29 citations · 44 across the 4 of their papers we have counts for
3 papers · 1 filter
Scalable Autoregressive Deep Surrogates for Dendritic Microstructure Dynamics
Kaihua Ji, Luning Sun, Shusen Liu +2
Microstructural pattern formation, such as dendrite growth, occurs widely in materials and energy systems, significantly influencing material properties and functional performance.…
Cross-scale covariance for material property prediction
Benjamin A. Jasperson, Ilia Nikiforov, Amit Samanta +4
A simulation can stand its ground against experiment only if its prediction uncertainty is known. The unknown accuracy of interatomic potentials (IPs) is a major source of predicti…
Model-free quantification of completeness, uncertainties, and outliers in atomistic machine learning using information theory
Daniel Schwalbe-Koda, Sebastien Hamel, Babak Sadigh +2
An accurate description of information is relevant for a range of problems in atomistic machine learning (ML), such as crafting training sets, performing uncertainty quantification…