4 papers
Beyond Pairwise Interactions: Equivariant Hypergraph Diffusion for Crystal Structure Prediction
Yang Liu, Chuan Zhou, Shuai Zhang +5
Crystal Structure Prediction (CSP) remains a fundamental challenge with significant implications for materials discovery and the advancement of various scientific disciplines. Rece…
MoG: Mixture of Experts for Graph-based Retrieval-Augmented Generation
Zheng Yuan, Chuang Zhou, Linhao Luo +4
Retrieval-augmented generation is intensively studied to ground large language models on external evidence. However, retrieving from a unified knowledge base could inevitably intro…
AbstainGNN: Teaching Graph Neural Networks to Abstain for Graph Classification
Xixun Lin, Zhiheng Zhou, Zhengyin Zhang +9
Graph classification is a core task in graph data mining with widespread real-world applications. Recent advances in graph neural networks (GNNs) have led to substantial performanc…
Correcting False Alarms from Unseen: Adapting Graph Anomaly Detectors at Test Time
Junjun Pan, Yixin Liu, Chuan Zhou +3
Graph anomaly detection (GAD), which aims to detect outliers in graph-structured data, has received increasing research attention recently. However, existing GAD methods assume ide…