Research notes
| Title | Description | Date |
|---|---|---|
| Kernel learning of a Lennard-Jones potential | Let’s learn a Lennard-Jones potential (shown in Figure 1).… | 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, \(O_i = O({\bf Q}_i)\). Examples… | 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 \(p(x)\… | 2023-03-22 |
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