-
1
-
-
34249079154
-
Network motifs: Theory and experimental approaches
-
Alon, Uri. Network motifs: Theory and experimental approaches. Nature Reviews Genetics, 8(6):450-461, 2007.
-
(2007)
Nature Reviews Genetics
, vol.8
, Issue.6
, pp. 450-461
-
-
Alon, U.1
-
2
-
-
85006343319
-
An artificial neural network for spatio-temporal bipolar patterns: Application to phoneme classification
-
Anderson, D.Z. (ed
-
Atlas, Les E., Homma, Toshiteru, and Marks, Robert J. N. An artificial neural network for spatio-temporal bipolar patterns: Application to phoneme classification. In Anderson, D.Z. (ed.), Neural Information Processing Systems, pp. 31-40. 1988.
-
(1988)
Neural Information Processing Systems
, pp. 31-40
-
-
Atlas, L.E.1
Homma, T.2
Marks, R.J.N.3
-
3
-
-
0001230437
-
Random graph isomorphism
-
Babai, Laszlo, Erdos, Paul, and Selkow, Stanley M. Random graph isomorphism. SIAMJ. Computing, 9(3):628- 635, 1980.
-
(1980)
SIAMJ. Computing
, vol.9
, Issue.3
, pp. 628-635
-
-
Babai, L.1
Erdos, P.2
Selkow, S.M.3
-
4
-
-
0038483826
-
Emergence of scaling in random networks
-
Barabasi, Albert-Laszlo and Albert, Reka. Emergence of scaling in random networks. Science, 286(5439):509- 512, 1999.
-
(1999)
Science
, vol.286
, Issue.5439
, pp. 509-512
-
-
Barabasi, A.-L.1
Albert, R.2
-
5
-
-
84857819132
-
Theano: A CPU and GPU math expression compiler
-
Bergstra, James, Breuleux, Olivier, Bastien, Frederic, Lamblin, Pascal, Pascanu, Razvan, Desjardins, Guil- laume, Turian, Joseph, Warde-Farley, David, and Ben-gio, Yoshua. Theano: A CPU and GPU math expression compiler. In Proceedings of the Python for Scientific Computing Conference (SciPy), 2010.
-
(2010)
Proceedings of the Python for Scientific Computing Conference (SciPy)
-
-
Bergstra, J.1
Breuleux, O.2
Bastien, F.3
Lamblin, P.4
Pascanu, R.5
Desjardins, G.-L.6
Turian, J.7
Warde-Farley, D.8
Ben-Gio, Y.9
-
6
-
-
84884316142
-
Tight lower and upper bounds for the complexity of canonical colour refinement
-
Berkholz, Christoph, Bonsma, Paul S., and Grohe, Martin. Tight lower and upper bounds for the complexity of canonical colour refinement. In Proceedings of the European Symposium on Algorithms, pp. 145-156, 2013.
-
(2013)
Proceedings of the European Symposium on Algorithms
, pp. 145-156
-
-
Berkholz, C.1
Bonsma, P.S.2
Grohe, M.3
-
8
-
-
85083951767
-
Spectral networks and locally connected networks on graphs
-
Bruna, Joan, Zaremba, Wojciech, Szlam, Arthur, and Le- Cun, Yann. Spectral networks and locally connected networks on graphs. In International Conference on Learning Representations, 2014.
-
(2014)
International Conference on Learning Representations
-
-
Bruna, J.1
Zaremba, W.2
Szlam, A.3
Le-Cun, Y.4
-
9
-
-
79955702502
-
Libsvm: A library for support vector machines
-
Chang, Chih-Chung and Lin, Chih-Jen. Libsvm: A library for support vector machines. ACM Trans. Intell. Syst. Technol., 2(3):271-2727, 2011.
-
(2011)
ACM Trans. Intell. Syst. Technol.
, vol.2
, Issue.3
, pp. 271-2727
-
-
Chang, C.-C.1
Lin, C.-J.2
-
10
-
-
84971640658
-
-
Chollet, Franois. keras. https://github.com/fchollet/keras, 2015.
-
(2015)
Keras
-
-
Chollet, F.1
-
11
-
-
0026087709
-
Structure-activity relationship of mutagenic aromatic and heteroaromatic nitro compounds, correlation with molecular orbital energies and hydrophobicity
-
Debnath, Asim Kumar, de Compadre, Rosa L. Lopez, Deb- nath, Gargi, Shusterman, Alan J., and Hansch, Cor-win. Structure-activity relationship of mutagenic aromatic and heteroaromatic nitro compounds, correlation with molecular orbital energies and hydrophobicity. J. Med. Chem., (34):786-797, 1991.
