mlsanityData to 14 Oct 2026

Probing and steering biology across Boltz-1s trunk-diffusion boundary

arXiv 2608.11475 ↗First posted 11 Aug 2026q-bio.QM cs.LGcited by 1

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Abstract (arXiv)

AlphaFold3-class structure predictors pair a representational trunk, which processes sequence and context, with a diffusion module, which generates atomic coordinates. How biological information changes as it crosses this architectural boundary remains poorly understood. We analyze per-residue activations from the Pairformer trunk and diffusion module of Boltz-1 using linear probes, sparse autoencoders (SAEs), and causal interventions. From the trunk, both geometry (secondary structure, disorder) and sequence chemistry (amino-acid identity, signal peptides, disulfide-bond annotations) are linearly decodable. In the diffusion module, the two diverge. Secondary structure transfers essentially unchanged, whereas sequence chemistry is strongly attenuated. We then test whether decodable directions can steer the model, intervening on the final trunk single representation that conditions the diffusion module. Helix and coil directions change predicted structure dose-dependently against matched-norm random controls, but a beta-strand direction that is highly predictive (F1 =0.82) produces no measurable increase in strand content: linear decodability does not imply causal influence at the site we tested. The same probes also score markedly lower against sparse SwissProt annotations than against dense DSSP labels, because unannotated residues that the model gets right are charged as false positives; such scores are therefore lower bounds. Finally, supervised probes outscore single SAE features wherever a label already exists. We release the trained trunk and diffusion SAEs, Boltz-1 per-residue activations, and the analysis code.

Key facts. Cited by 1 paper in the map (data through 14 Oct 2026). Builds on 3 of its 9 references that are in the map. First posted on arXiv 11 Aug 2026.

Builds on

3 of 9 references.

References · 3

  1. 2024InterPLM: Discovering Interpretable Features in Protein Language Models via Sparse Autoencoderscited by 66
  2. 2026Stable and Steerable Sparse Autoencoders with Weight Regularizationcited by 5
  3. 2026Two Stages of Folding: Convergent Mechanisms in AI Protein Folding Trunkscited by 2

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Citing papers per year: 2026: 1.

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  1. 2026CrystalBoltz: End-to-End Protein Structure Determination via Experiment-Guided Diffusion for X-Ray Crystallography
  2. 2025Unlocking hidden biomolecular conformational landscapes in diffusion models at inference time
  3. 2026Robust Inference-Time Steering of Protein Diffusion Models via Embedding Optimization
  4. 2026Co-folding model guided by structural proteomics
  5. 2026Inference-Time Projection for Physically Valid Biomolecular Diffusion Models
  6. 2023EigenFold: Generative Protein Structure Prediction with Diffusion Models
  7. 2026A Systematic Evaluation of Co-folding Model Representations for Small-Molecule Learning
  8. 2026PairSAE: Mechanistic Interpretability from Pair Representations in Protein Co-Folding