38 citations · 199 across the 44 of their papers we have counts for
5 papers · 1 filter
TopoLIA: Topology-Inspired Latent Interaction Attention for Drug Discovery
Xiang Liu, Yiming Ren, Mustafa Hajij +2
The growing sophistication of drug discovery calls for new advances in artificial intelligence (AI). Transformers have underpinned recent breakthroughs in AI, yet their conventiona…
Mathematical Invariant-Enabled Topological Neural Networks for Molecular and Materials Property Prediction
Yiming Ren, Xiang Liu, Mustafa Hajij +2
Existing molecular and materials learning approaches often rely on a limited set of structural representations, which may capture only selected aspects of complex three-dimensional…
TopoEmbedX: A General Framework for Representation Learning on Topological Domains
Florian Frantzen, Ibrahem AlJabea, Ines Henriques-Cadby +3
Topological structures such as simplicial complexes, hypergraphs, and cell complexes extend standard graph models by modeling higher-order relationships. These structures appear in…
Topological Neural Operators
Lennart Bastian, Samuel Leventhal, Mustafa Hajij +1
We introduce Topological Neural Operators (TNOs), a principled framework for operator learning on cell complexes that lifts neural operators (NOs) from functions on points and/or e…
TopoU-Net: a U-Net architecture for topological domains
Gaurav Gaurav, Ibrahem ALJabea, Yaroslav Zakomornyy +4
Many modern datasets mix points, edges, regions, groups, objects, events, hyperedges, and relations. Yet neural architectures often force such data into grids, graphs, or sequences…