 479 |
+
):
|
| 480 |
+
super().__init__(**kwargs)
|
| 481 |
+
self.attn_backend = attn_backend
|
| 482 |
+
self.aa_type = aa_type
|
| 483 |
+
self.struct_type = struct_type
|
| 484 |
+
self.pad_type = pad_type
|
| 485 |
+
self.tie_word_embeddings = False
|
| 486 |
+
|
| 487 |
+
|
| 488 |
+
class DPLM2PreTrainedModel(EsmPreTrainedModel):
|
| 489 |
+
config_class = DPLM2Config
|
| 490 |
+
base_model_prefix = "dplm2"
|
| 491 |
+
supports_gradient_checkpointing = True
|
| 492 |
+
tokenizer = EsmTokenizer.from_pretrained("facebook/esm2_t6_8M_UR50D")
|
| 493 |
+
all_tied_weights_keys = {}
|
| 494 |
+
|
| 495 |
+
@classmethod
|
| 496 |
+
def is_remote_code(cls) -> bool:
|
| 497 |
+
# Prevent post-load reinitialization of tensors already loaded from checkpoints.
|
| 498 |
+
return True
|
| 499 |
+
|
| 500 |
+
@property
|
| 501 |
+
def attn_backend(self) -> str:
|
| 502 |
+
return self.config.attn_backend
|
| 503 |
+
|
| 504 |
+
@attn_backend.setter
|
| 505 |
+
def attn_backend(self, backend: str) -> None:
|
| 506 |
+
assert backend in ("sdpa", "flex"), f"Unsupported attn_backend: {backend}"
|
| 507 |
+
self.config.attn_backend = backend
|
| 508 |
+
|
| 509 |
+
|
| 510 |
+
|
| 511 |
+
class ModifiedRotaryEmbedding(RotaryEmbedding):
|
| 512 |
+
def __init__(self, dim: int, aa_type: int, struct_type: int):
|
| 513 |
+
super().__init__(dim)
|
| 514 |
+
self.aa_type = aa_type
|
| 515 |
+
self.struct_type = struct_type
|
| 516 |
+
|
| 517 |
+
def _has_multimodal_tokens(self, type_ids: Optional[torch.Tensor]) -> bool:
|
| 518 |
+
if type_ids is None:
|
| 519 |
+
return False
|
| 520 |
+
aa_present = (type_ids == self.aa_type).any()
|
| 521 |
+
struct_present = (type_ids == self.struct_type).any()
|
| 522 |
+
return bool(aa_present and struct_present)
|
| 523 |
+
|
| 524 |
+
def _update_cos_sin_tables(
|
| 525 |
+
self,
|
| 526 |
+
x: torch.Tensor,
|
| 527 |
+
type_ids: Optional[torch.Tensor],
|
| 528 |
+
seq_dimension: int = 2,
|
| 529 |
+
) -> Tuple[torch.Tensor, torch.Tensor]:
|
| 530 |
+
seq_len = x.shape[seq_dimension]
|
| 531 |
+
if self._has_multimodal_tokens(type_ids):
|
| 532 |
+
seq_len = seq_len // 2
|
| 533 |
+
|
| 534 |
+
cache_is_stale = (
|
| 535 |
+
self._cos_cached is None
|
| 536 |
+
or self._sin_cached is None
|
| 537 |
+
or seq_len != self._seq_len_cached
|
| 538 |
+
or self._cos_cached.device != x.device
|
| 539 |
+
)
|
| 540 |
+
if cache_is_stale:
|
| 541 |
+
self._seq_len_cached = seq_len
|
| 542 |
+
t = torch.arange(seq_len, device=x.device).type_as(self.inv_freq)
|
| 543 |
+
freqs = torch.outer(t, self.inv_freq)
|
| 544 |
+
emb = torch.cat((freqs, freqs), dim=-1).to(x.device)
|
| 545 |
+
self._cos_cached = emb.cos()[None, None, :, :]
|
| 546 |
+
self._sin_cached = emb.sin()[None, None, :, :]
|
| 547 |
+
|
| 548 |
+
return self._cos_cached, self._sin_cached
|
| 549 |
+
|
| 550 |
+
def forward(
|
| 551 |
+
self,
|
| 552 |
+
q: torch.Tensor,
|
| 553 |
+
k: torch.Tensor,
|
| 554 |
+
type_ids: Optional[torch.Tensor],
|
| 555 |
+
) -> Tuple[torch.Tensor, torch.Tensor]:
|
| 556 |
+
self._cos_cached, self._sin_cached = self._update_cos_sin_tables(
|
| 557 |
+
k,
|
| 558 |
+
type_ids=type_ids,
|
| 559 |
+
seq_dimension=-2,
|
| 560 |
+
)
|
| 561 |
+
|
| 562 |
+
if self._has_multimodal_tokens(type_ids):
|
| 563 |
+
q_1, q_2 = q.chunk(2, dim=-2)
|
| 564 |
+
k_1, k_2 = k.chunk(2, dim=-2)
|
| 565 |
+
q_1 = apply_rotary_pos_emb(q_1, self._cos_cached, self._sin_cached)
|
| 566 |
+
q_2 = apply_rotary_pos_emb(q_2, self._cos_cached, self._sin_cached)
|
| 567 |
+
k_1 = apply_rotary_pos_emb(k_1, self._cos_cached, self._sin_cached)
|
| 568 |
+
k_2 = apply_rotary_pos_emb(k_2, self._cos_cached, self._sin_cached)
|
| 569 |
+
return torch.cat((q_1, q_2), dim=-2), torch.cat((k_1, k_2), dim=-2)
|
| 570 |
+
|
| 571 |
+
return (
|
| 572 |
+
apply_rotary_pos_emb(q, self._cos_cached, self._sin_cached),
|
| 573 |
+
apply_rotary_pos_emb(k, self._cos_cached, self._sin_cached),
|
| 574 |
+
)
|
| 575 |
+
|
| 576 |
+
|
| 577 |
+
class ModifiedEsmSelfAttention(EsmSelfAttention):
|
| 578 |
+
def __init__(self, config, position_embedding_type=None):
|
| 579 |
+
super().__init__(config, position_embedding_type)
|
| 580 |
+
self.config = config
|
| 581 |
+
self.rotary_embeddings = ModifiedRotaryEmbedding(
|
| 582 |
+
dim=self.attention_head_size,
|
| 583 |
+
aa_type=config.aa_type,
|
| 584 |
+
struct_type=config.struct_type,
|
| 585 |
+
)
|
| 586 |
+
|
| 587 |
+
def transpose_for_scores(self, x: torch.Tensor) -> torch.Tensor:
|
| 588 |
+
new_x_shape = x.size()[:-1] + (self.num_attention_heads, self.attention_head_size)
|
| 589 |
+
x = x.view(new_x_shape)
|
| 590 |
+
return x.permute(0, 2, 1, 3)
|
| 591 |
+
|
| 592 |
+
def forward(
|
| 593 |
+
self,
|
| 594 |
+
hidden_states: torch.Tensor,
|
| 595 |
+
attention_mask: Optional[torch.Tensor],
|
| 596 |
+
head_mask: Optional[torch.FloatTensor] = None,
|
| 597 |
+
encoder_hidden_states: Optional[torch.FloatTensor] = None,
|
| 598 |
+
