70 citations · 197 across the 15 of their papers we have counts for
12 papers · 1 filter
Learning From Graph-Structured Data: Addressing Design Issues and Exploring Practical Applications in Graph Representation Learning
Chenqing Hua
Graphs serve as fundamental descriptors for systems composed of interacting elements, capturing a wide array of data types, from molecular interactions to social networks and knowl…
EnzymeFlow: Generating Reaction-specific Enzyme Catalytic Pockets through Flow Matching and Co-Evolutionary Dynamics
Chenqing Hua, Yong Liu, Dinghuai Zhang +6
Enzyme design is a critical area in biotechnology, with applications ranging from drug development to synthetic biology. Traditional methods for enzyme function prediction or prote…
ReactZyme: A Benchmark for Enzyme-Reaction Prediction
Chenqing Hua, Bozitao Zhong, Sitao Luan +4
Enzymes, with their specific catalyzed reactions, are necessary for all aspects of life, enabling diverse biological processes and adaptations. Predicting enzyme functions is essen…
Revealing the Pitfalls and Re-Evaluating the Advancement of Heterophilic Graph Learning
Sitao Luan, Qincheng Lu, Chenqing Hua +3
Over the past decade, Graph Neural Networks (GNNs) have achieved great success on machine learning tasks with relational data. However, recent studies have found that heterophily c…
The Heterophilic Graph Learning Handbook: Benchmarks, Models, Theoretical Analysis, Applications and Challenges
Sitao Luan, Chenqing Hua, Qincheng Lu +11
Homophily principle, \ie{} nodes with the same labels or similar attributes are more likely to be connected, has been commonly believed to be the main reason for the superiority of…
MUDiff: Unified Diffusion for Complete Molecule Generation
Chenqing Hua, Sitao Luan, Minkai Xu +4
Molecule generation is a very important practical problem, with uses in drug discovery and material design, and AI methods promise to provide useful solutions. However, existing me…
Complete the Missing Half: Augmenting Aggregation Filtering with Diversification for Graph Convolutional Neural Networks
Sitao Luan, Mingde Zhao, Chenqing Hua +2
The core operation of current Graph Neural Networks (GNNs) is the aggregation enabled by the graph Laplacian or message passing, which filters the neighborhood information of nodes…
Revisiting Heterophily For Graph Neural Networks
Sitao Luan, Chenqing Hua, Qincheng Lu +5
Graph Neural Networks (GNNs) extend basic Neural Networks (NNs) by using graph structures based on the relational inductive bias (homophily assumption). While GNNs have been common…
When Do We Need Graph Neural Networks for Node Classification?
Sitao Luan, Chenqing Hua, Qincheng Lu +3
Graph Neural Networks (GNNs) extend basic Neural Networks (NNs) by additionally making use of graph structure based on the relational inductive bias (edge bias), rather than treati…
High-Order Pooling for Graph Neural Networks with Tensor Decomposition
Chenqing Hua, Guillaume Rabusseau, Jian Tang
Graph Neural Networks (GNNs) are attracting growing attention due to their effectiveness and flexibility in modeling a variety of graph-structured data. Exiting GNN architectures u…
Is Heterophily A Real Nightmare For Graph Neural Networks To Do Node Classification?
Sitao Luan, Chenqing Hua, Qincheng Lu +5
Graph Neural Networks (GNNs) extend basic Neural Networks (NNs) by using the graph structures based on the relational inductive bias (homophily assumption). Though GNNs are believe…
Complete the Missing Half: Augmenting Aggregation Filtering with Diversification for Graph Convolutional Networks
Sitao Luan, Mingde Zhao, Chenqing Hua +2
The core operation of current Graph Neural Networks (GNNs) is the aggregation enabled by the graph Laplacian or message passing, which filters the neighborhood node information. Th…