Optimizing Data Distribution and Kernel Performance for Efficient Training of Chemistry Foundation Models: A Case Study with MACE.

Jesun Sahariar Firoz, Franco Pellegrini, Mario Geiger, Darren Hsu, Jenna A. Bilbrey, Han-Yi Chou, Maximilian Stadler, Markus Hhnerbach, Tingyu Wang, Dejun Lin, Emine Kkbenli, Henry W. Sprueill, Ilyes Batatia, Sotiris S. Xantheas, MalSoon Lee, Christopher J. Mundy, Gbor Csnyi, Justin S. Smith, Ponnuswamy Sadayappan, Sutanay Choudhury

Browse the full HPDC paper archive.