All Outputs (4)

Gaussian Process Models of Potential Energy Surfaces with Boundary Optimisation (2021)
Journal Article
Broad, J., Preston, S., Wheatley, R. J., & Graham, R. S. (2021). Gaussian Process Models of Potential Energy Surfaces with Boundary Optimisation. Journal of Chemical Physics, 155(14), Article 144106. https://doi.org/10.1063/5.0063534

A strategy is outlined to reduce the number of training points required to model intermolecular potentials using Gaussian processes, without reducing accuracy. An asymptotic function is used at long range and the cross-over distance between this mode... Read More about Gaussian Process Models of Potential Energy Surfaces with Boundary Optimisation.

Gaussian process models of potential energy surfaces with boundary optimization (2021)
Journal Article
Broad, J., Preston, S., Wheatley, R. J., & Graham, R. S. (2021). Gaussian process models of potential energy surfaces with boundary optimization. Journal of Chemical Physics, 155(14), Article 144106. https://doi.org/10.1063/5.0063534

A strategy is outlined to reduce the number of training points required to model intermolecular potentials using Gaussian processes, without reducing accuracy. An asymptotic function is used at a long range, and the crossover distance between this mo... Read More about Gaussian process models of potential energy surfaces with boundary optimization.

Approximate Maximum Likelihood Estimation for One-Dimensional Diffusions Observed on a Fine Grid (2021)
Journal Article
Lu, K. W., Paine, P. J., Preston, S. P., & Wood, A. T. A. (2022). Approximate Maximum Likelihood Estimation for One-Dimensional Diffusions Observed on a Fine Grid. Scandinavian Journal of Statistics, 49(3), 1085-1114. https://doi.org/10.1111/sjos.12556

We consider a one-dimensional stochastic differential equation that is observed on a fine grid of equally spaced time points. A novel approach for approximating the transition density of the stochastic differential equation is presented, which is bas... Read More about Approximate Maximum Likelihood Estimation for One-Dimensional Diffusions Observed on a Fine Grid.

Non?parametric regression for networks (2021)
Journal Article
Severn, K. E., Dryden, I. L., & Preston, S. P. (2021). Non?parametric regression for networks. Stat, 10(1), Article e373. https://doi.org/10.1002/sta4.373

Network data are becoming increasingly available, and so there is a need to develop suitable methodology for statistical analysis. Networks can be represented as graph Laplacian matrices, which are a type of manifold-valued data. Our main objective i... Read More about Non?parametric regression for networks.