37 citations · 116 across the 12 of their papers we have counts for
3 papers · 1 filter
Automatic Discovery of Composite SPMD Partitioning Strategies in PartIR
Sami Alabed, Dominik Grewe, Juliana Franco +6
Large neural network models are commonly trained through a combination of advanced parallelism strategies in a single program, multiple data (SPMD) paradigm. For example, training…
Learned Force Fields Are Ready For Ground State Catalyst Discovery
Michael Schaarschmidt, Morgane Riviere, Alex M. Ganose +6
We present evidence that learned density functional theory (``DFT'') force fields are ready for ground state catalyst discovery. Our key finding is that relaxation using forces fro…
Pre-training via Denoising for Molecular Property Prediction
Sheheryar Zaidi, Michael Schaarschmidt, James Martens +6
Many important problems involving molecular property prediction from 3D structures have limited data, posing a generalization challenge for neural networks. In this paper, we descr…