2 papers
cs.LG2026
Differentiable Thermodynamic Phase-Equilibria for Machine Learning
Karim K. Ben Hicham, Moreno Ascani, Jan G. Rittig +1
Accurate prediction of phase equilibria remains a central challenge in chemical engineering. Physics-consistent machine learning methods that incorporate thermodynamic structure in…
cs.LG2026
Tabular foundation models for in-context prediction of molecular properties
Karim K. Ben Hicham, Jan G. Rittig, Martin Grohe +1
Accurate molecular property prediction is central to drug discovery, catalysis, and process design, yet real-world applications are often limited by small datasets. Molecular found…