Search Results for author: Shuangli Li

Found 4 papers, 3 papers with code

GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction

1 code implementation24 Sep 2021 Shuangli Li, Jingbo Zhou, Tong Xu, Dejing Dou, Hui Xiong

Though graph contrastive learning (GCL) methods have achieved extraordinary performance with insufficient labeled data, most focused on designing data augmentation schemes for general graphs.

Contrastive Learning Data Augmentation +2

Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity

1 code implementation21 Jul 2021 Shuangli Li, Jingbo Zhou, Tong Xu, Liang Huang, Fan Wang, Haoyi Xiong, Weili Huang, Dejing Dou, Hui Xiong

To this end, we propose a structure-aware interactive graph neural network (SIGN) which consists of two components: polar-inspired graph attention layers (PGAL) and pairwise interactive pooling (PiPool).

Drug Discovery Graph Attention

Spatial Object Recommendation with Hints: When Spatial Granularity Matters

no code implementations8 Jan 2021 Hui Luo, Jingbo Zhou, Zhifeng Bao, Shuangli Li, J. Shane Culpepper, Haochao Ying, Hao liu, Hui Xiong

We design a novel multi-task learning model called MPR (short for Multi-level POI Recommendation), where each task aims to return the top-k POIs at a certain spatial granularity level.

Multi-Task Learning Representation Learning

Distance-aware Molecule Graph Attention Network for Drug-Target Binding Affinity Prediction

1 code implementation17 Dec 2020 Jingbo Zhou, Shuangli Li, Liang Huang, Haoyi Xiong, Fan Wang, Tong Xu, Hui Xiong, Dejing Dou

The hierarchical attentive aggregation can capture spatial dependencies among atoms, as well as fuse the position-enhanced information with the capability of discriminating multiple spatial relations among atoms.

Drug Discovery Graph Attention +1

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