encoder_attention_mask: Optional[torch.FloatTensor] = None,
|
| 599 |
+
past_key_value: Optional[Tuple[Tuple[torch.FloatTensor]]] = None,
|
| 600 |
+
output_attentions: Optional[bool] = False,
|
| 601 |
+
type_ids: Optional[torch.Tensor] = None,
|
| 602 |
+
past_key_values: Optional[Tuple[Tuple[torch.FloatTensor]]] = None,
|
| 603 |
+
flex_block_mask: Optional[object] = None,
|
| 604 |
+
**kwargs,
|
| 605 |
+
) -> Tuple[torch.Tensor]:
|
| 606 |
+
if past_key_values is not None:
|
| 607 |
+
past_key_value = past_key_values
|
| 608 |
+
|
| 609 |
+
mixed_query_layer = self.query(hidden_states)
|
| 610 |
+
is_cross_attention = encoder_hidden_states is not None
|
| 611 |
+
|
| 612 |
+
if is_cross_attention and past_key_value is not None:
|
| 613 |
+
key_layer = past_key_value[0]
|
| 614 |
+
value_layer = past_key_value[1]
|
| 615 |
+
attention_mask = encoder_attention_mask
|
| 616 |
+
elif is_cross_attention:
|
| 617 |
+
key_layer = self.transpose_for_scores(self.key(encoder_hidden_states))
|
| 618 |
+
value_layer = self.transpose_for_scores(self.value(encoder_hidden_states))
|
| 619 |
+
attention_mask = encoder_attention_mask
|
| 620 |
+
elif past_key_value is not None:
|
| 621 |
+
key_layer = self.transpose_for_scores(self.key(hidden_states))
|
| 622 |
+
value_layer = self.transpose_for_scores(self.value(hidden_states))
|
| 623 |
+
key_layer = torch.cat([past_key_value[0], key_layer], dim=2)
|
| 624 |
+
value_layer = torch.cat([past_key_value[1], value_layer], dim=2)
|
| 625 |
+
else:
|
| 626 |
+
key_layer = self.transpose_for_scores(self.key(hidden_states))
|
| 627 |
+
value_layer = self.transpose_for_scores(self.value(hidden_states))
|
| 628 |
+
|
| 629 |
+
query_layer = self.transpose_for_scores(mixed_query_layer) * self.attention_head_size**-0.5
|
| 630 |
+
|
| 631 |
+
if self.is_decoder:
|
| 632 |
+
past_key_value = (key_layer, value_layer)
|
| 633 |
+
|
| 634 |
+
if self.position_embedding_type == "rotary":
|
| 635 |
+
query_layer, key_layer = self.rotary_embeddings(query_layer, key_layer, type_ids)
|
| 636 |
+
|
| 637 |
+
if self.position_embedding_type in ["relative_key", "relative_key_query"]:
|
| 638 |
+
raise NotImplementedError
|
| 639 |
+
|
| 640 |
+
query_layer = query_layer.contiguous()
|
| 641 |
+
key_layer = key_layer.contiguous()
|
| 642 |
+
value_layer = value_layer.contiguous()
|
| 643 |
+
|
| 644 |
+
if output_attentions:
|
| 645 |
+
assert attention_mask is not None, "output_attentions=True requires a concrete attention mask."
|
| 646 |
+
attention_scores = torch.matmul(query_layer, key_layer.transpose(-1, -2))
|
| 647 |
+
attention_scores = attention_scores.masked_fill(attention_mask.logical_not(), float("-inf"))
|
| 648 |
+
attention_probs = F.softmax(attention_scores, dim=-1, dtype=torch.float32).to(query_layer.dtype)
|
| 649 |
+
context_layer = torch.matmul(attention_probs, value_layer)
|
| 650 |
+
else:
|
| 651 |
+
attention_probs = None
|
| 652 |
+
if self.config.attn_backend == "flex":
|
| 653 |
+
assert flex_attention is not None, "Flex attention backend requested but torch.flex_attention is unavailable."
|
| 654 |
+
assert query_layer.dtype in (torch.float16, torch.bfloat16), (
|
| 655 |
+
f"Flex attention backend requires float16 or bfloat16, got {query_layer.dtype}."
|
| 656 |
+
)
|
| 657 |
+
assert is_cross_attention is False, "Flex attention backend currently does not support cross-attention."
|
| 658 |
+
assert past_key_value is None, "Flex attention backend currently does not support KV caching."
|
| 659 |
+
assert flex_block_mask is not None, "Flex attention backend requires a block mask."
|
| 660 |
+
context_layer = flex_attention(
|
| 661 |
+
query_layer,
|
| 662 |
+
key_layer,
|
| 663 |
+
value_layer,
|
| 664 |
+
block_mask=flex_block_mask,
|
| 665 |
+
scale=1.0,
|
| 666 |
+
)
|
| 667 |
+
else:
|
| 668 |
+
context_layer = F.scaled_dot_product_attention(
|
| 669 |
+
query_layer,
|
| 670 |
+
key_layer,
|
| 671 |
+
value_layer,
|
| 672 |
+
attn_mask=attention_mask,
|
| 673 |
+
scale=1.0,
|
| 674 |
+
)
|
| 675 |
+
|
| 676 |
+
if head_mask is not None and torch.is_tensor(head_mask):
|
| 677 |
+
context_layer = context_layer * head_mask
|
| 678 |
+
|
| 679 |
+
context_layer = context_layer.permute(0, 2, 1, 3).contiguous()
|
| 680 |
+
new_context_layer_shape = context_layer.size()[:-2] + (self.all_head_size,)
|
| 681 |
+
context_layer = context_layer.view(new_context_layer_shape)
|
| 682 |
+
|
| 683 |
+
outputs = (context_layer, attention_probs)
|
| 684 |
+
if self.is_decoder:
|
| 685 |
+
outputs = outputs + (past_key_value,)
|
| 686 |
+
return outputs
|
| 687 |
+
|
| 688 |
+
|
| 689 |
+
class ModifiedEsmAttention(EsmAttention):
|
| 690 |
+
def __init__(self, config):
|
| 691 |
+
nn.Module.__init__(self)
|
| 692 |
+
self.self = ModifiedEsmSelfAttention(config)
|
| 693 |
+
self.output = EsmSelfOutput(config)
|
| 694 |
+
self.pruned_heads = set()
|
| 695 |
+
self.LayerNorm = nn.LayerNorm(config.hidden_size, eps=config.layer_norm_eps)
|
| 696 |
+
|
| 697 |
