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cs.LG2024
ProtScape: A molecular structure and energy-aware representation for protein conformation generation
Siddharth Viswanath, Dhananjay Bhaskar, Xingzhi Sun +13
Molecular dynamics (MD) simulations are a principled but computationally expensive approach for studying protein conformational variability, making it challenging to generate large…
stat.ML2024
Hyperedge Representations with Hypergraph Wavelets: Applications to Spatial Transcriptomics
Xingzhi Sun, Charles Xu, João F. Rocha +6
In many data-driven applications, higher-order relationships among multiple objects are essential in capturing complex interactions. Hypergraphs, which generalize graphs by allowin…