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20132026
most citedSelf-Supervised Graph Transformer on Large-Scale Molecular Data

419 citations · 932 across the 46 of their papers we have counts for

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Showing 2020Show all

6 papers · 1 filter

cs.LG2020★ 3 cited

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…

cs.LG2020★ 3 cited

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…

q-bio.BM2020★ 419 cited

Self-Supervised Graph Transformer on Large-Scale Molecular Data

Yu Rong, Yatao Bian, Tingyang Xu +4

How to obtain informative representations of molecules is a crucial prerequisite in AI-driven drug design and discovery. Recent researches abstract molecules as graphs and employ G…

cs.LG2020

Continuous Submodular Function Maximization

Yatao Bian, Joachim M. Buhmann, Andreas Krause

Continuous submodular functions are a category of generally non-convex/non-concave functions with a wide spectrum of applications. The celebrated property of this class of function…

q-bio.QM2020★ 35 cited

Multi-View Graph Neural Networks for Molecular Property Prediction

Hehuan Ma, Yatao Bian, Yu Rong +5

The crux of molecular property prediction is to generate meaningful representations of the molecules. One promising route is to exploit the molecular graph structure through Graph…

cs.LG2020

From Sets to Multisets: Provable Variational Inference for Probabilistic Integer Submodular Models

Aytunc Sahin, Yatao Bian, Joachim M. Buhmann +1

Submodular functions have been studied extensively in machine learning and data mining. In particular, the optimization of submodular functions over the integer lattice (integer su…