+
def forward(
|
| 698 |
+
self,
|
| 699 |
+
hidden_states: torch.Tensor,
|
| 700 |
+
attention_mask: Optional[torch.Tensor],
|
| 701 |
+
head_mask: Optional[torch.Tensor] = None,
|
| 702 |
+
encoder_hidden_states: Optional[torch.Tensor] = None,
|
| 703 |
+
encoder_attention_mask: Optional[torch.Tensor] = None,
|
| 704 |
+
past_key_value: Optional[Tuple[Tuple[torch.FloatTensor]]] = None,
|
| 705 |
+
output_attentions: bool = False,
|
| 706 |
+
type_ids: Optional[torch.Tensor] = None,
|
| 707 |
+
flex_block_mask: Optional[object] = None,
|
| 708 |
+
):
|
| 709 |
+
hidden_states_ln = self.LayerNorm(hidden_states)
|
| 710 |
+
self_outputs = self.self(
|
| 711 |
+
hidden_states_ln,
|
| 712 |
+
attention_mask,
|
| 713 |
+
head_mask,
|
| 714 |
+
encoder_hidden_states,
|
| 715 |
+
encoder_attention_mask,
|
| 716 |
+
past_key_value,
|
| 717 |
+
output_attentions,
|
| 718 |
+
type_ids,
|
| 719 |
+
flex_block_mask=flex_block_mask,
|
| 720 |
+
)
|
| 721 |
+
attention_output = self.output(self_outputs[0], hidden_states)
|
| 722 |
+
outputs = (attention_output,) + self_outputs[1:]
|
| 723 |
+
return outputs
|
| 724 |
+
|
| 725 |
+
|
| 726 |
+
class ModifiedEsmLayer(EsmLayer):
|
| 727 |
+
def __init__(self, config):
|
| 728 |
+
nn.Module.__init__(self)
|
| 729 |
+
self.chunk_size_feed_forward = config.chunk_size_feed_forward
|
| 730 |
+
self.seq_len_dim = 1
|
| 731 |
+
self.attention = ModifiedEsmAttention(config)
|
| 732 |
+
self.is_decoder = config.is_decoder
|
| 733 |
+
self.add_cross_attention = config.add_cross_attention
|
| 734 |
+
if self.add_cross_attention:
|
| 735 |
+
if self.is_decoder is False:
|
| 736 |
+
raise RuntimeError(f"{self} should be used as a decoder model if cross attention is added")
|
| 737 |
+
self.crossattention = ModifiedEsmAttention(config)
|
| 738 |
+
self.intermediate = EsmIntermediate(config)
|
| 739 |
+
self.output = EsmOutput(config)
|
| 740 |
+
self.LayerNorm = nn.LayerNorm(config.hidden_size, eps=config.layer_norm_eps)
|
| 741 |
+
|
| 742 |
+
def forward(
|
| 743 |
+
self,
|
| 744 |
+
hidden_states: torch.Tensor,
|
| 745 |
+
attention_mask: Optional[torch.Tensor],
|
| 746 |
+
head_mask: Optional[torch.Tensor] = None,
|
| 747 |
+
encoder_hidden_states: Optional[torch.Tensor] = None,
|
| 748 |
+
encoder_attention_mask: Optional[torch.Tensor] = None,
|
| 749 |
+
past_key_value: Optional[Tuple[Tuple[torch.FloatTensor]]] = None,
|
| 750 |
+
output_attentions: bool = False,
|
| 751 |
+
type_ids: Optional[torch.Tensor] = None,
|
| 752 |
+
flex_block_mask: Optional[object] = None,
|
| 753 |
+
):
|
| 754 |
+
self_attn_past_key_value = past_key_value[:2] if past_key_value is not None else None
|
| 755 |
+
self_attention_outputs = self.attention(
|
| 756 |
+
hidden_states,
|
| 757 |
+
attention_mask,
|
| 758 |
+
head_mask,
|
| 759 |
+
output_attentions=output_attentions,
|
| 760 |
+
past_key_value=self_attn_past_key_value,
|
| 761 |
+
type_ids=type_ids,
|
| 762 |
+
flex_block_mask=flex_block_mask,
|
| 763 |
+
)
|
| 764 |
+
attention_output = self_attention_outputs[0]
|
| 765 |
+
|
| 766 |
+
if self.is_decoder:
|
| 767 |
+
outputs = self_attention_outputs[1:-1]
|
| 768 |
+
present_key_value = self_attention_outputs[-1]
|
| 769 |
+
else:
|
| 770 |
+
outputs = self_attention_outputs[1:]
|
| 771 |
+
|
| 772 |
+
if self.is_decoder and encoder_hidden_states is not None:
|
| 773 |
+
if self.add_cross_attention is False:
|
| 774 |
+
raise AttributeError(
|
| 775 |
+
f"If `encoder_hidden_states` are passed, {self} has to be instantiated with cross-attention "
|
| 776 |
+
"layers by setting `config.add_cross_attention=True`"
|
| 777 |
+
)
|
| 778 |
+
|
| 779 |
+
cross_attn_past_key_value = past_key_value[-2:] if past_key_value is not None else None
|
| 780 |
+
cross_attention_outputs = self.crossattention(
|
| 781 |
+
attention_output,
|
| 782 |
+
attention_mask,
|
| 783 |
+
head_mask,
|
| 784 |
+
encoder_hidden_states,
|
| 785 |
+
encoder_attention_mask,
|
| 786 |
+
cross_attn_past_key_value,
|
| 787 |
+
output_attentions,
|
| 788 |
+
type_ids=None,
|
| 789 |
+
flex_block_mask=None,
|
| 790 |
+
)
|
| 791 |
+
attention_output = cross_attention_outputs[0]
|
| 792 |
+
outputs = outputs + cross_attention_outputs[1:-1]
|
| 793 |
+
present_key_value = present_key_value + cross_attention_outputs[-1]
|
| 794 |
+
|
| 795 |
+
layer_output = self.feed_forward_chunk(attention_output)
|
| 796 |
+
outputs = (layer_output,) + outputs
|
| 797 |
+
|
| 798 |
+
if self.is_decoder:
|
| 799 |
+
outputs = outputs + (present_key_value,)
|
| 800 |
+
return outputs
|
| 801 |
+
|
| 802 |
+
|
| 803 |
+
class ModifiedEsmEncoder(EsmEncoder):
|
| 804 |
+
def __init__(self, config):
|
| 805 |
+
nn.Module.__init__(self)
|
| 806 |
+
self.config = config
|
| 807 |
+
self.layer = nn.ModuleList([ModifiedEsmLayer(config) for _ in range(config.num_hidden_layers)])
|
| 808 |
+
self.emb_layer_norm_after = nn.LayerNorm(config.hidden_size, eps=config.layer_norm_eps)
|
| 809 |
+
self.gradient_checkpointing = False
