Fetching the paper…
Reading the bibliography…
Graph neural networks (GNN) are very popular methods in machine learning and have been applied very successfully to the prediction of the properties of molecules and materials.
B. Weisfeiler and A. Leman, NTI Ser. 2
1968
Earlier work this paper cites.
J. Sanchez, F. Ducastelle, and D. Gratias, Physica A: Statistical Mechanics and its Applications 128
1984
Earlier work this paper cites.
A. D. Becke, J. Chem. Phys. 98
1993
Earlier work this paper cites.
K. Liu, J. D. Cruzan, and R. J. Saykally, Science 271
1996
Earlier work this paper cites.
D. J. Wales and T. R. Walsh, The Journal of Chemical Physics 106
1997
Earlier work this paper cites.
S. Gumhold, X. Wang, R. S. MacLeod, et al. , in IMR (2001) pp. 293–305
2001
Earlier work this paper cites.
S. Maheshwary, N. Patel, N. Sathyamurthy, A. D. Kulkarni, and S. R. Gadre, J. Phys. Chem. A 105
2001
Earlier work this paper cites.
M. Boutin and G. Kemper, Advances in Applied Mathematics 32
2004
Earlier work this paper cites.
T. S. Zwier, Science 304
2004
Earlier work this paper cites.
J. Behler and M. Parrinello, Phys. Rev. Lett. 98
2007
Earlier work this paper cites.
N. Shervashidze and K. M. Borgwardt, in Proceedings of the 22nd International Conference on Neural Information Processing Systems , NIPS’09 (Curran Associates Inc., Red Hook, NY, USA, 2009) pp. 1660–1668
2009
Earlier work this paper cites.
S. Habershon, T. E. Markland, and D. E. Manolopoulos, J. Chem. Phys. 131
2009
Earlier work this paper cites.
A. P. Bartók, M. C. Payne, R. Kondor, and G. Csányi, Phys. Rev. Lett. 104
2010
Earlier work this paper cites.
B. L. Douglas, arxiv:1101.5211 (2011)
2011
Earlier work this paper cites.
N. Shervashidze, P. Schweitzer, E. J. van Leeuwen, K. Mehlhorn, and K. M. Borgwardt, J. Mach. Learn. Res. 12
2011
Earlier work this paper cites.
J. Behler, The Journal of Chemical Physics 134
2011
Earlier work this paper cites.
M. Rupp, A. Tkatchenko, K.-R. Müller, and O. A. von Lilienfeld, Phys. Rev. Lett. 108
2012
Earlier work this paper cites.
R. Kakarala, J Math Imaging Vis 44
2012
Earlier work this paper cites.
A. P. Bartók, R. Kondor, and G. Csányi, Phys. Rev. B 87
2013
Earlier work this paper cites.
A. Sadeghi, S. A. Ghasemi, B. Schaefer, S. Mohr, M. A. Lill, and S. Goedecker, J. Chem. Phys. 139
2013
Earlier work this paper cites.
O. A. von Lilienfeld, R. Ramakrishnan, M. Rupp, and A. Knoll, Int. J. Quantum Chem. 115
2015
Earlier work this paper cites.
D. K. Duvenaud, D. Maclaurin, J. Iparraguirre, R. Bombarell, T. Hirzel, A. Aspuru-Guzik, and R. P. Adams, in Advances in Neural Information Processing Systems (2015) pp. 2224–2232
2015
Earlier work this paper cites.
G. R. Medders, A. W. Götz, M. A. Morales, P. Bajaj, and F. Paesani, J. Chem. Phys. 143
2015
Earlier work this paper cites.
A. V. Shapeev, Multiscale Model. Simul. 14
2016
Cited alongside, same era.
T. N. Kipf and M. Welling, arXiv preprint arXiv:1609.02907 (2016)
2016
Cited alongside, same era.
S. Kearnes, K. McCloskey, M. Berndl, V. Pande, and P. Riley, J Comput Aided Mol Des 30
2016
Cited alongside, same era.
J. Gilmer, S. S. Schoenholz, P. F. Riley, O. Vinyals, and G. E. Dahl, in International Conference on Machine Learning (2017) pp. 1263–1272
2017
Cited alongside, same era.
K. Schütt, P.-J. Kindermans, H. E. S. Felix, S. Chmiela, A. Tkatchenko, and K.-R. Müller, in NIPS (2017)
2017
Cited alongside, same era.
K. T. Schütt, H. E. Sauceda, P.-J. Kindermans, A. Tkatchenko, and K.-R. Müller, J. Chem. Phys. 148
V. K. Garg, S. Jegelka, and T. Jaakkola, arxiv:2002.06157 (2020)
2020
Later among the works it cites.
J. Gasteiger, J. Groß, and S. Günnemann, in International Conference on Learning Representations (2020)
2020
Later among the works it cites.
N. Dym and H. Maron, arxiv:2010.02449 (2020)
2020
Later among the works it cites.