-
(1991)
J. Med. Chem.
, Issue.34
, pp. 786-797
-
-
Debnath, A.K.1
De Compadre, R.L.L.2
Deb-Nath, G.3
Shusterman, A.J.4
Hansch, C.-W.5
-
12
-
-
0041743078
-
Distinguishing enzyme structures from non-enzymes without alignments
-
Dobson, Paul D. and Doig, Andrew J. Distinguishing enzyme structures from non-enzymes without alignments. Journal of Molecular Biology, 330(4):771 - 783, 2003.
-
(2003)
Journal of Molecular Biology
, vol.330
, Issue.4
, pp. 771-783
-
-
Dobson, P.D.1
Doig, A.J.2
-
14
-
-
84965159799
-
Convolutional networks on graphs for learning molecular fingerprints
-
Duvenaud, David K, Maclaurin, Dougal, Iparraguirre, Jorge, Bombarell, Rafael, Hirzel, Timothy, Aspuru- Guzik, Alan, and Adams, Ryan P. Convolutional networks on graphs for learning molecular fingerprints. In Advances in Neural Information Processing Systems, pp. 2215-2223, 2015.
-
(2015)
Advances in Neural Information Processing Systems
, pp. 2215-2223
-
-
Duvenaud, D.K.1
Maclaurin, D.2
Iparraguirre, J.3
Bombarell, R.4
Hirzel, T.5
Aspuru-Guzik, A.6
Adams, R.P.7
-
15
-
-
0345368881
-
Unsupervised learning of distributions of binary vectors using two layer networks
-
Freund, Yoav and Haussler, David. Unsupervised learning of distributions of binary vectors using two layer networks. In Advances in Neural Information Processing Systems, pp. 912-919, 1992.
-
(1992)
Advances in Neural Information Processing Systems
, pp. 912-919
-
-
Freund, Y.1
Haussler, D.2
-
16
-
-
0019152630
-
Neocognitron: A self-organizing neural network model for a mechanism of pattern recog-nition unaffected by shift in position
-
Fukushima, Kunihiko. Neocognitron: A self-organizing neural network model for a mechanism of pattern recognition unaffected by shift in position. Biological Cybernetics, 36(4): 193-202, 1980.
-
(1980)
Biological Cybernetics
, vol.36
, Issue.4
, pp. 193-202
-
-
Fukushima, K.1
-
17
-
-
9444266406
-
On graph kernels: Hardness results and efficient alternatives
-
Gaertner, Thomas, Flach, Peter, and Wrobel, Stefan. On graph kernels: Hardness results and efficient alternatives. In Proceedings of the 16th Annual Conference on Computational Learning Theory, pp. 129-143, 2003.
-
(2003)
Proceedings of the 16th Annual Conference on Computational Learning Theory
, pp. 129-143
-
-
Gaertner, T.1
Flach, P.2
Wrobel, S.3
-
18
-
-
0004019973
-
-
Technical report, Department of Computer Science, University of California at Santa Cruz
-
Haussler, David. Convolution kernels on discrete structures. Technical report, Department of Computer Science, University of California at Santa Cruz, 1999.
-
(1999)
Convolution Kernels on Discrete Structures
-
-
Haussler, D.1
-
20
-
-
0014266913
-
Receptive fields and functional architecture of monkey striate cortex
-
London
-
Hubel, David H. and Wiesel, Torsten N. Receptive fields and functional architecture of monkey striate cortex. Journal of Physiology (London), 195:215-243, 1968.
-
(1968)
Journal of Physiology
, vol.195
, pp. 215-243
-
-
Hubel, D.H.1
Wiesel, T.N.2
-
21
-
-
77956540465
-
Counting belief propagation
-
Kersting, Kristian, Ahmadi, Babak, and Natarajan, Sri- raam. Counting belief propagation. In Proceedings of the Twenty-Fifth Conference on Uncertainty in Artificial Intelligence (UAI), pp. 277-284, 2009.
-
(2009)
Proceedings of the Twenty-Fifth Conference on Uncertainty in Artificial Intelligence (UAI)
, pp. 277-284
-
-
Kersting, K.1
Ahmadi, B.2
Natarajan, S.-R.3
-
22
-
-
84908181412
-
Power iterated color refinement
-
Kersting, Kristian, Mladenov, Martin, Garnett, Roman, and Grohe, Martin. Power iterated color refinement. In Proceedings of the Twenty-Eighth AAAI Conference on Artificial Intelligence (AMI), pp. 1904-1910, 2014.
