The ML/HPC Journal Club will hold its monthly seminar on Wednesday, Jan. 16, 2019, at 3 p.m. in Building 240, Room 1405. Join us for presentations by Argonne Scientists Pankaj Rajak (LCF) and Mikael Binois (MCS).
“Deep Generative Model of Interfacial Structures in Phase Transformation of a MoWSe2 Monolayer” by Postdoctoral Appointee Pankaj Rajak.
Abstract
We present a deep generative model based on variational autoencoders (VAE) for dynamic fracture in MoWSe2 monolayers and a conditional variational autoencoder (CVAE) to generate intermediate structures including interfaces of alpha or beta structures, defects and surfaces. The synthesized structures are validated using quantum simulations, demonstrating their utility for nanoelectronics applications.
“Directions for High-dimensional Bayesian Optimization” by Postdoctoral Appointee Mikael Binois
Abstract
We review several options to cope with many (tens to thousands) of variables in Bayesian optimization, with emphasis on the low effective dimensionality or active subspace hypothesis.
For additional information, contact Noah Paulson (AMD).