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cs.DC2025
Fast Algorithms for Scheduling Many-body Correlation Functions on Accelerators
Oguz Selvitopi, Emin Ozturk, Jie Chen +3
Computation of correlation functions is a key operation in Lattice quantum chromodynamics (LQCD) simulations to extract nuclear physics observables. These functions involve many bi…
cs.DC2025
Optimizing Data Distribution and Kernel Performance for Efficient Training of Chemistry Foundation Models: A Case Study with MACE
Jesun Firoz, Franco Pellegrini, Mario Geiger +17
Chemistry Foundation Models (CFMs) that leverage Graph Neural Networks (GNNs) operating on 3D molecular graph structures are becoming indispensable tools for computational chemists…
cs.DC2024
What Operations can be Performed Directly on Compressed Arrays, and with What Error?
Tripti Agarwal, Harvey Dam, Dorra Ben Khalifa +3
In response to the rapidly escalating costs of computing with large matrices and tensors caused by data movement, several lossy compression methods have been developed to significa…