-
(2014)
Proceedings of the Twenty-Eighth AAAI Conference on Artificial Intelligence (AMI)
, pp. 1904-1910
-
-
Kersting, K.1
Mladenov, M.2
Garnett, R.3
Grohe, M.4
-
25
-
-
71149089562
-
The graphlet spectrum
-
Kondor, Risi, Shervashidze, Nino, and Borgwardt, Karsten M. The graphlet spectrum. In Proceedings of the 26th International Conference on Machine Learning (ICML), pp. 529-536, 2009.
-
(2009)
Proceedings of the 26th International Conference on Machine Learning (ICML)
, pp. 529-536
-
-
Kondor, R.1
Shervashidze, N.2
Borgwardt, K.M.3
-
26
-
-
0000359337
-
Back- propagation applied to handwritten zip code recognition
-
LeCun, Y., Boser, B., Denker, J. S., Henderson, D., Howard, R. E., Hubbard, W., and Jackel, L. D. Back- propagation applied to handwritten zip code recognition. Neural Comput., 1(4):541-551, 1989.
-
(1989)
Neural Comput
, vol.1
, Issue.4
, pp. 541-551
-
-
LeCun, Y.1
Boser, B.2
Denker, J.S.3
Henderson, D.4
Howard, R.E.5
Hubbard, W.6
Jackel, L.D.7
-
27
-
-
0032203257
-
Gradient-based learning applied to document recognition
-
LeCun, Yann, Bottou, Leon, Bengio, Yoshua, and Haffner, Patrick. Gradient-based learning applied to document recognition. Proceedings of the IEEE, 86(11):2278- 2324, 1998.
-
(1998)
Proceedings of the IEEE
, vol.86
, Issue.11
, pp. 2278-2324
-
-
LeCun, Y.1
Bottou, L.2
Bengio, Y.3
Haffner, P.4
-
28
-
-
84930630277
-
Deep learning
-
LeCun, Yann, Bengio, Yoshua, and Hinton, Geoffrey. Deep learning. Nature, 521:436-444, 2015.
-
(2015)
Nature
, vol.521
, pp. 436-444
-
-
LeCun, Y.1
Bengio, Y.2
Hinton, G.3
-
29
-
-
84924178998
-
Community structure in large networks: Natural cluster sizes and the absence of large well-defined clusters
-
Leskovec, Jure, Lang, Kevin J, Dasgupta, Anirban, and Mahoney, Michael W. Community structure in large networks: Natural cluster sizes and the absence of large well-defined clusters. Internet Mathematics, 6(1):29- 123, 2009.
-
(2009)
Internet Mathematics
, vol.6
, Issue.1
, pp. 29-123
-
-
Leskovec, J.1
Lang, K.J.2
Dasgupta, A.3
Mahoney, M.W.4
-
30
-
-
84998642250
-
-
arXiv preprint arXiv: 1511.05493
-
Li, Yujia, Tarlow, Daniel, Brockschmidt, Marc, and Zemel, Richard. Gated graph sequence neural networks. arXiv preprint arXiv: 1511.05493, 2015.
-
(2015)
Gated Graph Sequence Neural Networks
-
-
Li, Y.1
Tarlow, D.2
Brockschmidt, M.3
Zemel, R.4
-
31
-
-
0020166327
-
Isomorphism of graphs of bounded valence can be tested in polynomial time
-
Luks, Eugene M. Isomorphism of graphs of bounded valence can be tested in polynomial time. Journal of Computer and System Sciences, (25):42-65, 1982.
-
(1982)
Journal of Computer and System Sciences
, Issue.25
, pp. 42-65
-
-
Luks, E.M.1
-
32
-
-
84888202264
-
Practical graph isomorphism, {II}
-
McKay, Brendan D. and Piperno, Adolfo. Practical graph isomorphism, {II}. Journal of Symbolic Computation, 60(0):94- 112, 2014.
-
(2014)
Journal of Symbolic Computation
, vol.60
, pp. 94-112
-
-
McKay, B.D.1
Piperno, A.2
-
33
-
-
0037174670
-
Network motifs: Simple building blocks of complex networks
-
Milo, Ron, Shen-Orr, Shai, Itzkovitz, Shalev, Kashtan, Nadav, Chklovskii, Dmitri, and Alon, Uri. Network motifs: simple building blocks of complex networks. Science, 298(5594):824-827, 2002.
-
(2002)
Science
, vol.298
, Issue.5594
, pp. 824-827
-
-
Milo, R.1
Shen-Orr, S.2
Itzkovitz, S.3
Kashtan, N.4
Chklovskii, D.5
Alon, U.6
-
34
-
-
0013075279
-
The complexity of mckays canonical labeling algorithm
-
Miyazaki, Takunari. The complexity of mckays canonical labeling algorithm. In Groups and Computation II, volume 28, pp. 239-256, 1997.
