Neural Message Passing for Quantum Chemistry

4 April 2017

Justin Gilmer

Papers citing "Neural Message Passing for Quantum Chemistry"

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Title
AutoAugment: Learning Augmentation Policies from Data E. D. Cubuk Barret Zoph Dandelion Mané Vijay Vasudevan Quoc V. Le 40 1,754 0 24 May 2018
A Generative Model For Electron Paths John Bradshaw Matt J. Kusner Brooks Paige Marwin H. S. Segler José Miguel Hernández-Lobato 14 55 0 23 May 2018
Constrained Graph Variational Autoencoders for Molecule Design Qi Liu Miltiadis Allamanis Marc Brockschmidt Alexander L. Gaunt BDL 6 449 0 23 May 2018
Generative Code Modeling with Graphs Marc Brockschmidt Miltiadis Allamanis Alexander L. Gaunt Oleksandr Polozov 32 178 0 22 May 2018
Graph Capsule Convolutional Neural Networks Saurabh Verma Zhi-Li Zhang GNN 30 128 0 21 May 2018
Adversarial Attacks on Neural Networks for Graph Data Daniel Zügner Amir Akbarnejad Stephan Günnemann GNN AAML OOD 20 1,053 0 21 May 2018
Learning Graph-Level Representations with Recurrent Neural Networks Yu Jin J. JáJá GNN SSL 33 13 0 20 May 2018
Enhancing Drug-Drug Interaction Extraction from Texts by Molecular Structure Information Masaki Asada Makoto Miwa Yutaka Sasaki 14 44 0 15 May 2018
Graph Neural Networks for Learning Robot Team Coordination Amanda Prorok GNN 40 12 0 09 May 2018
Towards a Spectrum of Graph Convolutional Networks Mathias Niepert Alberto García-Durán GNN 17 1 0 04 May 2018
Solid Harmonic Wavelet Scattering for Predictions of Molecule Properties Michael Eickenberg Georgios Exarchakis M. Hirn S. Mallat L. Thiry 14 69 0 01 May 2018
Conditional molecular design with deep generative models Seokho Kang Kyunghyun Cho BDL 159 183 0 30 Apr 2018
Exploiting Semantics in Neural Machine Translation with Graph Convolutional Networks Diego Marcheggiani Jasmijn Bastings Ivan Titov GNN NAI 14 184 0 23 Apr 2018
Attentional Multilabel Learning over Graphs: A Message Passing Approach Kien Do T. Tran Thin Nguyen Svetha Venkatesh 21 17 0 01 Apr 2018
Graph Convolutional Neural Networks via Scattering Dongmian Zou Gilad Lerman GNN 15 120 0 31 Mar 2018
Graphite: Iterative Generative Modeling of Graphs Aditya Grover Aaron Zweig Stefano Ermon BDL 16 296 0 28 Mar 2018
Referring Relationships Ranjay Krishna Ines Chami Michael S. Bernstein Li Fei-Fei 22 94 0 28 Mar 2018
Inference in Probabilistic Graphical Models by Graph Neural Networks Kijung Yoon Renjie Liao Yuwen Xiong Lisa Zhang Ethan Fetaya R. Urtasun R. Zemel Xaq Pitkow TPM 23 99 0 21 Mar 2018
Graph Partition Neural Networks for Semi-Supervised Classification Renjie Liao Marc Brockschmidt Daniel Tarlow Alexander L. Gaunt R. Urtasun R. Zemel GNN 22 76 0 16 Mar 2018
PotentialNet for Molecular Property Prediction Evan N. Feinberg Debnil Sur Zhenqin Wu B. Husic Huanghao Mai Yang Li Saisai Sun Jianyi Yang Bharath Ramsundar Vijay S. Pande 21 357 0 12 Mar 2018
Attention-based Graph Neural Network for Semi-supervised Learning K. K. Thekumparampil Chong-Jun Wang Sewoong Oh Li-Jia Li GNN 29 331 0 10 Mar 2018
Learning Deep Generative Models of Graphs Yujia Li Oriol Vinyals Chris Dyer Razvan Pascanu Peter W. Battaglia GNN AI4CE 29 654 0 08 Mar 2018
N-body Networks: a Covariant Hierarchical Neural Network Architecture for Learning Atomic Potentials Risi Kondor AI4CE 30 106 0 05 Mar 2018
Convolutional Geometric Matrix Completion Kai-Lang Yao Wu-Jun Li Jianbo Yang Xinyan Lu GNN 10 8 0 02 Mar 2018
