294 citations · 1.1k across the 67 of their papers we have counts for
32 papers · 1 filter
Deep Manifold Graph Auto-Encoder for Attributed Graph Embedding
Bozhen Hu, Zelin Zang, Jun Xia +3
Representing graph data in a low-dimensional space for subsequent tasks is the purpose of attributed graph embedding. Most existing neural network approaches learn latent represent…
Reinforcement Graph Clustering with Unknown Cluster Number
Yue Liu, Ke Liang, Jun Xia +5
Deep graph clustering, which aims to group nodes into disjoint clusters by neural networks in an unsupervised manner, has attracted great attention in recent years. Although the pe…
CONVERT:Contrastive Graph Clustering with Reliable Augmentation
Xihong Yang, Cheng Tan, Yue Liu +7
Contrastive graph node clustering via learnable data augmentation is a hot research spot in the field of unsupervised graph learning. The existing methods learn the sampling distri…
Why Deep Models Often cannot Beat Non-deep Counterparts on Molecular Property Prediction?
Jun Xia, Lecheng Zhang, Xiao Zhu +1
Molecular property prediction (MPP) is a crucial task in the drug discovery pipeline, which has recently gained considerable attention thanks to advances in deep neural networks. H…
Quantifying the Knowledge in GNNs for Reliable Distillation into MLPs
Lirong Wu, Haitao Lin, Yufei Huang +1
To bridge the gaps between topology-aware Graph Neural Networks (GNNs) and inference-efficient Multi-Layer Perceptron (MLPs), GLNN proposes to distill knowledge from a well-trained…
Extracting Low-/High- Frequency Knowledge from Graph Neural Networks and Injecting it into MLPs: An Effective GNN-to-MLP Distillation Framework
Lirong Wu, Haitao Lin, Yufei Huang +2
Recent years have witnessed the great success of Graph Neural Networks (GNNs) in handling graph-related tasks. However, MLPs remain the primary workhorse for practical industrial a…
Dink-Net: Neural Clustering on Large Graphs
Yue Liu, Ke Liang, Jun Xia +4
Deep graph clustering, which aims to group the nodes of a graph into disjoint clusters with deep neural networks, has achieved promising progress in recent years. However, the exis…
Towards Reasonable Budget Allocation in Untargeted Graph Structure Attacks via Gradient Debias
Zihan Liu, Yun Luo, Lirong Wu +2
It has become cognitive inertia to employ cross-entropy loss function in classification related tasks. In the untargeted attacks on graph structure, the gradients derived from the…
Data-Efficient Protein 3D Geometric Pretraining via Refinement of Diffused Protein Structure Decoy
Yufei Huang, Lirong Wu, Haitao Lin +3
Learning meaningful protein representation is important for a variety of biological downstream tasks such as structure-based drug design. Having witnessed the success of protein se…
Rethinking Explaining Graph Neural Networks via Non-parametric Subgraph Matching
Fang Wu, Siyuan Li, Xurui Jin +4
The success of graph neural networks (GNNs) provokes the question about explainability: ``Which fraction of the input graph is the most determinant of the prediction?'' Particularl…
A Survey on Protein Representation Learning: Retrospect and Prospect
Lirong Wu, Yufei Huang, Haitao Lin +1
Proteins are fundamental biological entities that play a key role in life activities. The amino acid sequences of proteins can be folded into stable 3D structures in the real physi…
Federated Learning for Inference at Anytime and Anywhere
Zicheng Liu, Da Li, Javier Fernandez-Marques +6
Federated learning has been predominantly concerned with collaborative training of deep networks from scratch, and especially the many challenges that arise, such as communication…
EVNet: An Explainable Deep Network for Dimension Reduction
Zelin Zang, Shenghui Cheng, Linyan Lu +7
Dimension reduction (DR) is commonly utilized to capture the intrinsic structure and transform high-dimensional data into low-dimensional space while retaining meaningful propertie…
Automated Graph Self-supervised Learning via Multi-teacher Knowledge Distillation
Lirong Wu, Yufei Huang, Haitao Lin +3
Self-supervised learning on graphs has recently achieved remarkable success in graph representation learning. With hundreds of self-supervised pretext tasks proposed over the past…
Teaching Yourself: Graph Self-Distillation on Neighborhood for Node Classification
Lirong Wu, Jun Xia, Haitao Lin +4
Recent years have witnessed great success in handling graph-related tasks with Graph Neural Networks (GNNs). Despite their great academic success, Multi-Layer Perceptrons (MLPs) re…
Exploring Generative Neural Temporal Point Process
Haitao Lin, Lirong Wu, Guojiang Zhao +2
Temporal point process (TPP) is commonly used to model the asynchronous event sequence featuring occurrence timestamps and revealed by probabilistic models conditioned on historica…
What Does the Gradient Tell When Attacking the Graph Structure
Zihan Liu, Ge Wang, Yun Luo +1
Recent research has revealed that Graph Neural Networks (GNNs) are susceptible to adversarial attacks targeting the graph structure. A malicious attacker can manipulate a limited n…
DLME: Deep Local-flatness Manifold Embedding
Zelin Zang, Siyuan Li, Di Wu +5
Manifold learning (ML) aims to seek low-dimensional embedding from high-dimensional data. The problem is challenging on real-world datasets, especially with under-sampling data, an…
CoSP: Co-supervised pretraining of pocket and ligand
Zhangyang Gao, Cheng Tan, Lirong Wu +1
Can we inject the pocket-ligand interaction knowledge into the pre-trained model and jointly learn their chemical space? Pretraining molecules and proteins has attracted considerab…
Hyperspherical Consistency Regularization
Cheng Tan, Zhangyang Gao, Lirong Wu +2
Recent advances in contrastive learning have enlightened diverse applications across various semi-supervised fields. Jointly training supervised learning and unsupervised learning…
STONet: A Neural-Operator-Driven Spatio-temporal Network
Haitao Lin, Guojiang Zhao, Lirong Wu +1
Graph-based spatio-temporal neural networks are effective to model the spatial dependency among discrete points sampled irregularly from unstructured grids, thanks to the great exp…
A Survey of Pretraining on Graphs: Taxonomy, Methods, and Applications
Jun Xia, Yanqiao Zhu, Yuanqi Du +1
Pretrained Language Models (PLMs) such as BERT have revolutionized the landscape of Natural Language Processing (NLP). Inspired by their proliferation, tremendous efforts have been…
SemiRetro: Semi-template framework boosts deep retrosynthesis prediction
Zhangyang Gao, Cheng Tan, Lirong Wu +1
Recently, template-based (TB) and template-free (TF) molecule graph learning methods have shown promising results to retrosynthesis. TB methods are more accurate using pre-encoded…
Target-aware Molecular Graph Generation
Cheng Tan, Zhangyang Gao, Stan Z. Li
Generating molecules with desired biological activities has attracted growing attention in drug discovery. Previous molecular generation models are designed as chemocentric methods…