2 papers
cs.LG2026
Coordinate-Free Automatic Differentiation
Alex Guerra, Joshua Aduol, Yaqian Tang +3
Automatic differentiation (AD) is a cornerstone of modern machine learning. Since all AD frameworks implicitly fix a basis of Euclidean space to define gradients and Jacobians, the…
cond-mat.mtrl-sci2025
Space Group Equivariant Crystal Diffusion
Rees Chang, Angela Pak, Alex Guerra +4
Accelerating inverse design of crystalline materials with generative models has significant implications for a range of technologies. Unlike other atomic systems, 3D crystals are i…