A random forest surrogate trained on 54 LAMMPS runs achieves 4% relative error on loop time and ranks configurations correctly within hardware regimes but degrades across architectural boundaries.
SPICA Force Field for Lipid Membranes: Domain Formation Induced by Cholesterol
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How far does a random forest generalize from a 54-run LAMMPS+SPICA benchmark?
A random forest surrogate trained on 54 LAMMPS runs achieves 4% relative error on loop time and ranks configurations correctly within hardware regimes but degrades across architectural boundaries.