-
(1997)
Groups and Computation II
, vol.UME 28
, pp. 239-256
-
-
Miyazaki, T.1
-
36
-
-
84998603885
-
De. Graph invariant kernels
-
Orsini, E, Frasconi, P., and Raedt, L. De. Graph invariant kernels. In Proceedings of the AAAI Conference on Artificial Intelligence (AAAI), pp. 678-689, 2015.
-
(2015)
Proceedings of the AAAI Conference on Artificial Intelligence (AAAI)
, pp. 678-689
-
-
Orsini, E.1
Frasconi, P.2
Raedt, L.3
-
37
-
-
58649113008
-
The graph neural network model
-
Scarselli, F., Gori, M., Tsoi, A. C., Hagenbuchner, M., and Monfardini, G. The graph neural network model. IEEE Transactions on Neural Networks, 20(1):61-80, 2009.
-
(2009)
IEEE Transactions on Neural Networks
, vol.20
, Issue.1
, pp. 61-80
-
-
Scarselli, F.1
Gori, M.2
Tsoi, A.C.3
Hagenbuchner, M.4
Monfardini, G.5
-
38
-
-
84862273366
-
Efficient graphlet kernels for large graph comparison
-
Shervashidze, Nino, Vishwanathan, S.V.N., Petri, Tobias H., Mehlhorn, Kurt, and Borgwardt, Karsten M. Efficient graphlet kernels for large graph comparison. In Proceedings of the 12th International Conference on Artificial Intelligence and Statistics (AISTATS), pp. 488- 495, 2009.
-
(2009)
Proceedings of the 12th International Conference on Artificial Intelligence and Statistics (AISTATS)
, pp. 488-495
-
-
Shervashidze, N.1
Vishwanathan, S.V.N.2
Petri, T.H.3
Mehlhorn, K.4
Borgwardt, K.M.5
-
39
-
-
80555129683
-
Weisfeiler-lehman graph kernels
-
Shervashidze, Nino, Schweitzer, Pascal, van Leeuwen, Erik Jan, Mehlhorn, Kurt, and Borgwardt, Karsten M. Weisfeiler-lehman graph kernels. J. Mach. Learn. Res., 12:2539-2561, 2011.
-
(2011)
J. Mach. Learn. Res.
, vol.12
, pp. 2539-2561
-
-
Shervashidze, N.1
Schweitzer, P.2
Van Leeuwen, E.J.3
Mehlhorn, K.4
Borgwardt, K.M.5
-
40
-
-
0037818351
-
Statistical evaluation of the predictive toxicology challenge 2000-2001
-
Toivonen, Hannu, Srinivasan, Ashwin, King, Ross D, Kramer, Stefan, and Helma, Christoph. Statistical evaluation of the predictive toxicology challenge 2000-2001. Bioinformatics, 19(10): 1183-1193, 2003.
-
(2003)
Bioinformatics
, vol.19
, Issue.10
, pp. 1183-1193
-
-
Toivonen, H.1
Srinivasan, A.2
King, R.D.3
Kramer, S.4
Helma, C.5
-
41
-
-
77951950367
-
-
Vishwanathan, S. V. N., Schraudolph, Nicol N., Kondor, Risi, and Borgwardt, Karsten M. Graph kernels. J. Mach. Learn. Res., 11:1201-1242, 2010.
-
(2010)
Graph Kernels. J. Mach. Learn. Res.
, vol.11
, pp. 1201-1242
-
-
Vishwanathan, S.V.N.1
Schraudolph, N.N.2
Kondor, R.3
Borgwardt, K.M.4
-
43
-
-
84962184840
-
Atomnet: A deep convolutional neural network for bioactivity prediction in structure-based drug discovery
-
Wallach, Izhar, Dzamba, Michael, and Heifets, Abraham. Atomnet: A deep convolutional neural network for bioactivity prediction in structure-based drug discovery. CoRR, abs/1510.02855, 2015.
-
(2015)
CoRR, Abs/1510.02855
-
-
Wallach, I.1
Dzamba, M.2
Heifets, A.3
-
44
-
-
0003087030
-
A reduction of a graph to a canonical form and an algebra arising during this reduction
-
Weisfeiler, Boris and Lehman, AA. A reduction of a graph to a canonical form and an algebra arising during this reduction. Nauchno-Technicheskaya Informatsia, 2(9): 12-16, 1968.
-
(1968)
Nauchno-Technicheskaya Informatsia
, vol.2
, Issue.9
, pp. 12-16
-
-
Weisfeiler, B.1
Lehman, A.A.2
|