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cs.LG2024
Higher-Rank Irreducible Cartesian Tensors for Equivariant Message Passing
Viktor Zaverkin, Francesco Alesiani, Takashi Maruyama +5
The ability to perform fast and accurate atomistic simulations is crucial for advancing the chemical sciences. By learning from high-quality data, machine-learned interatomic poten…
cs.LG2024★ 2 cited
Compositional Generative Inverse Design
Tailin Wu, Takashi Maruyama, Long Wei +4
Inverse design, where we seek to design input variables in order to optimize an underlying objective function, is an important problem that arises across fields such as mechanical…