no code implementations • 17 Nov 2023 • Julian Arnold, Niels Lörch, Flemming Holtorf, Frank Schäfer
Despite the widespread use and success of machine-learning techniques for detecting phase transitions from data, their working principle and fundamental limits remain elusive.
no code implementations • 15 Nov 2023 • Julian Arnold, Frank Schäfer, Niels Lörch
Up to now, the scheme required training a distinct binary classifier for each possible splitting of the grid into two sides, resulting in a computational cost that scales linearly with the number of grid points.
1 code implementation • 5 Nov 2021 • Julian Arnold, Juan Carlos San Vicente Veliz, Debasish Koner, Narendra Singh, Raymond J. Bemish, Markus Meuwly
Overall, the prediction accuracy as quantified by the root-mean-squared difference $(\sim 0. 003)$ and the $R^2$ $(\sim 0. 99)$ between the reference QCT and predictions of the STD model is high for the test set and off-grid state specific initial conditions and for initial conditions drawn from reactant state distributions characterized by translational, rotational and vibrational temperatures.
1 code implementation • 9 Oct 2020 • Julian Arnold, Frank Schäfer, Martin Žonda, Axel U. J. Lode
Fully automated classification methods that yield direct physical insights into phase diagrams are of current interest.
Disordered Systems and Neural Networks Strongly Correlated Electrons Quantum Physics