Relational Neural Expectation Maximization: Unsupervised Discovery of Objects and their Interactions Sjoerd van Steenkiste Michael Chang Klaus Greff Jürgen Schmidhuber BDL OCL DRL 34 290 0 28 Feb 2018
Matching Convolutional Neural Networks without Priors about Data Carlos Lassance Jean-Charles Vialatte Vincent Gripon GNN MedIm 27 6 0 27 Feb 2018
Link Prediction Based on Graph Neural Networks Muhan Zhang Yixin Chen GNN 17 1,897 0 27 Feb 2018
Tensor field networks: Rotation- and translation-equivariant neural networks for 3D point clouds Nathaniel Thomas Tess E. Smidt S. Kearnes Lusann Yang Li Li Kai Kohlhoff Patrick F. Riley 3DPC 22 941 0 22 Feb 2018
Machine Learning Methods for Data Association in Multi-Object Tracking Patrick Emami P. Pardalos L. Elefteriadou Sanjay Ranka VOT 27 40 0 19 Feb 2018
Semi-Supervised Learning on Graphs Based on Local Label Distributions Evgheniy Faerman Felix Borutta Julian Busch Matthias Schubert 33 7 0 15 Feb 2018
Mapping Images to Scene Graphs with Permutation-Invariant Structured Prediction Roei Herzig Moshiko Raboh Gal Chechik Jonathan Berant Amir Globerson GNN OCL 24 133 0 15 Feb 2018
From Gameplay to Symbolic Reasoning: Learning SAT Solver Heuristics in the Style of Alpha(Go) Zero Fei Wang Tiark Rompf NAI 16 6 0 14 Feb 2018
Graph2Seq: Scalable Learning Dynamics for Graphs S. Venkatakrishnan Mohammad Alizadeh Pramod Viswanath GNN 28 12 0 14 Feb 2018
Edge Attention-based Multi-Relational Graph Convolutional Networks Chao Shang Qinqing Liu Ko-Shin Chen Jiangwen Sun Jin Lu Jinfeng Yi J. Bi GNN 32 93 0 14 Feb 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 224 1,340 0 12 Feb 2018
On the Generalization of Equivariance and Convolution in Neural Networks to the Action of Compact Groups Risi Kondor Shubhendu Trivedi MLT 45 487 0 11 Feb 2018
Learning a SAT Solver from Single-Bit Supervision Daniel Selsam Matthew Lamm Benedikt Bünz Percy Liang L. D. Moura D. Dill NAI 12 416 0 11 Feb 2018
GraphVAE: Towards Generation of Small Graphs Using Variational Autoencoders M. Simonovsky N. Komodakis GNN BDL 24 833 0 09 Feb 2018
Modeling polypharmacy side effects with graph convolutional networks Marinka Zitnik Monica Agrawal J. Leskovec GNN 10 1,059 0 02 Feb 2018
FastGCN: Fast Learning with Graph Convolutional Networks via Importance Sampling Jie Chen Tengfei Ma Cao Xiao GNN 21 1,504 0 30 Jan 2018
Dynamic Graph CNN for Learning on Point Clouds Yue Wang Yongbin Sun Ziwei Liu Sanjay E. Sarma M. Bronstein Justin Solomon GNN 3DPC 78 6,031 0 24 Jan 2018
Graph Memory Networks for Molecular Activity Prediction Trang Pham T. Tran Svetha Venkatesh GNN 26 30 0 08 Jan 2018
Covariant Compositional Networks For Learning Graphs Risi Kondor H. Son Horace Pan Brandon M. Anderson Shubhendu Trivedi GNN 33 165 0 07 Jan 2018
Improving Malware Detection Accuracy by Extracting Icon Information Pedro Silva Sepehr Akhavan Masouleh Li Li 11 4 0 10 Dec 2017
Semi-supervised learning of hierarchical representations of molecules using neural message passing Hai V. Nguyen S. Maeda Kenta Oono 21 13 0 28 Nov 2017
Large-scale Point Cloud Semantic Segmentation with Superpoint Graphs Loic Landrieu M. Simonovsky GNN 3DPC 68 1,240 0 27 Nov 2017
SplineCNN: Fast Geometric Deep Learning with Continuous B-Spline Kernels Matthias Fey J. E. Lenssen F. Weichert H. Müller 3DPC 28 437 0 24 Nov 2017
Recurrent Relational Networks Rasmus Berg Palm Ulrich Paquet Ole Winther GNN ReLM NAI 44 139 0 21 Nov 2017
Residual Gated Graph ConvNets Xavier Bresson T. Laurent GNN 25 461 0 20 Nov 2017
Few-Shot Learning with Graph Neural Networks Victor Garcia Satorras Joan Bruna GNN 25 1,230 0 10 Nov 2017