DrugOOD: Out-of-Distribution Dataset Curator and Benchmark for AI-Aided Drug Discovery - a Focus on Affinity Prediction Problems with Noise Annotations.

[BibT_eX]

[DOI]

Yuanfeng Ji

Lu Zhang

Proceedings of the Thirty-Seventh AAAI Conference on Artificial Intelligence, 2023

MDM: Molecular Diffusion Model for 3D Molecule Generation.

[BibT_eX]

[DOI]

Proceedings of the Thirty-Seventh AAAI Conference on Artificial Intelligence, 2023

Handling Missing Data via Max-Entropy Regularized Graph Autoencoder.

[BibT_eX]

[DOI]

Proceedings of the Thirty-Seventh AAAI Conference on Artificial Intelligence, 2023

2022

Structure-aware conditional variational auto-encoder for constrained molecule optimization.

[BibT_eX]

[DOI]

Pattern Recognit., 2022

Blood-brain barrier penetration prediction enhanced by uncertainty estimation.

[BibT_eX]

[DOI]

J. Cheminformatics, 2022

Towards Complete-View and High-Level Pose-based Gait Recognition.

[BibT_eX]

[DOI]

CoRR, 2022

Similarity-aware Positive Instance Sampling for Graph Contrastive Pre-training.

[BibT_eX]

[DOI]

CoRR, 2022

Tyger: Task-Type-Generic Active Learning for Molecular Property Prediction.

[BibT_eX]

[DOI]

CoRR, 2022

A Survey of Trustworthy Graph Learning: Reliability, Explainability, and Privacy Protection.

[BibT_eX]

[DOI]

CoRR, 2022

GPN: A Joint Structural Learning Framework for Graph Neural Networks.

[BibT_eX]

[DOI]

CoRR, 2022

Hypergraph Convolutional Networks via Equivalency between Hypergraphs and Undirected Graphs.

[BibT_eX]

[DOI]

CoRR, 2022

Smoothing Matters: Momentum Transformer for Domain Adaptive Semantic Segmentation.

[BibT_eX]

[DOI]

CoRR, 2022

Learning Set Functions Under the Optimal Subset Oracle via Equivariant Variational Inference.

[BibT_eX]

[DOI]

CoRR, 2022

Equivariant Graph Hierarchy-Based Neural Networks.

[BibT_eX]

[DOI]

CoRR, 2022

Transformer for Graphs: An Overview from Architecture Perspective.

[BibT_eX]

[DOI]

CoRR, 2022

Geometrically Equivariant Graph Neural Networks: A Survey.

[BibT_eX]

[DOI]

CoRR, 2022

Masked Transformer for Neighhourhood-aware Click-Through Rate Prediction.

[BibT_eX]

[DOI]

CoRR, 2022

DrugOOD: Out-of-Distribution (OOD) Dataset Curator and Benchmark for AI-aided Drug Discovery - A Focus on Affinity Prediction Problems with Noise Annotations.

[BibT_eX]

[DOI]

CoRR, 2022

Multi-instance learning of graph neural networks for aqueous pKa prediction.

[BibT_eX]

[DOI]

Bioinform., 2022

Cross-dependent graph neural networks for molecular property prediction.

[BibT_eX]

[DOI]

Bioinform., 2022

Divide-and-Conquer: Post-User Interaction Network for Fake News Detection on Social Media.

[BibT_eX]

[DOI]

Proceedings of the WWW '22: The ACM Web Conference 2022, Virtual Event, Lyon, France, April 25, 2022

Diversified Multiscale Graph Learning with Graph Self-Correction.

[BibT_eX]

[DOI]

Proceedings of the Topological, 2022

Neighbour Interaction based Click-Through Rate Prediction via Graph-masked Transformer.

[BibT_eX]

[DOI]

Proceedings of the SIGIR '22: The 45th International ACM SIGIR Conference on Research and Development in Information Retrieval, Madrid, Spain, July 11, 2022

Learning Neural Set Functions Under the Optimal Subset Oracle.

[BibT_eX]

[DOI]

Proceedings of the Advances in Neural Information Processing Systems 35: Annual Conference on Neural Information Processing Systems 2022, 2022

Equivariant Graph Hierarchy-Based Neural Networks.

