• Griffiths RR, Hernandez-Lobato JM. Constrained Bayesian optimization for automatic chemical design using variational autoencoders, Chem. Sci., 2020, 11, 577-586.
  • Grant J, Boukouvalas A, Griffiths RR, Leslie D, Vakili S, Munoz de Cote E. Adaptive sensor placement for continuous spaces. Proceedings of the 36th International Conference on Machine Learning, PMLR 97:2385-2393, 2019.
  • Cheng B, Griffiths RR, Wengert S, Kunkel C, Stenczel T, Zhu B, Deringer VL, Bernstein N, Margraf JT, Reuter K, Csanyi G. Mapping materials and molecules, Acc. Chem. Res., 2020, 53, 9, 1981-1991.

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