Q. Sun, X. Zhang, S. Banerjee, P. Bao, M. Barbry, N. S. Blunt, N. A. Bogdanov, G. H. Booth, J. Chen, Z.-H. Cui, J. J. Eriksen, Y. Gao, S. Guo, J. Hermann, M. R. Hermes, K. Koh, P. Koval, S. Lehtola, Z. Li, J. Liu, N. Mardirossian, J. D. McClain, M. Motta, B. Mussard, H. Q. Pham, A. Pulkin, W. Purwanto, P. J. Robinson, E. Ronca, E. R. Sayfutyarova, M. Scheurer, H. F. Schurkus, J. E. T. Smith, C. Sun, S.-N. Sun, S. Upadhyay, L. K. Wagner, X. Wang, A. White, J. D. Whitfield, M. J. Williamson, S. Wouters, J. Yang, J. M. Yu, T. Zhu, T. C. Berkelbach, S. Sharma, A. Y. Sokolov, and G. K.-L. Chan, J. Chem. Phys. 153
alphaXiv searches the wider corpus for related work and actual follow-ups.
alphaXiv is searching for related work…
2018
Cited alongside, same era.
N. Thomas, T. Smidt, S. Kearnes, L. Yang, L. Li, K. Kohlhoff, and P. Riley, arxiv:1802.08219 (2018)
2018
Cited alongside, same era.
T. T. Nguyen, E. Székely, G. Imbalzano, J. Behler, G. Csányi, M. Ceriotti, A. W. Götz, and F. Paesani, J. Chem. Phys. 148
2018
Cited alongside, same era.
G. Imbalzano, A. Anelli, D. Giofré, S. Klees, J. Behler, and M. Ceriotti, J. Chem. Phys. 148
2018
Cited alongside, same era.
W. Wu, Z. Qi, and L. Fuxin, in 2019 IEEE/CVF Conference on Computer Vision and Pattern Recognition (CVPR) (IEEE, Long Beach, CA, USA, 2019) pp. 9613–9622
2019
Cited alongside, same era.
M. J. Willatt, F. Musil, and M. Ceriotti, J. Chem. Phys. 150
2019
Cited alongside, same era.
R. Drautz, Phys. Rev. B 99
2019
Cited alongside, same era.
2020
Later among the works it cites.
N. Dandu, L. Ward, R. S. Assary, P. C. Redfern, B. Narayanan, I. T. Foster, and L. A. Curtiss, J. Phys. Chem. A 124
2020
Later among the works it cites.
J. Westermayr, M. Gastegger, and P. Marquetand, J. Phys. Chem. Lett. 11
2020
Later among the works it cites.
Y. Guo, H. Wang, Q. Hu, H. Liu, L. Liu, and M. Bennamoun, IEEE Trans. Pattern Anal. Mach. Intell. 43
2021
Later among the works it cites.
Y. Li, L. Ma, Z. Zhong, F. Liu, M. A. Chapman, D. Cao, and J. Li, IEEE Trans. Neural Netw. Learning Syst. 32
2021
Later among the works it cites.
F. Musil, A. Grisafi, A. P. Bartók, C. Ortner, G. Csányi, and M. Ceriotti, Chem. Rev. 121
2021
Later among the works it cites.
S. N. Pozdnyakov, L. Zhang, C. Ortner, G. Csányi, and M. Ceriotti, Open Res Europe 1
2021
Later among the works it cites.
C. Morris, M. Ritzert, M. Fey, W. L. Hamilton, J. E. Lenssen, G. Rattan, and M. Grohe, ArXiv181002244 Cs Stat (2021)
2021
Later among the works it cites.
Y. Zhang, J. Xia, and B. Jiang, Phys. Rev. Lett. 127
2021
Later among the works it cites.
J. Klicpera, F. Becker, and S. Günnemann, arxiv:2106.08903 (2021)
2021
Later among the works it cites.
K. Choudhary and B. DeCost, npj Comput Mater 7
2021
Later among the works it cites.
S. Villar, D. W. Hogg, K. Storey-Fisher, W. Yao, and B. Blum-Smith, in Advances in Neural Information Processing Systems , Vol. 34, edited by M. Ranzato, A. Beygelzimer, Y. Dauphin, P. Liang, and J. W. Vaughan (Curran Associates, Inc., 2021) pp. 28848–28863
2021
Later among the works it cites.
J. P. Heindel and S. S. Xantheas, J. Chem. Theory Comput. 17
2021
Later among the works it cites.
J. Westermayr and R. J. Maurer, Chem. Sci. 12
2021
Later among the works it cites.
K. Schütt, O. Unke, and M. Gastegger, in Proceedings of the 38th International Conference on Machine Learning , Proceedings of Machine Learning Research, Vol. 139, edited by M. Meila and T. Zhang (PMLR, 2021) pp. 9377–9388
2021
Later among the works it cites.
D. Widdowson, M. M. Mosca, A. Pulido, A. I. Cooper, and V. Kurlin, match 87
2022
Closest in time.
B. Parsaeifard and S. Goedecker, J. Chem. Phys. 156
2022
Closest in time.
S. Pozdnyakov, M. J. Willatt, A. Bartok-Partay, C. Ortner, G. Csanyi, and M. Ceriotti, J. Chem. Phys. (2022), 10.1063/5.0088404
2022
Closest in time.
Y. Zhang, J. Xia, and B. Jiang, The Journal of Chemical Physics 156
2022
Closest in time.
J. Nigam, S. Pozdnyakov, G. Fraux, and M. Ceriotti, J. Chem. Phys. 156
2022
Closest in time.