[BibT_eX]

[DOI]

Proceedings of the Advances in Neural Information Processing Systems 35: Annual Conference on Neural Information Processing Systems 2022, 2022

Jointly Modelling Uncertainty and Diversity for Active Molecular Property Prediction.

[BibT_eX]

[DOI]

Proceedings of the Learning on Graphs Conference, 2022

Local Augmentation for Graph Neural Networks.

[BibT_eX]

[DOI]

Proceedings of the International Conference on Machine Learning, 2022

Energy-Based Learning for Cooperative Games, with Applications to Valuation Problems in Machine Learning.

[BibT_eX]

[DOI]

Proceedings of the Tenth International Conference on Learning Representations, 2022

Equivariant Graph Mechanics Networks with Constraints.

[BibT_eX]

[DOI]

Proceedings of the Tenth International Conference on Learning Representations, 2022

2021

A Bisection Reinforcement Learning Approach to 3-D Indoor Localization.

[BibT_eX]

[DOI]

IEEE Internet Things J., 2021

Molecular graph enhanced transformer for retrosynthesis prediction.

[BibT_eX]

[DOI]

Neurocomputing, 2021

Towards the Explanation of Graph Neural Networks in Digital Pathology with Information Flows.

[BibT_eX]

[DOI]

Junchi Yu

Tingyang Xu

Ran He

CoRR, 2021

Local Augmentation for Graph Neural Networks.

[BibT_eX]

[DOI]

CoRR, 2021

PI-GNN: A Novel Perspective on Semi-Supervised Node Classification against Noisy Labels.

[BibT_eX]

[DOI]

CoRR, 2021

Energy-Based Learning for Cooperative Games, with Applications to Feature/Data/Model Valuations.

[BibT_eX]

[DOI]

CoRR, 2021

Diversified Multiscale Graph Learning with Graph Self-Correction.

[BibT_eX]

[DOI]

CoRR, 2021

Drug repurposing against breast cancer by integrating drug-exposure expression profiles and drug-drug links based on graph neural network.

[BibT_eX]

[DOI]

Bioinform., 2021

MolAICal: a soft tool for 3D drug design of protein targets by artificial intelligence and classical algorithm.

[BibT_eX]

[DOI]

Briefings Bioinform., 2021

Not All Low-Pass Filters are Robust in Graph Convolutional Networks.

[BibT_eX]

[DOI]

Proceedings of the Advances in Neural Information Processing Systems 34: Annual Conference on Neural Information Processing Systems 2021, 2021

On Self-Distilling Graph Neural Network.

[BibT_eX]

[DOI]

Proceedings of the Thirtieth International Joint Conference on Artificial Intelligence, 2021

Graph Information Bottleneck for Subgraph Recognition.

[BibT_eX]

[DOI]

Proceedings of the 9th International Conference on Learning Representations, 2021

Unsupervised Large-Scale Social Network Alignment via Cross Network Embedding.

[BibT_eX]

[DOI]

Proceedings of the CIKM '21: The 30th ACM International Conference on Information and Knowledge Management, Virtual Event, Queensland, Australia, November 1, 2021

Spectral Graph Attention Network with Fast Eigen-approximation.

[BibT_eX]

[DOI]

Proceedings of the CIKM '21: The 30th ACM International Conference on Information and Knowledge Management, Virtual Event, Queensland, Australia, November 1, 2021

2020

Hybrid-DCA: A double asynchronous approach for stochastic dual coordinate ascent.

[BibT_eX]

[DOI]

Soumitra Pal

Tingyang Xu

Tianbao Yang

Sanguthevar Rajasekaran

Jinbo Bi

J. Parallel Distributed Comput., 2020

Tackling Over-Smoothing for General Graph Convolutional Networks.

[BibT_eX]

[DOI]

CoRR, 2020

Inverse Graph Identification: Can We Identify Node Labels Given Graph Labels?

[BibT_eX]

[DOI]

CoRR, 2020

GROVER: Self-supervised Message Passing Transformer on Large-scale Molecular Data.

[BibT_eX]

[DOI]

CoRR, 2020

Dual Message Passing Neural Network for Molecular Property Prediction.

[BibT_eX]

[DOI]

CoRR, 2020

Spectral Graph Attention Network.

[BibT_eX]

[DOI]

CoRR, 2020

Graph Representation Learning via Graphical Mutual Information Maximization.

