649 citations · 2.1k across the 52 of their papers we have counts for
30 papers · 1 filter
InversionGNN: A Dual Path Network for Multi-Property Molecular Optimization
Yifan Niu, Ziqi Gao, Tingyang Xu +5
Exploring chemical space to find novel molecules that simultaneously satisfy multiple properties is crucial in drug discovery. However, existing methods often struggle with trading…
Structure-Aware DropEdge Towards Deep Graph Convolutional Networks
Jiaqi Han, Wenbing Huang, Yu Rong +3
It has been discovered that Graph Convolutional Networks (GCNs) encounter a remarkable drop in performance when multiple layers are piled up. The main factor that accounts for why…
Decision Support System for Chronic Diseases Based on Drug-Drug Interactions
Tian Bian, Yuli Jiang, Jia Li +6
Many patients with chronic diseases resort to multiple medications to relieve various symptoms, which raises concerns about the safety of multiple medication use, as severe drug-dr…
Human Mobility Modeling During the COVID-19 Pandemic via Deep Graph Diffusion Infomax
Yang Liu, Yu Rong, Zhuoning Guo +4
Non-Pharmaceutical Interventions (NPIs), such as social gathering restrictions, have shown effectiveness to slow the transmission of COVID-19 by reducing the contact of people. To…
Similarity-aware Positive Instance Sampling for Graph Contrastive Pre-training
Xueyi Liu, Yu Rong, Tingyang Xu +3
Graph instance contrastive learning has been proved as an effective task for Graph Neural Network (GNN) pre-training. However, one key issue may seriously impede the representative…
A Survey of Trustworthy Graph Learning: Reliability, Explainability, and Privacy Protection
Bingzhe Wu, Jintang Li, Junchi Yu +17
Deep graph learning has achieved remarkable progresses in both business and scientific areas ranging from finance and e-commerce, to drug and advanced material discovery. Despite t…
Fine-Tuning Graph Neural Networks via Graph Topology induced Optimal Transport
Jiying Zhang, Xi Xiao, Long-Kai Huang +2
Recently, the pretrain-finetuning paradigm has attracted tons of attention in graph learning community due to its power of alleviating the lack of labels problem in many real-world…
Equivariant Graph Mechanics Networks with Constraints
Wenbing Huang, Jiaqi Han, Yu Rong +3
Learning to reason about relations and dynamics over multiple interacting objects is a challenging topic in machine learning. The challenges mainly stem from that the interacting s…
Hypergraph Convolutional Networks via Equivalency between Hypergraphs and Undirected Graphs
Jiying Zhang, Fuyang Li, Xi Xiao +4
As a powerful tool for modeling complex relationships, hypergraphs are gaining popularity from the graph learning community. However, commonly used frameworks in deep hypergraph le…
Geometrically Equivariant Graph Neural Networks: A Survey
Jiaqi Han, Yu Rong, Tingyang Xu +1
Many scientific problems require to process data in the form of geometric graphs. Unlike generic graph data, geometric graphs exhibit symmetries of translations, rotations, and/or…
Transformer for Graphs: An Overview from Architecture Perspective
Erxue Min, Runfa Chen, Yatao Bian +7
Recently, Transformer model, which has achieved great success in many artificial intelligence fields, has demonstrated its great potential in modeling graph-structured data. Till n…
Equivariant Graph Hierarchy-Based Neural Networks
Jiaqi Han, Wenbing Huang, Tingyang Xu +1
Equivariant Graph neural Networks (EGNs) are powerful in characterizing the dynamics of multi-body physical systems. Existing EGNs conduct flat message passing, which, yet, is unab…
Local Augmentation for Graph Neural Networks
Songtao Liu, Rex Ying, Hanze Dong +6
Graph Neural Networks (GNNs) have achieved remarkable performance on graph-based tasks. The key idea for GNNs is to obtain informative representation through aggregating informatio…
Frustratingly Easy Transferability Estimation
Long-Kai Huang, Ying Wei, Yu Rong +2
Transferability estimation has been an essential tool in selecting a pre-trained model and the layers in it for transfer learning, to transfer, so as to maximize the performance on…
Noise-robust Graph Learning by Estimating and Leveraging Pairwise Interactions
Xuefeng Du, Tian Bian, Yu Rong +6
Teaching Graph Neural Networks (GNNs) to accurately classify nodes under severely noisy labels is an important problem in real-world graph learning applications, but is currently u…
Energy-Based Learning for Cooperative Games, with Applications to Valuation Problems in Machine Learning
Yatao Bian, Yu Rong, Tingyang Xu +3
Valuation problems, such as feature interpretation, data valuation and model valuation for ensembles, become increasingly more important in many machine learning applications. Such…
Adversarial Attack Framework on Graph Embedding Models with Limited Knowledge
Heng Chang, Yu Rong, Tingyang Xu +6
With the success of the graph embedding model in both academic and industry areas, the robustness of graph embedding against adversarial attack inevitably becomes a crucial problem…
Recognizing Predictive Substructures with Subgraph Information Bottleneck
Junchi Yu, Tingyang Xu, Yu Rong +3
The emergence of Graph Convolutional Network (GCN) has greatly boosted the progress of graph learning. However, two disturbing factors, noise and redundancy in graph data, and lack…
Diversified Multiscale Graph Learning with Graph Self-Correction
Yuzhao Chen, Yatao Bian, Jiying Zhang +4
Though the multiscale graph learning techniques have enabled advanced feature extraction frameworks, the classic ensemble strategy may show inferior performance while encountering…
Learning Diverse-Structured Networks for Adversarial Robustness
Xuefeng Du, Jingfeng Zhang, Bo Han +5
In adversarial training (AT), the main focus has been the objective and optimizer while the model has been less studied, so that the models being used are still those classic ones…
Hierarchical Graph Capsule Network
Jinyu Yang, Peilin Zhao, Yu Rong +4
Graph Neural Networks (GNNs) draw their strength from explicitly modeling the topological information of structured data. However, existing GNNs suffer from limited capability in c…
Dirichlet Graph Variational Autoencoder
Jia Li, Tomasyu Yu, Jiajin Li +5
Graph Neural Networks (GNNs) and Variational Autoencoders (VAEs) have been widely used in modeling and generating graphs with latent factors. However, there is no clear explanation…
On Self-Distilling Graph Neural Network
Yuzhao Chen, Yatao Bian, Xi Xiao +3
Recently, the teacher-student knowledge distillation framework has demonstrated its potential in training Graph Neural Networks (GNNs). However, due to the difficulty of training o…
Graph Information Bottleneck for Subgraph Recognition
Junchi Yu, Tingyang Xu, Yu Rong +3
Given the input graph and its label/property, several key problems of graph learning, such as finding interpretable subgraphs, graph denoising and graph compression, can be attribu…