Towards Scalable Gaussian Process Modeling
This work addresses scalability challenges for industry applications using GP surrogate models, but it is incremental as it extends an existing framework with a new training methodology.
The paper tackles the scalability issue of Gaussian Process (GP) modeling for large datasets by implementing an Adaptive Sequential Monte Carlo (ASMC) method in the GEBHM framework, resulting in computational time savings without sacrificing predictability compared to the existing MCMC approach, as demonstrated on mathematical and industry applications.
Numerous engineering problems of interest to the industry are often characterized by expensive black-box objective experiments or computer simulations. Obtaining insight into the problem or performing subsequent optimizations requires hundreds of thousands of evaluations of the objective function which is most often a practically unachievable task. Gaussian Process (GP) surrogate modeling replaces the expensive function with a cheap-to-evaluate data-driven probabilistic model. While the GP does not assume a functional form of the problem, it is defined by a set of parameters, called hyperparameters. The hyperparameters define the characteristics of the objective function, such as smoothness, magnitude, periodicity, etc. Accurately estimating these hyperparameters is a key ingredient in developing a reliable and generalizable surrogate model. Markov chain Monte Carlo (MCMC) is a ubiquitously used Bayesian method to estimate these hyperparameters. At the GE Global Research Center, a customized industry-strength Bayesian hybrid modeling framework utilizing the GP, called GEBHM, has been employed and validated over many years. GEBHM is very effective on problems of small and medium size, typically less than 1000 training points. However, the GP does not scale well in time with a growing dataset and problem dimensionality which can be a major impediment in such problems. In this work, we extend and implement in GEBHM an Adaptive Sequential Monte Carlo (ASMC) methodology for training the GP enabling the modeling of large-scale industry problems. This implementation saves computational time (especially for large-scale problems) while not sacrificing predictability over the current MCMC implementation. We demonstrate the effectiveness and accuracy of GEBHM with ASMC on four mathematical problems and on two challenging industry applications of varying complexity.