3 papers
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…
cs.LG2024
Interpolating neural network: A novel unification of machine learning and interpolation theory
Chanwook Park, Sourav Saha, Jiachen Guo +8
Artificial intelligence (AI) has revolutionized software development, shifting from task-specific codes (Software 1.0) to neural network-based approaches (Software 2.0). However, a…