3 papers
cs.LG2026
Periodic Topological Deep Learning for Polymer Design and Discovery
Yasharth Yadav, Tze Kwang Gerald Er, Atsushi Goto +1
Polymers underpin applications across energy, healthcare, and materials science, yet their vast chemical space makes systematic discovery challenging. Most machine learning approac…
q-bio.QM2025
Topology-enhanced machine learning model (Top-ML) for anticancer peptide prediction
Joshua Zhi En Tan, JunJie Wee, Xue Gong +1
Recently, therapeutic peptides have demonstrated great promise for cancer treatment. To explore powerful anticancer peptides, artificial intelligence (AI)-based approaches have bee…
math.AT2025
A cohomology-based Gromov-Hausdorff metric approach for quantifying molecular similarity
JunJie Wee, Xue Gong, Wilderich Tuschmann +1
We introduce, for the first time, a cohomology-based Gromov-Hausdorff ultrametric method to analyze 1-dimensional and higher-dimensional (co)homology groups, focusing on loops, voi…