# 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 \({\bf Q} \rightarrow O\) between the (featurized) representation of sample \(i\), \({\bf Q}_i\), and a target observable, \(O_i = O({\bf Q}_i)\)… | 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 |

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