|
| 810 |
+
|
| 811 |
+
def forward(
|
| 812 |
+
self,
|
| 813 |
+
hidden_states: torch.Tensor,
|
| 814 |
+
attention_mask: Optional[torch.Tensor],
|
| 815 |
+
head_mask: Optional[torch.Tensor] = None,
|
| 816 |
+
encoder_hidden_states: Optional[torch.Tensor] = None,
|
| 817 |
+
encoder_attention_mask: Optional[torch.Tensor] = None,
|
| 818 |
+
past_key_values: Optional[List[Tuple[Tuple[torch.FloatTensor]]]] = None,
|
| 819 |
+
use_cache: Optional[bool] = None,
|
| 820 |
+
output_attentions: bool = False,
|
| 821 |
+
output_hidden_states: bool = False,
|
| 822 |
+
return_dict: bool = True,
|
| 823 |
+
type_ids: Optional[torch.Tensor] = None,
|
| 824 |
+
flex_block_mask: Optional[object] = None,
|
| 825 |
+
):
|
| 826 |
+
all_hidden_states = () if output_hidden_states else None
|
| 827 |
+
all_self_attentions = () if output_attentions else None
|
| 828 |
+
all_cross_attentions = () if output_attentions and self.config.add_cross_attention else None
|
| 829 |
+
next_decoder_cache = () if use_cache else None
|
| 830 |
+
|
| 831 |
+
for i, layer_module in enumerate(self.layer):
|
| 832 |
+
if output_hidden_states:
|
| 833 |
+
all_hidden_states = all_hidden_states + (hidden_states,)
|
| 834 |
+
|
| 835 |
+
layer_head_mask = head_mask[i] if head_mask is not None else None
|
| 836 |
+
past_key_value = past_key_values[i] if past_key_values is not None else None
|
| 837 |
+
|
| 838 |
+
if self.gradient_checkpointing and self.training:
|
| 839 |
+
layer_outputs = self._gradient_checkpointing_func(
|
| 840 |
+
layer_module.__call__,
|
| 841 |
+
hidden_states,
|
| 842 |
+
attention_mask,
|
| 843 |
+
layer_head_mask,
|
| 844 |
+
encoder_hidden_states,
|
| 845 |
+
encoder_attention_mask,
|
| 846 |
+
past_key_value,
|
| 847 |
+
output_attentions,
|
| 848 |
+
type_ids,
|
| 849 |
+
flex_block_mask,
|
| 850 |
+
)
|
| 851 |
+
else:
|
| 852 |
+
layer_outputs = layer_module(
|
| 853 |
+
hidden_states,
|
| 854 |
+
attention_mask,
|
| 855 |
+
layer_head_mask,
|
| 856 |
+
encoder_hidden_states,
|
| 857 |
+
encoder_attention_mask,
|
| 858 |
+
past_key_value,
|
| 859 |
+
output_attentions,
|
| 860 |
+
type_ids,
|
| 861 |
+
flex_block_mask,
|
| 862 |
+
)
|
| 863 |
+
|
| 864 |
+
hidden_states = layer_outputs[0]
|
| 865 |
+
if use_cache:
|
| 866 |
+
next_decoder_cache = next_decoder_cache + (layer_outputs[-1],)
|
| 867 |
+
if output_attentions:
|
| 868 |
+
all_self_attentions = all_self_attentions + (layer_outputs[1],)
|
| 869 |
+
if self.config.add_cross_attention:
|
| 870 |
+
all_cross_attentions = all_cross_attentions + (layer_outputs[2],)
|
| 871 |
+
|
| 872 |
+
if self.emb_layer_norm_after:
|
| 873 |
+
hidden_states = self.emb_layer_norm_after(hidden_states)
|
| 874 |
+
|
| 875 |
+
if output_hidden_states:
|
| 876 |
+
all_hidden_states = all_hidden_states + (hidden_states,)
|
| 877 |
+
|
| 878 |
+
if return_dict is False:
|
| 879 |
+
return tuple(
|
| 880 |
+
value
|
| 881 |
+
for value in [
|
| 882 |
+
hidden_states,
|
| 883 |
+
next_decoder_cache,
|
| 884 |
+
all_hidden_states,
|
| 885 |
+
all_self_attentions,
|
| 886 |
+
all_cross_attentions,
|
| 887 |
+
]
|
| 888 |
+
if value is not None
|
| 889 |
+
)
|
| 890 |
+
|
| 891 |
+
return BaseModelOutputWithPastAndCrossAttentions(
|
| 892 |
+
last_hidden_state=hidden_states,
|
| 893 |
+
past_key_values=next_decoder_cache,
|
| 894 |
+
hidden_states=all_hidden_states,
|
| 895 |
+
attentions=all_self_attentions,
|
| 896 |
+
cross_attentions=all_cross_attentions,
|
| 897 |
+
)
|
| 898 |
+
|
| 899 |
+
|
| 900 |
+
class FAST_DPLM2_ENCODER(DPLM2PreTrainedModel, EmbeddingMixin):
|
| 901 |
+
"""Inner encoder class that holds the actual ESM-style weights (embeddings, encoder)
|
| 902 |
+
so that the weight keys are prefixed with 'esm.' in the outer DPLM2Model,
|
| 903 |
+
matching pretrained DPLM2 checkpoints."""
|
| 904 |
+
|
| 905 |
+
def __init__(self, config, **kwargs):
|
| 906 |
+
DPLM2PreTrainedModel.__init__(self, config, **kwargs)
|
| 907 |
+
self.config = config
|
| 908 |
+
self.embeddings = EsmEmbeddings(config)
|
| 909 |
+
self.encoder = ModifiedEsmEncoder(config)
|
| 910 |
+
self.post_init()
|
| 911 |
+
|
| 912 |
+
def get_input_embeddings(self) -> nn.Module:
|
| 913 |
+
return self.embeddings.word_embeddings
|
| 914 |
+
|
| 915 |
+
def set_input_embeddings(self, value):
|
| 916 |
+
self.embeddings.word_embeddings = value
|
| 917 |
+
|
| 918 |
+
def _embed(self, input_ids: torch.Tensor, attention_mask: Optional[torch.Tensor] = None) -> torch.Tensor:
|
| 919 |
+
if attention_mask is None:
|
| 920 |
+
attention_mask = input_ids.ne(self.config.pad_token_id)
|
| 921 |
+
type_ids = _infer_modality_type(input_ids, attention_mask)
|
| 922 |
+
outputs = self(
|
| 923 |
+
input_ids=input_ids,
|
| 924 |
+
attention_mask=attention_mask,
|
| 925 |
+
type_ids=type_ids,
|
| 926 |
+
output_hidden_states=False,
|
| 927 |
+
output_attentions=False,
|
| 928 |
+
return_dict=True,
|
| 929 |
+
)
|
| 930 |
+
return outputs.last_hidden_state
|
| 931 |
