51 citations · 56 across the 13 of their papers we have counts for
3 papers · 1 filter
Adaptive Message Passing: A General Framework to Mitigate Oversmoothing, Oversquashing, and Underreaching
Federico Errica, Henrik Christiansen, Viktor Zaverkin +3
Long-range interactions are essential for the correct description of complex systems in many scientific fields. The price to pay for including them in the calculations, however, is…
Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials
Viktor Zaverkin, David Holzmüller, Henrik Christiansen +5
Efficiently creating a concise but comprehensive data set for training machine-learned interatomic potentials (MLIPs) is an under-explored problem. Active learning, which uses bias…
Continual Invariant Risk Minimization
Francesco Alesiani, Shujian Yu, Mathias Niepert
Empirical risk minimization can lead to poor generalization behavior on unseen environments if the learned model does not capture invariant feature representations. Invariant risk…