mlsanityData to 14 Oct 2026

Transformers trained on proteins can learn to attend to Euclidean distance

arXiv 2502.01533 ↗First posted 3 Feb 2025cs.LG cs.AI q-bio.BMcited by 0

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Abstract (arXiv)

While conventional Transformers generally operate on sequence data, they can be used in conjunction with structure models, typically SE(3)-invariant or equivariant graph neural networks (GNNs), for 3D applications such as protein structure modelling. These hybrids typically involve either (1) preprocessing/tokenizing structural features as input for Transformers or (2) taking Transformer embeddings and processing them within a structural representation. However, there is evidence that Transformers can learn to process structural information on their own, such as the AlphaFold3 structural diffusion model. In this work we show that Transformers can function independently as structure models when passed linear embeddings of coordinates. We first provide a theoretical explanation for how Transformers can learn to filter attention as a 3D Gaussian with learned variance. We then validate this theory using both simulated 3D points and in the context of masked token prediction for proteins. Finally, we show that pre-training protein Transformer encoders with structure improves performance on a downstream task, yielding better performance than custom structural models. Together, this work provides a basis for using standard Transformers as hybrid structure-language models.

Key facts. No citing papers in the map yet (data through 14 Oct 2026). Builds on 19 of its 43 references that are in the map. First posted on arXiv 3 Feb 2025.

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19 of 43 references.

References · 19

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7 more
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  1. 2024Learning the Language of Protein Structure
  2. 2025ProteinAE: Protein Diffusion Autoencoders for Structure Encoding
  3. 2026Protein Language Models Diverge from Natural Language: Comparative Analysis and Improved Inference
  4. 2024FoldToken2: Learning compact, invariant and generative protein structure language
  5. 2023Accelerating Inference in Molecular Diffusion Models with Latent Representations of Protein Structure
  6. 2023Pre-Training Protein Encoder via Siamese Sequence-Structure Diffusion Trajectory Prediction
  7. 2025Discriminative protein sequence modelling with Latent Space Diffusion
  8. 2025Protein generation with embedding learning for motif diversification