+
|
| 932 |
+
def _convert_head_mask_to_5d(self, head_mask: torch.Tensor, num_hidden_layers: int) -> torch.Tensor:
|
| 933 |
+
if head_mask.dim() == 1:
|
| 934 |
+
head_mask = head_mask.unsqueeze(0).unsqueeze(0).unsqueeze(-1).unsqueeze(-1)
|
| 935 |
+
head_mask = head_mask.expand(num_hidden_layers, -1, -1, -1, -1)
|
| 936 |
+
elif head_mask.dim() == 2:
|
| 937 |
+
head_mask = head_mask.unsqueeze(1).unsqueeze(-1).unsqueeze(-1)
|
| 938 |
+
assert head_mask.dim() == 5, f"head_mask.dim != 5, got {head_mask.dim()}"
|
| 939 |
+
head_mask = head_mask.to(dtype=self.dtype)
|
| 940 |
+
return head_mask
|
| 941 |
+
|
| 942 |
+
def get_head_mask(
|
| 943 |
+
self,
|
| 944 |
+
head_mask: Optional[torch.Tensor],
|
| 945 |
+
num_hidden_layers: int,
|
| 946 |
+
is_attention_chunked: bool = False,
|
| 947 |
+
) -> Union[torch.Tensor, List[None]]:
|
| 948 |
+
if head_mask is None:
|
| 949 |
+
return [None] * num_hidden_layers
|
| 950 |
+
head_mask = self._convert_head_mask_to_5d(head_mask, num_hidden_layers)
|
| 951 |
+
if is_attention_chunked:
|
| 952 |
+
head_mask = head_mask.unsqueeze(-1)
|
| 953 |
+
return head_mask
|
| 954 |
+
|
| 955 |
+
def forward(
|
| 956 |
+
self,
|
| 957 |
+
input_ids: Optional[torch.Tensor] = None,
|
| 958 |
+
attention_mask: Optional[torch.Tensor] = None,
|
| 959 |
+
position_ids: Optional[torch.Tensor] = None,
|
| 960 |
+
head_mask: Optional[torch.Tensor] = None,
|
| 961 |
+
inputs_embeds: Optional[torch.Tensor] = None,
|
| 962 |
+
encoder_hidden_states: Optional[torch.Tensor] = None,
|
| 963 |
+
encoder_attention_mask: Optional[torch.Tensor] = None,
|
| 964 |
+
past_key_values: Optional[List[torch.FloatTensor]] = None,
|
| 965 |
+
use_cache: Optional[bool] = None,
|
| 966 |
+
output_attentions: Optional[bool] = None,
|
| 967 |
+
output_hidden_states: Optional[bool] = None,
|
| 968 |
+
return_dict: Optional[bool] = None,
|
| 969 |
+
type_ids: Optional[torch.Tensor] = None,
|
| 970 |
+
) -> Union[Tuple[torch.Tensor], BaseModelOutputWithPoolingAndCrossAttentions]:
|
| 971 |
+
output_attentions = output_attentions if output_attentions is not None else self.config.output_attentions
|
| 972 |
+
output_hidden_states = output_hidden_states if output_hidden_states is not None else self.config.output_hidden_states
|
| 973 |
+
return_dict = return_dict if return_dict is not None else self.config.use_return_dict
|
| 974 |
+
|
| 975 |
+
if self.config.is_decoder:
|
| 976 |
+
use_cache = use_cache if use_cache is not None else self.config.use_cache
|
| 977 |
+
else:
|
| 978 |
+
use_cache = False
|
| 979 |
+
|
| 980 |
+
if input_ids is not None and inputs_embeds is not None:
|
| 981 |
+
raise ValueError("You cannot specify both input_ids and inputs_embeds at the same time")
|
| 982 |
+
if input_ids is not None:
|
| 983 |
+
input_shape = input_ids.size()
|
| 984 |
+
elif inputs_embeds is not None:
|
| 985 |
+
input_shape = inputs_embeds.size()[:-1]
|
| 986 |
+
else:
|
| 987 |
+
raise ValueError("You have to specify either input_ids or inputs_embeds")
|
| 988 |
+
|
| 989 |
+
batch_size, seq_length = input_shape
|
| 990 |
+
device = input_ids.device if input_ids is not None else inputs_embeds.device
|
| 991 |
+
past_key_values_length = past_key_values[0][0].shape[2] if past_key_values is not None else 0
|
| 992 |
+
|
| 993 |
+
if attention_mask is None:
|
| 994 |
+
attention_mask_2d = torch.ones((batch_size, seq_length + past_key_values_length), device=device).bool()
|
| 995 |
+
elif attention_mask.dim() == 2:
|
| 996 |
+
attention_mask_2d = attention_mask.bool()
|
| 997 |
+
elif attention_mask.dim() == 4:
|
| 998 |
+
assert input_ids is not None, "4D attention_mask requires input_ids to infer token-level mask."
|
| 999 |
+
attention_mask_2d = input_ids.ne(self.config.pad_token_id)
|
| 1000 |
+
else:
|
| 1001 |
+
raise ValueError(f"Unsupported attention_mask shape: {attention_mask.shape}")
|
| 1002 |
+
|
| 1003 |
+
if self.config.is_decoder and encoder_hidden_states is not None:
|
| 1004 |
+
encoder_batch_size, encoder_sequence_length, _ = encoder_hidden_states.size()
|
| 1005 |
+
encoder_hidden_shape = (encoder_batch_size, encoder_sequence_length)
|
| 1006 |
+
if encoder_attention_mask is None:
|
| 1007 |
+
encoder_attention_mask = torch.ones(encoder_hidden_shape, device=device)
|
| 1008 |
+
encoder_extended_attention_mask = self.invert_attention_mask(encoder_attention_mask)
|
| 1009 |
+
else:
|
| 1010 |
+
encoder_extended_attention_mask = encoder_attention_mask
|
| 1011 |
+
|
| 1012 |
+
head_mask = self.get_head_mask(head_mask, self.config.num_hidden_layers)
|
| 1013 |
+
|
| 1014 |
+
embedding_attention_mask = attention_mask_2d
|
| 1015 |
+
if embedding_attention_mask is None and input_ids is not None:
|
| 1016 |
+
embedding_attention_mask = input_ids.ne(self.config.pad_token_id)
|
| 1017 |
+
|
| 1018 |
+
if self.config.attn_backend == "flex" and output_attentions:
|
| 1019 |
+
raise AssertionError("output_attentions=True is not supported with attn_backend='flex'.")
