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A Practical Guide to Phylogenetics for Nonexperts
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Protein sequence modelling with Bayesian flow networks.

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  • 1InstaDeep, 5 Merchant Square, London, W2 1AY, England.

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|April 3, 2025
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Summary
This summary is machine-generated.

Bayesian Flow Networks (BFNs) enable advanced protein sequence generation. Our ProtBFN model creates diverse, natural-like protein sequences, outperforming existing methods in both unconditional and conditional tasks.

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Area of Science:

  • Computational biology
  • Protein engineering
  • Machine learning

Background:

  • Generative machine learning has advanced protein sequence modeling.
  • Existing models struggle with both unconditional and conditional generation.
  • Bayesian Flow Networks (BFNs) offer a novel framework for generative modeling.

Purpose of the Study:

  • To introduce Bayesian Flow Networks (BFNs) for protein sequence generation.
  • To develop and evaluate ProtBFN, a large-scale BFN model for protein sequences.
  • To assess the capability of BFNs in conditional generation for antibody design.

Main Methods:

  • Developed ProtBFN, a 650M parameter model based on Bayesian Flow Networks.
  • Trained ProtBFN on protein sequences from UniProtKB.
  • Fine-tuned ProtBFN on antibody heavy chains to create AbBFN for conditional generation tasks.

Main Results:

  • ProtBFN generates natural-like, diverse, structurally coherent, and novel protein sequences.
  • ProtBFN significantly outperforms leading autoregressive and discrete diffusion models.
  • The antibody-specific model, AbBFN, demonstrates competitive or superior zero-shot conditional generation compared to BERT-style models.

Conclusions:

  • Bayesian Flow Networks are highly effective for protein sequence generation.
  • ProtBFN represents a significant advancement in generative protein modeling.
  • BFNs show promise for specialized applications like antibody engineering and therapeutic protein design.