24 citations · 34 across the 2 of their papers we have counts for
4 papers
3DLinker: An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
Yinan Huang, Xingang Peng, Jianzhu Ma +1
Deep learning has achieved tremendous success in designing novel chemical compounds with desirable pharmaceutical properties. In this work, we focus on a new type of drug design pr…
Principled Hyperedge Prediction with Structural Spectral Features and Neural Networks
Changlin Wan, Muhan Zhang, Wei Hao +3
Hypergraph offers a framework to depict the multilateral relationships in real-world complex data. Predicting higher-order relationships, i.e hyperedge, becomes a fundamental probl…
D-VAE: A Variational Autoencoder for Directed Acyclic Graphs
Muhan Zhang, Shali Jiang, Zhicheng Cui +2
Graph structured data are abundant in the real world. Among different graph types, directed acyclic graphs (DAGs) are of particular interest to machine learning researchers, as man…
Link Prediction Based on Graph Neural Networks
Muhan Zhang, Yixin Chen
Link prediction is a key problem for network-structured data. Link prediction heuristics use some score functions, such as common neighbors and Katz index, to measure the likelihoo…