most citedFoundation Models for Discovery and Exploration in Chemical Space

2 citations · 2 across the 4 of their papers we have counts for

collaborators

5 papers

cs.LG2026

Neural equilibria for long-term prediction of nonlinear conservation laws

J. Antonio Lara Benitez, Kareem Hegazy, Junyi Guo +3

Nonlinear conservation laws govern a broad class of important physical systems in science and industry and are central to scientific machine learning (SciML). Large general-purpose…

physics.chem-ph20262 cited

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.LG2026

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…

cs.LG2026

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

Paving the way for scientific foundation models: enhancing generalization and robustness in PDEs with constraint-aware pre-training

Amin Totounferoush, Serge Kotchourko, Michael W. Mahoney +1

Partial differential equations (PDEs) govern a wide range of physical systems, but solving them efficiently remains a major challenge. The idea of a scientific foundation model (Sc…