Search Results - "Baldock, Robert J. N"

Exploiting molecular dynamics in Nested Sampling simulations of small peptides by Burkoff, Nikolas S., Baldock, Robert J.N., Várnai, Csilla, Wild, David L., Csányi, Gábor

“…Nested Sampling (NS) is a parameter space sampling algorithm which can be used for sampling the equilibrium thermodynamics of atomistic systems. NS has…”
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Constant-pressure nested sampling with atomistic dynamics by Baldock, Robert J. N, Bernstein, Noam, Salerno, K. Michael, Pártay, Lívia B, Csányi, Gábor

“…Phys. Rev. E 96, 043311 (2017) The nested sampling algorithm has been shown to be a general method for calculating the pressure-temperature-composition phase…”
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Determining pressure-temperature phase diagrams of materials by Baldock, Robert J. N, Pártay, Lívia B, Bartók, Albert P, Payne, Michael C, Csányi, Gábor

“…Phys. Rev. B 93, 174108 (2016) We extend the nested sampling algorithm to simulate materials under periodic boundary and constant pressure conditions, and show…”
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Deep Learning Through the Lens of Example Difficulty by Baldock, Robert J. N, Maennel, Hartmut, Neyshabur, Behnam

“…Existing work on understanding deep learning often employs measures that compress all data-dependent information into a few numbers. In this work, we adopt a…”
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Bayesian Neural Networks at Finite Temperature by Baldock, Robert J. N, Marzari, Nicola

“…We recapitulate the Bayesian formulation of neural network based classifiers and show that, while sampling from the posterior does indeed lead to better…”
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What Do Neural Networks Learn When Trained With Random Labels? by Maennel, Hartmut, Alabdulmohsin, Ibrahim, Tolstikhin, Ilya, Baldock, Robert J. N, Bousquet, Olivier, Gelly, Sylvain, Keysers, Daniel

“…We study deep neural networks (DNNs) trained on natural image data with entirely random labels. Despite its popularity in the literature, where it is often…”
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