1 code implementation • 4 May 2024 • Zexing Zhao, Guangsi Shi, Xiaopeng Wu, Ruohua Ren, Xiaojun Gao, Fuyi Li
Molecular property prediction is a key component of AI-driven drug discovery and molecular characterization learning.
no code implementations • NeurIPS 2023 • Yixin Liu, Kaize Ding, Qinghua Lu, Fuyi Li, Leo Yu Zhang, Shirui Pan
In this paper, we investigate a new challenging problem, explainable GLAD, where the learning objective is to predict the abnormality of each graph sample with corresponding explanations, i. e., the vital subgraph that leads to the predictions.