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Flaky Performances when Pretraining on Relational Databases


Nov 09, 2022
Shengchao Liu, David Vazquez, Jian Tang, Pierre-André Noël

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Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching


Jun 27, 2022
Shengchao Liu, Hongyu Guo, Jian Tang

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Evaluating Self-Supervised Learning for Molecular Graph Embeddings


Jun 16, 2022
Hanchen Wang, Jean Kaddour, Shengchao Liu, Jian Tang, Matt Kusner, Joan Lasenby, Qi Liu

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Augmenting Message Passing by Retrieving Similar Graphs


Jun 01, 2022
Dingmin Wang, Shengchao Liu, Hanchen Wang, Linfeng Song, Jian Tang, Song Le, Bernardo Cuenca Grau, Qi Liu

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MolGenSurvey: A Systematic Survey in Machine Learning Models for Molecule Design


Mar 28, 2022
Yuanqi Du, Tianfan Fu, Jimeng Sun, Shengchao Liu

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* 20 pages 

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Structured Multi-task Learning for Molecular Property Prediction


Feb 22, 2022
Shengchao Liu, Meng Qu, Zuobai Zhang, Huiyu Cai, Jian Tang

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TorchDrug: A Powerful and Flexible Machine Learning Platform for Drug Discovery


Feb 16, 2022
Zhaocheng Zhu, Chence Shi, Zuobai Zhang, Shengchao Liu, Minghao Xu, Xinyu Yuan, Yangtian Zhang, Junkun Chen, Huiyu Cai, Jiarui Lu, Chang Ma, Runcheng Liu, Louis-Pascal Xhonneux, Meng Qu, Jian Tang

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Pre-training Molecular Graph Representation with 3D Geometry


Oct 07, 2021
Shengchao Liu, Hanchen Wang, Weiyang Liu, Joan Lasenby, Hongyu Guo, Jian Tang

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An Analysis of Attentive Walk-Aggregating Graph Neural Networks


Oct 06, 2021
Mehmet F. Demirel, Shengchao Liu, Siddhant Garg, Yingyu Liang

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* Preprint (36 Pages) 

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BERT4SO: Neural Sentence Ordering by Fine-tuning BERT


Apr 13, 2021
Yutao Zhu, Jian-Yun Nie, Kun Zhou, Shengchao Liu, Yabo Ling, Pan Du

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