Papers
Communities
Events
Blog
Pricing
Search
Open menu
Home
Papers
1704.01212
Cited By
v1
v2 (latest)
Neural Message Passing for Quantum Chemistry
4 April 2017
Justin Gilmer
S. Schoenholz
Patrick F. Riley
Oriol Vinyals
George E. Dahl
Re-assign community
ArXiv (abs)
PDF
HTML
Papers citing
"Neural Message Passing for Quantum Chemistry"
50 / 3,254 papers shown
Title
A Survey of Deep Learning for Scientific Discovery
M. Raghu
Erica Schmidt
OOD
AI4CE
182
123
0
26 Mar 2020
Bridging the Gap Between Spectral and Spatial Domains in Graph Neural Networks
M. Balcilar
G. Renton
Pierre Héroux
Benoit Gaüzère
Sébastien Adam
P. Honeine
70
60
0
26 Mar 2020
End-to-End Entity Classification on Multimodal Knowledge Graphs
W. X. Wilcke
Peter Bloem
Victor de Boer
R. V. Veer
F. V. Harmelen
71
25
0
25 Mar 2020
ProGraML: Graph-based Deep Learning for Program Optimization and Analysis
Chris Cummins
Zacharias V. Fisches
Tal Ben-Nun
Torsten Hoefler
Hugh Leather
177
59
0
23 Mar 2020
Distilling Knowledge from Graph Convolutional Networks
Yiding Yang
Jiayan Qiu
Xiuming Zhang
Dacheng Tao
Xinchao Wang
239
233
0
23 Mar 2020
Probabilistic Dual Network Architecture Search on Graphs
Yiren Zhao
Duo Wang
Xitong Gao
Robert D. Mullins
Pietro Lio
M. Jamnik
GNN
AI4CE
108
27
0
21 Mar 2020
Scattering GCN: Overcoming Oversmoothness in Graph Convolutional Networks
Yimeng Min
Frederik Wenkel
Guy Wolf
GNN
151
114
0
18 Mar 2020
A Dynamic Reduction Network for Point Clouds
L. Gray
T. Klijnsma
Shamik Ghosh
3DPC
GNN
75
9
0
18 Mar 2020
A comprehensive study on the prediction reliability of graph neural networks for virtual screening
Soojung Yang
K. Lee
Seongok Ryu
61
7
0
17 Mar 2020
Collaborative Motion Prediction via Neural Motion Message Passing
Yue Hu
Siheng Chen
Ya Zhang
Xiao Gu
66
105
0
14 Mar 2020
Evaluating Logical Generalization in Graph Neural Networks
Koustuv Sinha
Shagun Sodhani
Joelle Pineau
William L. Hamilton
NAI
AI4CE
101
23
0
14 Mar 2020
Automating Botnet Detection with Graph Neural Networks
Jiawei Zhou
Zhiying Xu
Alexander M. Rush
Minlan Yu
GNN
64
73
0
13 Mar 2020
Adaptive Graph Convolutional Network with Attention Graph Clustering for Co-saliency Detection
Kaihua Zhang
Tengpeng Li
Shiwen Shen
Bo Liu
Jin Chen
Qingshan Liu
94
97
0
13 Mar 2020
Learning Algebraic Multigrid Using Graph Neural Networks
Ilay Luz
Meirav Galun
Haggai Maron
Ronen Basri
I. Yavneh
74
71
0
12 Mar 2020
Learning Diverse Fashion Collocation by Neural Graph Filtering
Xin Liu
Yongbin Sun
Ziwei Liu
Dahua Lin
99
26
0
11 Mar 2020
Hierarchical Human Parsing with Typed Part-Relation Reasoning
Wenguan Wang
Hailong Zhu
Jifeng Dai
Yanwei Pang
Jianbing Shen
Ling Shao
190
106
0
10 Mar 2020
A Survey on The Expressive Power of Graph Neural Networks
Ryoma Sato
396
173
0
09 Mar 2020
Reinforcement Learning for Combinatorial Optimization: A Survey
Nina Mazyavkina
S. Sviridov
Sergei Ivanov
Evgeny Burnaev
142
627
0
07 Mar 2020
Neural Operator: Graph Kernel Network for Partial Differential Equations
Zong-Yi Li
Nikola B. Kovachki
Kamyar Azizzadenesheli
Burigede Liu
K. Bhattacharya
Andrew M. Stuart
Anima Anandkumar
215
753
0
07 Mar 2020
Natural Language QA Approaches using Reasoning with External Knowledge
Chitta Baral
Pratyay Banerjee
Kuntal Kumar Pal
Arindam Mitra
LRM
51
5
0
06 Mar 2020
Teaching Temporal Logics to Neural Networks
Christopher Hahn
Frederik Schmitt
Jens U. Kreber
M. Rabe
Bernd Finkbeiner
NAI
109
67
0
06 Mar 2020
Directional Message Passing for Molecular Graphs
Johannes Klicpera
Janek Groß
Stephan Günnemann
151
881
0
06 Mar 2020
PushNet: Efficient and Adaptive Neural Message Passing
Julian Busch
Jiaxing Pi
T. Seidl
GNN
93
12
0
04 Mar 2020
Neural Enhanced Belief Propagation on Factor Graphs
Victor Garcia Satorras
Max Welling
151
96
0
04 Mar 2020
Benchmarking Graph Neural Networks
Vijay Prakash Dwivedi
Chaitanya K. Joshi
Anh Tuan Luu
T. Laurent
Yoshua Bengio
Xavier Bresson
639
957
0
02 Mar 2020
EvoNet: A Neural Network for Predicting the Evolution of Dynamic Graphs
Changmin Wu
Giannis Nikolentzos
Michalis Vazirgiannis
GNN
318
10
0
02 Mar 2020
Ego-based Entropy Measures for Structural Representations
George Dasoulas
Giannis Nikolentzos
Kevin Scaman
Aladin Virmaux
Michalis Vazirgiannis
48
4
0
01 Mar 2020
Differentiable Molecular Simulations for Control and Learning
Wujie Wang
Simon Axelrod
Rafael Gómez-Bombarelli
AI4CE
196
49
0
27 Feb 2020
Bridging the Gap between Spatial and Spectral Domains: A Survey on Graph Neural Networks
Zhiqian Chen
Fanglan Chen
Lei Zhang
Taoran Ji
Kaiqun Fu
Liang Zhao
Feng Chen
Lingfei Wu
Charu Aggarwal
Chang-Tien Lu
87
46
0
27 Feb 2020
Assessing Graph-based Deep Learning Models for Predicting Flash Point
Xiaoyu Sun
Nathaniel J. Krakauer
A. Politowicz
Wei-Ting Chen
Qiying Li
...
