Gaussian Process (GP) models are popular statistical surrogates used for emulating computationally expensive computer simulators. The quality of a GP model fit can be assessed by a goodness of fit measure based on optimized likelihood. Finding the global maximum of the likelihood function for a GP model is typically very challenging as the likelihood surface often has multiple local optima, and an explicit expression for the gradient of the likelihood function is typically unavailable. Previous methods for optimizing the likelihood function (e.g., MacDonald et al. (2013)) have proven to be robust and accurate, though relatively inefficient. We propose several likelihood optimization techniques, including two modified multi-start local search techniques, based on the method implemented by MacDonald et al. (2013), that are equally as reliable, and significantly more efficient. A hybridization of the global search algorithm Dividing Rectangles (DIRECT) with the local optimization algorithm BFGS provides a comparable GP model quality for a fraction of the computational cost, and is the preferred optimization technique when computational resources are limited. We use several test functions and a real application from an oil reservoir simulation to test and compare the performance of the proposed methods with the one implemented by MacDonald et al. (2013) in the R library GPfit. The proposed method is implemented in a Matlab package, GPMfit.
We present SCQPTH: a differentiable first-order splitting method for convex quadratic programs. The SCQPTH framework is based on the alternating direction method of multipliers (ADMM) and the software implementation is motivated by the state-of-the art solver OSQP: an operating splitting solver for convex quadratic programs (QPs). The SCQPTH software is made available as an open-source python package and contains many similar features including efficient reuse of matrix factorizations, infeasibility detection, automatic scaling and parameter selection. The forward pass algorithm performs operator splitting in the dimension of the original problem space and is therefore suitable for large scale QPs with 100 − 1000 decision variables and thousands of constraints. Backpropagation is performed by implicit differentiation of the ADMM fixed-point mapping. Experiments demonstrate that for large scale QPs, SCQPTH can provide a 1 × −10× improvement in computational efficiency in comparison to existing differentiable QP solvers.
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