Mathias Niepert

Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials

Federico Errica, David Holzmüller, Johannes Kastner, 2023, npj Computational Materials.

Structure-Aware E(3)-Invariant Molecular Conformer Aggregation Networks

D. M. Nguyen, Viktor Zaverkin, Mathias Niepert, 2024, ArXiv.

Accelerating Transformers with Spectrum-Preserving Token Merging

D. M. Nguyen, Mathias Niepert, Daniel Sonntag, 2024, ArXiv.

Higher-Rank Irreducible Cartesian Tensors for Equivariant Message Passing

Federico Errica, Viktor Zaverkin, Henrik Christiansen, 2024, ArXiv.

Continual Invariant Risk Minimization

Francesco Alesiani, Mathias Niepert, Shujian Yu, 2023, ArXiv.