16 citations · 17 across the 6 of their papers we have counts for
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cs.LG2026
Surrogate Functionals for Machine-Learned Orbital-Free Density Functional Theory
Roman Remme, Fred A. Hamprecht
We introduce surrogate functionals: machine-learned energy functionals for orbital-free density functional theory (OF-DFT) which are defined not by universal fidelity to a physical…
cs.LG2024
Beyond Canonicalization: How Tensorial Messages Improve Equivariant Message Passing
Peter Lippmann, Gerrit Gerhartz, Roman Remme +1
In numerous applications of geometric deep learning, the studied systems exhibit spatial symmetries and it is desirable to enforce these. For the symmetry of global rotations and r…
cs.LG2019★ 1 cited
Learning the Arrow of Time
Nasim Rahaman, Steffen Wolf, Anirudh Goyal +2
We humans seem to have an innate understanding of the asymmetric progression of time, which we use to efficiently and safely perceive and manipulate our environment. Drawing inspir…