|
| 1020 |
+
|
| 1021 |
+
attention_mask_4d, flex_block_mask = get_attention_mask(
|
| 1022 |
+
attn_backend=self.config.attn_backend,
|
| 1023 |
+
batch_size=batch_size,
|
| 1024 |
+
seq_len=seq_length,
|
| 1025 |
+
device=device,
|
| 1026 |
+
attention_mask=attention_mask_2d,
|
| 1027 |
+
)
|
| 1028 |
+
|
| 1029 |
+
embedding_output = self.embeddings(
|
| 1030 |
+
input_ids=input_ids,
|
| 1031 |
+
position_ids=position_ids,
|
| 1032 |
+
attention_mask=embedding_attention_mask,
|
| 1033 |
+
inputs_embeds=inputs_embeds,
|
| 1034 |
+
)
|
| 1035 |
+
encoder_outputs = self.encoder(
|
| 1036 |
+
embedding_output,
|
| 1037 |
+
attention_mask=attention_mask_4d,
|
| 1038 |
+
head_mask=head_mask,
|
| 1039 |
+
encoder_hidden_states=encoder_hidden_states,
|
| 1040 |
+
encoder_attention_mask=encoder_extended_attention_mask,
|
| 1041 |
+
past_key_values=past_key_values,
|
| 1042 |
+
use_cache=use_cache,
|
| 1043 |
+
output_attentions=output_attentions,
|
| 1044 |
+
output_hidden_states=output_hidden_states,
|
| 1045 |
+
return_dict=return_dict,
|
| 1046 |
+
type_ids=type_ids,
|
| 1047 |
+
flex_block_mask=flex_block_mask,
|
| 1048 |
+
)
|
| 1049 |
+
sequence_output = encoder_outputs[0]
|
| 1050 |
+
|
| 1051 |
+
if return_dict is False:
|
| 1052 |
+
return (sequence_output,) + encoder_outputs[1:]
|
| 1053 |
+
|
| 1054 |
+
return BaseModelOutputWithPoolingAndCrossAttentions(
|
| 1055 |
+
last_hidden_state=sequence_output,
|
| 1056 |
+
past_key_values=None,
|
| 1057 |
+
hidden_states=encoder_outputs.hidden_states,
|
| 1058 |
+
attentions=encoder_outputs.attentions,
|
| 1059 |
+
cross_attentions=encoder_outputs.cross_attentions,
|
| 1060 |
+
)
|
| 1061 |
+
|
| 1062 |
+
|
| 1063 |
+
class DPLM2Model(DPLM2PreTrainedModel, EmbeddingMixin):
|
| 1064 |
+
config_class = DPLM2Config
|
| 1065 |
+
def __init__(self, config, add_pooling_layer=True):
|
| 1066 |
+
DPLM2PreTrainedModel.__init__(self, config)
|
| 1067 |
+
self.config = config
|
| 1068 |
+
self.esm = FAST_DPLM2_ENCODER(config)
|
| 1069 |
+
self.pooler = EsmPooler(config) if add_pooling_layer else None
|
| 1070 |
+
self.post_init()
|
| 1071 |
+
|
| 1072 |
+
def get_input_embeddings(self) -> nn.Module:
|
| 1073 |
+
return self.esm.embeddings.word_embeddings
|
| 1074 |
+
|
| 1075 |
+
def set_input_embeddings(self, value):
|
| 1076 |
+
self.esm.embeddings.word_embeddings = value
|
| 1077 |
+
|
| 1078 |
+
def _embed(self, input_ids: torch.Tensor, attention_mask: Optional[torch.Tensor] = None) -> torch.Tensor:
|
| 1079 |
+
return self.esm._embed(input_ids, attention_mask)
|
| 1080 |
+
|
| 1081 |
+
def forward(
|
| 1082 |
+
self,
|
| 1083 |
+
input_ids: Optional[torch.Tensor] = None,
|
| 1084 |
+
attention_mask: Optional[torch.Tensor] = None,
|
| 1085 |
+
position_ids: Optional[torch.Tensor] = None,
|
| 1086 |
+
head_mask: Optional[torch.Tensor] = None,
|
| 1087 |
+
inputs_embeds: Optional[torch.Tensor] = None,
|
| 1088 |
+
encoder_hidden_states: Optional[torch.Tensor] = None,
|
| 1089 |
+
encoder_attention_mask: Optional[torch.Tensor] = None,
|
| 1090 |
+
past_key_values: Optional[List[torch.FloatTensor]] = None,
|
| 1091 |
+
use_cache: Optional[bool] = None,
|
| 1092 |
+
output_attentions: Optional[bool] = None,
|
| 1093 |
+
output_hidden_states: Optional[bool] = None,
|
| 1094 |
+
return_dict: Optional[bool] = None,
|
| 1095 |
+
type_ids: Optional[torch.Tensor] = None,
|
| 1096 |
+
) -> Union[Tuple[torch.Tensor], BaseModelOutputWithPoolingAndCrossAttentions]:
|
| 1097 |
+
outputs = self.esm(
|
| 1098 |
+
input_ids=input_ids,
|
| 1099 |
+
attention_mask=attention_mask,
|
| 1100 |
+
position_ids=position_ids,
|
| 1101 |
+
head_mask=head_mask,
|
| 1102 |
+
inputs_embeds=inputs_embeds,
|
| 1103 |
+
encoder_hidden_states=encoder_hidden_states,
|
| 1104 |
+
encoder_attention_mask=encoder_attention_mask,
|
| 1105 |
+
past_key_values=past_key_values,
|
| 1106 |
+
use_cache=use_cache,
|
| 1107 |
+
output_attentions=output_attentions,
|
| 1108 |
+
output_hidden_states=output_hidden_states,
|
| 1109 |
+
return_dict=return_dict,
|
| 1110 |
+
type_ids=type_ids,
|
| 1111 |
+
)
|
| 1112 |
+
sequence_output = outputs[0]
|
| 1113 |
+
pooled_output = self.pooler(sequence_output) if self.pooler is not None else None
|
| 1114 |
+
|
| 1115 |
+
return_dict = return_dict if return_dict is not None else self.config.use_return_dict
|
| 1116 |
+
if return_dict is False:
|
| 1117 |
+
return (sequence_output, pooled_output) + outputs[1:]
|
| 1118 |
+
|
| 1119 |
+
return BaseModelOutputWithPoolingAndCrossAttentions(
|
| 1120 |
+
last_hidden_state=sequence_output,
|
| 1121 |
+
pooler_output=pooled_output,
|
| 1122 |
+
past_key_values=None,
|
| 1123 |
+
hidden_states=outputs.hidden_states,
|
| 1124 |
+
attentions=outputs.attentions,
|
| 1125 |
+
cross_attentions=outputs.cross_attentions,
|
| 1126 |
+
)
|
| 1127 |
+
|
| 1128 |
+
|
| 1129 |
+
class DPLM2ForMaskedLM(DPLM2PreTrainedModel, EmbeddingMixin):
|
| 1130 |
+
config_class = DPLM2Config
|
| 1131 |
+
def __init__(self, config, dropout: float = 0.1, vocab_size: Optional[int] = None):
|
| 1132 |
+
config.hidden_dropout_prob = dropout
|
| 1133 |
+
config.tie_word_embeddings = False
|
| 1134 |
+
if vocab_size is not None:
|
| 1135 |
+
