4 papers
LexiCan: Lexicographic Canonicalization of Point Clouds for Machine Learning Applications
Daniel Sanchez, Djordje Mihajlovic, Federica Valeau +4
Canonicalization resolves the rotational and permutation ambiguity of 3D point clouds by selecting a unique orbit representative, maintaining their geometric information while allo…
Interpreting Latent Protein Language Model Features with Geometric Annotations
Siddharth Setlur, Djordje Mihajlovic, Darrick Lee
Protein language models (pLMs) encode information about protein sequences which enable downstream tasks such as structure prediction, but their internal representations are not wel…
Writhe-Based Polymer Link Classification Using Machine Learning
Jack Beda, Djordje Mihajlovic, Kasturi Barkataki +1
Unique and rapid classification of knots and links is an open mathematical problem that is relevant to a range of (bio)physical systems, including polymer melts, DNA, and proteins.…
Shortcut learning in geometric knot classification
Djordje Mihajlovic, Davide Michieletto
Classifying the topology of closed curves is a central problem in low dimensional topology with applications beyond mathematics spanning protein folding, polymer physics and even m…