2 code implementations • 31 Aug 2023 • David Pfau, Simon Axelrod, Halvard Sutterud, Ingrid von Glehn, James S. Spencer
We present a variational Monte Carlo algorithm for estimating the lowest excited states of a quantum system which is a natural generalization of the estimation of ground states.
3 code implementations • 24 Nov 2022 • Ingrid von Glehn, James S. Spencer, David Pfau
In recent years, deep neural networks like the FermiNet and PauliNet have been used to significantly improve the accuracy of these first-principle calculations, but they lack an attention-like mechanism for gating interactions between electrons.
1 code implementation • 23 Dec 2020 • Vinod Nair, Sergey Bartunov, Felix Gimeno, Ingrid von Glehn, Pawel Lichocki, Ivan Lobov, Brendan O'Donoghue, Nicolas Sonnerat, Christian Tjandraatmadja, Pengming Wang, Ravichandra Addanki, Tharindi Hapuarachchi, Thomas Keck, James Keeling, Pushmeet Kohli, Ira Ktena, Yujia Li, Oriol Vinyals, Yori Zwols
Our approach constructs two corresponding neural network-based components, Neural Diving and Neural Branching, to use in a base MIP solver such as SCIP.