Xianjia Shao
Alfred Sunaryo
Mingren Shen
James Wang
D. Morgan
28
22
0
26 Feb 2020
Generalizing Convolutional Neural Networks for Equivariance to Lie Groups on Arbitrary Continuous Data
Marc Finzi
Samuel Stanton
Pavel Izmailov
A. Wilson
138
324
0
25 Feb 2020
Neural Message Passing on High Order Paths
Daniel Flam-Shepherd
Tony C Wu
Pascal Friederich
Alán Aspuru-Guzik
GNN
AI4CE
113
50
0
24 Feb 2020
Adaptive Propagation Graph Convolutional Network
Indro Spinelli
Simone Scardapane
A. Uncini
GNN
104
79
0
24 Feb 2020
Memory-Based Graph Networks
Amir Hosein Khas Ahmadi
Kaveh Hassani
Parsa Moradi
Leo Lee
Q. Morris
GNN
161
91
0
21 Feb 2020
Learning to Simulate Complex Physics with Graph Networks
Alvaro Sanchez-Gonzalez
Jonathan Godwin
Tobias Pfaff
Rex Ying
J. Leskovec
Peter W. Battaglia
PINN
AI4CE
152
1,107
0
21 Feb 2020
Set2Graph: Learning Graphs From Sets
Hadar Serviansky
Nimrod Segol
Jonathan Shlomi
Kyle Cranmer
Eilam Gross
Haggai Maron
Y. Lipman
PINN
GNN
142
35
0
20 Feb 2020
Detecting Code Clones with Graph Neural Networkand Flow-Augmented Abstract Syntax Tree
Wenhan Wang
Ge Li
Bo Ma
Xin Xia
Zhi Jin
GNN
68
260
0
20 Feb 2020
Molecule Attention Transformer
Lukasz Maziarka
Tomasz Danel
Slawomir Mucha
Krzysztof Rataj
Jacek Tabor
Stanislaw Jastrzebski
107
170
0
19 Feb 2020
Combining SchNet and SHARC: The SchNarc machine learning approach for excited-state dynamics
Julia Westermayr
M. Gastegger
P. Marquetand
AI4CE
65
131
0
17 Feb 2020
Relational Message Passing for Knowledge Graph Completion
Hongwei Wang
Hongyu Ren
J. Leskovec
86
120
0
17 Feb 2020
Generalization and Representational Limits of Graph Neural Networks
Vikas Garg
Stefanie Jegelka
Tommi Jaakkola
GNN
108
314
0
14 Feb 2020
Graph Deconvolutional Generation
Daniel Flam-Shepherd
Tony C Wu
Alán Aspuru-Guzik
BDL
152
31
0
14 Feb 2020
Geom-GCN: Geometric Graph Convolutional Networks
Hongbin Pei
Bingzhen Wei
Kevin Chen-Chuan Chang
Yu Lei
Bo Yang
GNN
349
1,132
0
13 Feb 2020
Graph Universal Adversarial Attacks: A Few Bad Actors Ruin Graph Learning Models
Xiao Zang
Yi Xie
Jie Chen
Bo Yuan
AAML
76
48
0
12 Feb 2020
Improving Molecular Design by Stochastic Iterative Target Augmentation
Kevin Kaichuang Yang
Wengong Jin
Kyle Swanson
Regina Barzilay
Tommi Jaakkola
102
26
0
11 Feb 2020
Differentiable Graph Module (DGM) for Graph Convolutional Networks
Anees Kazi
Luca Cosmo
Seyed-Ahmad Ahmadi
Nassir Navab
M. Bronstein
GNN
MedIm
91
133
0
11 Feb 2020
Can Graph Neural Networks Count Substructures?
Zhengdao Chen
Lei Chen
Soledad Villar
Joan Bruna
GNN
155
330
0
10 Feb 2020
A Deep Reinforcement Learning Algorithm Using Dynamic Attention Model for Vehicle Routing Problems
Bo Peng
Jiahai Wang
Zizhen Zhang
61
76
0
09 Feb 2020
Hierarchical Generation of Molecular Graphs using Structural Motifs
Wengong Jin
Regina Barzilay
Tommi Jaakkola
111
289
0
08 Feb 2020
Random Features Strengthen Graph Neural Networks
Ryoma Sato
M. Yamada
H. Kashima
GNN
AAML
81
240
0
08 Feb 2020
Previous
1
2
3
...
56
57
58
...
64
65
66
Next