config.vocab_size = vocab_size
|
| 1136 |
+
DPLM2PreTrainedModel.__init__(self, config)
|
| 1137 |
+
self.esm = FAST_DPLM2_ENCODER(config)
|
| 1138 |
+
self.lm_head = EsmLMHead(config)
|
| 1139 |
+
self.loss_fct = nn.CrossEntropyLoss()
|
| 1140 |
+
self.post_init()
|
| 1141 |
+
self.pad_id = config.pad_token_id
|
| 1142 |
+
self.tokenizer = self.__class__.tokenizer
|
| 1143 |
+
if isinstance(config._name_or_path, str) and len(config._name_or_path) > 0:
|
| 1144 |
+
self.tokenizer = EsmTokenizer.from_pretrained(config._name_or_path)
|
| 1145 |
+
|
| 1146 |
+
def get_input_embeddings(self) -> nn.Module:
|
| 1147 |
+
return self.esm.get_input_embeddings()
|
| 1148 |
+
|
| 1149 |
+
def get_output_embeddings(self):
|
| 1150 |
+
return self.lm_head.decoder
|
| 1151 |
+
|
| 1152 |
+
def set_output_embeddings(self, new_embeddings):
|
| 1153 |
+
self.lm_head.decoder = new_embeddings
|
| 1154 |
+
|
| 1155 |
+
def _get_modality_type(self, input_ids: torch.Tensor, attention_mask: torch.Tensor) -> torch.Tensor:
|
| 1156 |
+
return _infer_modality_type(input_ids, attention_mask)
|
| 1157 |
+
|
| 1158 |
+
def _embed(self, input_ids: torch.Tensor, attention_mask: Optional[torch.Tensor] = None) -> torch.Tensor:
|
| 1159 |
+
if attention_mask is None:
|
| 1160 |
+
attention_mask = input_ids.ne(self.pad_id)
|
| 1161 |
+
type_ids = self._get_modality_type(input_ids, attention_mask)
|
| 1162 |
+
outputs = self.esm(
|
| 1163 |
+
input_ids=input_ids,
|
| 1164 |
+
attention_mask=attention_mask,
|
| 1165 |
+
type_ids=type_ids,
|
| 1166 |
+
output_attentions=False,
|
| 1167 |
+
output_hidden_states=False,
|
| 1168 |
+
return_dict=True,
|
| 1169 |
+
)
|
| 1170 |
+
return outputs.last_hidden_state
|
| 1171 |
+
|
| 1172 |
+
def forward(
|
| 1173 |
+
self,
|
| 1174 |
+
input_ids: Optional[torch.Tensor] = None,
|
| 1175 |
+
attention_mask: Optional[torch.Tensor] = None,
|
| 1176 |
+
type_ids: Optional[torch.Tensor] = None,
|
| 1177 |
+
inputs_embeds: Optional[torch.Tensor] = None,
|
| 1178 |
+
decoder_input_ids: Optional[torch.Tensor] = None,
|
| 1179 |
+
decoder_attention_mask: Optional[torch.Tensor] = None,
|
| 1180 |
+
decoder_inputs_embeds: Optional[torch.Tensor] = None,
|
| 1181 |
+
labels: Optional[torch.Tensor] = None,
|
| 1182 |
+
output_attentions: Optional[bool] = None,
|
| 1183 |
+
output_hidden_states: Optional[bool] = None,
|
| 1184 |
+
return_dict: Optional[bool] = None,
|
| 1185 |
+
encoder_hidden_states: Optional[torch.Tensor] = None,
|
| 1186 |
+
encoder_attention_mask: Optional[torch.Tensor] = None,
|
| 1187 |
+
) -> Union[Tuple[torch.Tensor], DPLM2MaskedLMOutput]:
|
| 1188 |
+
return_dict = return_dict if return_dict is not None else self.config.use_return_dict
|
| 1189 |
+
|
| 1190 |
+
if attention_mask is None:
|
| 1191 |
+
assert input_ids is not None
|
| 1192 |
+
attention_mask = input_ids.ne(self.pad_id)
|
| 1193 |
+
|
| 1194 |
+
if type_ids is None:
|
| 1195 |
+
assert input_ids is not None
|
| 1196 |
+
type_ids = self._get_modality_type(input_ids, attention_mask)
|
| 1197 |
+
|
| 1198 |
+
outputs = self.esm(
|
| 1199 |
+
input_ids=input_ids,
|
| 1200 |
+
inputs_embeds=inputs_embeds,
|
| 1201 |
+
attention_mask=attention_mask,
|
| 1202 |
+
encoder_hidden_states=encoder_hidden_states,
|
| 1203 |
+
encoder_attention_mask=encoder_attention_mask,
|
| 1204 |
+
output_attentions=output_attentions,
|
| 1205 |
+
output_hidden_states=output_hidden_states,
|
| 1206 |
+
return_dict=True,
|
| 1207 |
+
type_ids=type_ids,
|
| 1208 |
+
)
|
| 1209 |
+
|
| 1210 |
+
sequence_output = outputs.last_hidden_state
|
| 1211 |
+
logits = self.lm_head(sequence_output)
|
| 1212 |
+
loss = None
|
| 1213 |
+
if labels is not None:
|
| 1214 |
+
labels = labels.to(logits.device)
|
| 1215 |
+
loss = self.loss_fct(logits.view(-1, self.config.vocab_size), labels.view(-1))
|
| 1216 |
+
|
| 1217 |
+
if return_dict is False:
|
| 1218 |
+
output = (logits, sequence_output, outputs.hidden_states, outputs.attentions)
|
| 1219 |
+
if loss is not None:
|
| 1220 |
+
return (loss,) + output
|
| 1221 |
+
return output
|
| 1222 |
+
|
| 1223 |
+
return DPLM2MaskedLMOutput(
|
| 1224 |
+
loss=loss,
|
| 1225 |
+
logits=logits,
|
| 1226 |
+
last_hidden_state=sequence_output,
|
| 1227 |
+
hidden_states=outputs.hidden_states,
|
| 1228 |
+
attentions=outputs.attentions,
|
| 1229 |
+
)
|
| 1230 |
+
|
| 1231 |
+
|
| 1232 |
+
class DPLM2ForSequenceClassification(DPLM2PreTrainedModel, EmbeddingMixin):
|
| 1233 |
+
config_class = DPLM2Config
|
| 1234 |
+
|
| 1235 |
+
def __init__(self, config):
|
| 1236 |
+
DPLM2PreTrainedModel.__init__(self, config)
|
| 1237 |
+
self.num_labels = config.num_labels
|
| 1238 |
+
self.esm = FAST_DPLM2_ENCODER(config)
|
| 1239 |
+
self.classifier = EsmClassificationHead(config)
|
| 1240 |
+
self.mse = nn.MSELoss()
|
| 1241 |
+
self.ce = nn.CrossEntropyLoss()
|
| 1242 |
+
self.bce = nn.BCEWithLogitsLoss()
|
| 1243 |
+
self.post_init()
|
| 1244 |
+
|
| 1245 |
+
def get_input_embeddings(self) -> nn.Module:
|
| 1246 |
+
return self.esm.get_input_embeddings()
|
| 1247 |
+
|
| 1248 |
+
def _embed(self, input_ids: torch.Tensor, attention_mask: Optional[torch.Tensor] = None) -> torch.Tensor:
|
| 1249 |
+
return self.esm._embed(input_ids, attention_mask)
