AI for learning mathematical structure
Using neural networks to learn topology and geometry directly from data.
Using neural networks to learn topology and geometry directly from data.
Opening up trained models to find features and circuits.

An automated method for annotating sparse-autoencoder features in ESM-2 using geometric descriptors of the protein backbone, revealing residue-level structure that database and sequence labels miss.

Neural networks trained on molecular dynamics knot data can exploit hidden non-topological features instead of topology. We expose these shortcuts and release a dataset and generator that explore geometric state space at fixed knot type.

A feedforward network trained on the writhe density matrix classifies thermally equilibrated configurations of the first six prime two-component links with 97% accuracy, robustly across temperatures and chain lengths.
† first or joint first author