3 papers
cs.LG2026
Don't Get Your Kroneckers in a Twist: Gaussian Processes on High-Dimensional Incomplete Grids
Mads Greisen Højlund, August Smart Lykke-Møller, Henry Moss +1
We introduce CUTS-GPR, a new method for performing numerically exact Gaussian process regression (GPR) in high-dimensional settings. The key component of CUTS-GPR is an extremely f…
physics.chem-ph2024
The time-dependent bivariational principle: Theoretical foundation for real-time propagation methods of coupled-cluster type
Simen Kvaal, Håkon Richard Fredheim, Mads Greisen Højlund +1
Real-time propagation methods for chemistry and physics are invariably formulated using variational techniques. The time-dependent bivariational principle (TD-BIVP) is known to be…
physics.chem-ph2024
A bivariational, stable and convergent hierarchy for time-dependent coupled cluster with adaptive basis sets
Mads Greisen Højlund, Ove Christiansen
We propose a new formulation of time-dependent coupled cluster with adaptive basis functions and division of the one-particle space into active and secondary subspaces. The formali…