3 papers
physics.chem-ph2025
Foundation Models for Discovery and Exploration in Chemical Space
Alexius Wadell, Anoushka Bhutani, Victor Azumah +26
Accurate prediction of atomistic, thermodynamic, and kinetic properties from molecular structures underpins materials innovation. Existing computational and experimental approaches…
cs.LG2025
The False Promise of Zero-Shot Super-Resolution in Machine-Learned Operators
Mansi Sakarvadia, Kareem Hegazy, Amin Totounferoush +4
A core challenge in scientific machine learning, and scientific computing more generally, is modeling continuous phenomena which (in practice) are represented discretely. Machine-l…
cs.LG2025
Recency Biased Causal Attention for Time-series Forecasting
Kareem Hegazy, Michael W. Mahoney, N. Benjamin Erichson
Recency bias is a useful inductive prior for sequential modeling: it emphasizes nearby observations and can still allow longer-range dependencies. Standard Transformer attention la…