Research notes

Title	Description	Date
Kernel learning of a Lennard-Jones potential	Let’s learn a Lennard-Jones potential (shown in Figure 1). We’ll use a Gaussian process regression aka kernel. Later we will have a look at the effect of a physically…	2023-03-28
Symmetries in kernel-based machine learning	We propose to learn a mapping $Q \to O$ between the (featurized) representation of sample $i$ , $Q_{i}$ , and a target observable, $O_{i} = O (Q_{i})$ …	2023-03-23
Non-equilibrium reweighting	Consider a coordinate $x$ with unknown probability distribution, $p (x)$ . We further define $q (x)$ as a prior distribution on $p (x)$ . The most likely representation of …	2023-03-22