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cs.LG2025
KHRONOS: a Kernel-Based Neural Architecture for Rapid, Resource-Efficient Scientific Computation
Reza T. Batley, Sourav Saha
Contemporary models of high dimensional physical systems are constrained by the curse of dimensionality and a reliance on dense data. We introduce KHRONOS (Kernel Expansion Hierarc…
cond-mat.mtrl-sci2025
INN-FF: A Scalable and Efficient Machine Learning Potential for Molecular Dynamics
Taskin Mehereen, Sourav Saha, Intesar Jawad Jaigirdar +1
The ability to accurately model interatomic interactions in large-scale systems is fundamental to understanding a wide range of physical and chemical phenomena, from drug-protein b…