[BibT_eX]

[DOI]

Proceedings of the WWW '20: The Web Conference 2020, Taipei, Taiwan, April 20-24, 2020, 2020

Deep Multimodal Fusion by Channel Exchanging.

[BibT_eX]

[DOI]

Proceedings of the Advances in Neural Information Processing Systems 33: Annual Conference on Neural Information Processing Systems 2020, 2020

Self-Supervised Graph Transformer on Large-Scale Molecular Data.

[BibT_eX]

[DOI]

Proceedings of the Advances in Neural Information Processing Systems 33: Annual Conference on Neural Information Processing Systems 2020, 2020

Deep Graph Learning: Foundations, Advances and Applications.

[BibT_eX]

[DOI]

Proceedings of the KDD '20: The 26th ACM SIGKDD Conference on Knowledge Discovery and Data Mining, 2020

DropEdge: Towards Deep Graph Convolutional Networks on Node Classification.

[BibT_eX]

[DOI]

Proceedings of the 8th International Conference on Learning Representations, 2020

Re-balancing Variational Autoencoder Loss for Molecule Sequence Generation.

[BibT_eX]

[DOI]

Proceedings of the BCB '20: 11th ACM International Conference on Bioinformatics, 2020

A Restricted Black-Box Adversarial Framework Towards Attacking Graph Embedding Models.

[BibT_eX]

[DOI]

Proceedings of the Thirty-Fourth AAAI Conference on Artificial Intelligence, 2020

Rumor Detection on Social Media with Bi-Directional Graph Convolutional Networks.

[BibT_eX]

[DOI]

Proceedings of the Thirty-Fourth AAAI Conference on Artificial Intelligence, 2020

2019

The General Black-box Attack Method for Graph Neural Networks.

[BibT_eX]

[DOI]

CoRR, 2019

The Truly Deep Graph Convolutional Networks for Node Classification.

[BibT_eX]

[DOI]

CoRR, 2019

Unsupervised Adversarial Graph Alignment with Graph Embedding.

[BibT_eX]

[DOI]

CoRR, 2019

DTWNet: a Dynamic Time Warping Network.

[BibT_eX]

[DOI]

Sanguthevar Rajasekaran

Proceedings of the Advances in Neural Information Processing Systems 32: Annual Conference on Neural Information Processing Systems 2019, 2019

Progressive Feature Alignment for Unsupervised Domain Adaptation.

[BibT_eX]

[DOI]

Proceedings of the IEEE Conference on Computer Vision and Pattern Recognition, 2019

2018

Latent Sparse Modeling of Longitudinal Multi-Dimensional Data.

[BibT_eX]

[DOI]

Ko-Shin Chen

Tingyang Xu

Jinbo Bi

Proceedings of the Thirty-Second AAAI Conference on Artificial Intelligence, 2018

2017

Identifying and quantifying nonlinear structured relationships in complex manufactural systems.

[BibT_eX]

[DOI]

Proceedings of the 2017 IEEE International Conference on Big Data (IEEE BigData 2017), 2017

2015

Longitudinal LASSO: Jointly Learning Features and Temporal Contingency for Outcome Prediction.

[BibT_eX]

[DOI]

Tingyang Xu

Jiangwen Sun

Jinbo Bi

Proceedings of the 21th ACM SIGKDD International Conference on Knowledge Discovery and Data Mining, 2015

Multi-view Sparse Co-clustering via Proximal Alternating Linearized Minimization.

[BibT_eX]

[DOI]

Proceedings of the 32nd International Conference on Machine Learning, 2015

Quantifying feed efficiency of dairy cattle for genome-wide association analysis.

[BibT_eX]

[DOI]

Proceedings of the 2015 IEEE International Conference on Bioinformatics and Biomedicine, 2015

2014

Translating Effective Paper-Based Disease Management into Electronic Medical Systems.

[BibT_eX]

[DOI]

Tingyang Xu

Jinbo Bi

Michelle M. Cloutier

Proceedings of the 2014 IEEE International Conference on Healthcare Informatics, 2014

A sparse integrative cluster analysis for understanding soybean phenotypes.

[BibT_eX]

[DOI]

Proceedings of the 2014 IEEE International Conference on Bioinformatics and Biomedicine, 2014

Tingyang Xu

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