|
| 1250 |
+
|
| 1251 |
+
def forward(
|
| 1252 |
+
self,
|
| 1253 |
+
input_ids: Optional[torch.Tensor] = None,
|
| 1254 |
+
attention_mask: Optional[torch.Tensor] = None,
|
| 1255 |
+
type_ids: Optional[torch.Tensor] = None,
|
| 1256 |
+
inputs_embeds: Optional[torch.Tensor] = None,
|
| 1257 |
+
labels: Optional[torch.Tensor] = None,
|
| 1258 |
+
output_attentions: Optional[bool] = None,
|
| 1259 |
+
output_hidden_states: Optional[bool] = None,
|
| 1260 |
+
return_dict: Optional[bool] = None,
|
| 1261 |
+
**kwargs,
|
| 1262 |
+
) -> Union[Tuple[torch.Tensor], SequenceClassifierOutput]:
|
| 1263 |
+
if type_ids is None and input_ids is not None:
|
| 1264 |
+
if attention_mask is None:
|
| 1265 |
+
attention_mask = input_ids.ne(self.config.pad_token_id)
|
| 1266 |
+
type_ids = _infer_modality_type(input_ids, attention_mask)
|
| 1267 |
+
|
| 1268 |
+
outputs = self.esm(
|
| 1269 |
+
input_ids=input_ids,
|
| 1270 |
+
attention_mask=attention_mask,
|
| 1271 |
+
type_ids=type_ids,
|
| 1272 |
+
inputs_embeds=inputs_embeds,
|
| 1273 |
+
output_attentions=output_attentions,
|
| 1274 |
+
output_hidden_states=output_hidden_states,
|
| 1275 |
+
return_dict=True,
|
| 1276 |
+
)
|
| 1277 |
+
sequence_output = outputs.last_hidden_state
|
| 1278 |
+
logits = self.classifier(sequence_output)
|
| 1279 |
+
|
| 1280 |
+
loss = None
|
| 1281 |
+
if labels is not None:
|
| 1282 |
+
labels = labels.to(logits.device)
|
| 1283 |
+
if self.config.problem_type is None:
|
| 1284 |
+
if self.num_labels == 1:
|
| 1285 |
+
self.config.problem_type = "regression"
|
| 1286 |
+
elif self.num_labels > 1 and (labels.dtype == torch.long or labels.dtype == torch.int):
|
| 1287 |
+
self.config.problem_type = "single_label_classification"
|
| 1288 |
+
else:
|
| 1289 |
+
self.config.problem_type = "multi_label_classification"
|
| 1290 |
+
|
| 1291 |
+
if self.config.problem_type == "regression":
|
| 1292 |
+
if self.num_labels == 1:
|
| 1293 |
+
loss = self.mse(logits.squeeze(), labels.squeeze())
|
| 1294 |
+
else:
|
| 1295 |
+
loss = self.mse(logits, labels)
|
| 1296 |
+
elif self.config.problem_type == "single_label_classification":
|
| 1297 |
+
loss = self.ce(logits.view(-1, self.num_labels), labels.view(-1))
|
| 1298 |
+
elif self.config.problem_type == "multi_label_classification":
|
| 1299 |
+
loss = self.bce(logits, labels)
|
| 1300 |
+
|
| 1301 |
+
return SequenceClassifierOutput(
|
| 1302 |
+
loss=loss,
|
| 1303 |
+
logits=logits,
|
| 1304 |
+
hidden_states=outputs.hidden_states,
|
| 1305 |
+
attentions=outputs.attentions,
|
| 1306 |
+
)
|
| 1307 |
+
|
| 1308 |
+
|
| 1309 |
+
class DPLM2ForTokenClassification(DPLM2PreTrainedModel, EmbeddingMixin):
|
| 1310 |
+
config_class = DPLM2Config
|
| 1311 |
+
|
| 1312 |
+
def __init__(self, config):
|
| 1313 |
+
DPLM2PreTrainedModel.__init__(self, config)
|
| 1314 |
+
self.num_labels = config.num_labels
|
| 1315 |
+
self.esm = FAST_DPLM2_ENCODER(config)
|
| 1316 |
+
self.dropout = nn.Dropout(config.hidden_dropout_prob)
|
| 1317 |
+
self.classifier = nn.Linear(config.hidden_size, config.num_labels)
|
| 1318 |
+
self.loss_fct = nn.CrossEntropyLoss()
|
| 1319 |
+
self.post_init()
|
| 1320 |
+
|
| 1321 |
+
def get_input_embeddings(self) -> nn.Module:
|
| 1322 |
+
return self.esm.get_input_embeddings()
|
| 1323 |
+
|
| 1324 |
+
def _embed(self, input_ids: torch.Tensor, attention_mask: Optional[torch.Tensor] = None) -> torch.Tensor:
|
| 1325 |
+
return self.esm._embed(input_ids, attention_mask)
|
| 1326 |
+
|
| 1327 |
+
def forward(
|
| 1328 |
+
self,
|
| 1329 |
+
input_ids: Optional[torch.Tensor] = None,
|
| 1330 |
+
attention_mask: Optional[torch.Tensor] = None,
|
| 1331 |
+
type_ids: Optional[torch.Tensor] = None,
|
| 1332 |
+
inputs_embeds: Optional[torch.Tensor] = None,
|
| 1333 |
+
labels: Optional[torch.Tensor] = None,
|
| 1334 |
+
output_attentions: Optional[bool] = None,
|
| 1335 |
+
output_hidden_states: Optional[bool] = None,
|
| 1336 |
+
return_dict: Optional[bool] = None,
|
| 1337 |
+
**kwargs,
|
| 1338 |
+
) -> Union[Tuple[torch.Tensor], TokenClassifierOutput]:
|
| 1339 |
+
if type_ids is None and input_ids is not None:
|
| 1340 |
+
if attention_mask is None:
|
| 1341 |
+
attention_mask = input_ids.ne(self.config.pad_token_id)
|
| 1342 |
+
type_ids = _infer_modality_type(input_ids, attention_mask)
|
| 1343 |
+
|
| 1344 |
+
outputs = self.esm(
|
| 1345 |
+
input_ids=input_ids,
|
| 1346 |
+
attention_mask=attention_mask,
|
| 1347 |
+
type_ids=type_ids,
|
| 1348 |
+
inputs_embeds=inputs_embeds,
|
| 1349 |
+
output_attentions=output_attentions,
|
| 1350 |
+
output_hidden_states=output_hidden_states,
|
| 1351 |
+
return_dict=True,
|
| 1352 |
+
)
|
| 1353 |
+
sequence_output = self.dropout(outputs.last_hidden_state)
|
| 1354 |
+
logits = self.classifier(sequence_output)
|
| 1355 |
+
|
| 1356 |
+
loss = None
|
| 1357 |
+
if labels is not None:
|
| 1358 |
+
labels = labels.to(logits.device)
|
| 1359 |
+
loss = self.loss_fct(logits.view(-1, self.num_labels), labels.view(-1))
|
| 1360 |
+
|
| 1361 |
+
return TokenClassifierOutput(
|
| 1362 |
+
loss=loss,
|
| 1363 |
+
logits=logits,
|
| 1364 |
+
hidden_states=outputs.hidden_states,
|
| 1365 |
+
attentions=outputs.attentions,
|
| 1366 |
+
)
|