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We present diffusion-convolutional neural networks (DCNNs), a new model for graph-structured data.
Structure-activity relationship of mutagenic aromatic and heteroaromatic nitro compounds. correlation with molecular orbital energies and hydrophobicity
Asim Kumar Debnath, Rosa L Lopez de Compadre, Gargi Debnath, Alan J Shusterman, and Corwin Hansch · 1991
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Statistical evaluation of the predictive toxicology challenge 2000–2001
Hannu Toivonen, Ashwin Srinivasan, Ross D King, Stefan Kramer, and Christoph Helma · 2003
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Protein function prediction via graph kernels
Karsten M Borgwardt, Cheng Soon Ong, Stefan Schönauer, SVN Vishwanathan, Alex J Smola, and Hans-Peter Kriegel · 2005
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Efficient Inference in Large Conditional Random Fields
Trevor Cohn · 2006
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Link-based classification
P Sen and L Getoor · 2007
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Comparison of descriptor spaces for chemical compound retrieval and classification
Nikil Wale, Ian A Watson, and George Karypis · 2007
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Scene segmentation with crfs learned from partially labeled images
Jakob Verbeek and William Triggs · 2007
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Collective Classification in Network Data
Prithviraj Sen, Galileo Mark Namata, Mustafa Bilgic, Lise Getoor, Brian Gallagher, and Tina Eliassi-Rad · 2008
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The Graph Neural Network Model
F Scarselli, M Gori, Ah Chung Tsoi, M Hagenbuchner, and G Monfardini · 2009
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Neural Network for Graphs: A Contextual Constructive Approach
A Micheli · 2009
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Probabilistic Graphical Models: Principles and Techniques
Daphne Koller and Nir Friedman · 2009
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Theano: a CPU and GPU math expression compiler
James Bergstra, Olivier Breuleux, Frédéric Bastien, Pascal Lamblin, Razvan Pascanu, Guillaume Desjardins, Joseph Turian, David Warde-Farley, and Yoshua Bengio · 2010
Cited alongside, same era.
Adaptive subgradient methods for online learning and stochastic optimization
John Duchi, Elad Hazan, and Yoram Singer · 2011
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An experimental investigation of kernels on graphs for collaborative recommendation and semisupervised classification
François Fouss, Kevin Francoisse, Luh Yen, Alain Pirotte, and Marco Saerens · 2012
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Spectral networks and locally connected networks on graphs
Joan Bruna, Wojciech Zaremba, Arthur Szlam, and Yann LeCun · 2014
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Deep Graph Kernels
Pinar Yanardag and S V N Vishwanathan · 2015
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Deep Convolutional Networks on Graph-Structured Data
M Henaff, J Bruna, and Y LeCun · 2015
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Convolutional Networks on Graphs for Learning Molecular Fingerprints
David K Duvenaud, Dougal Maclaurin, Jorge Aguilera-Iparraguirre, Rafael Gómez-Bombarelli, Timothy Hirzel, Alán Aspuru-Guzik, and Ryan P Adams · 2015
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