Deep Gaussian Processes for Multi-fidelity Modeling

Multi-fidelity methods are prominently used when cheaply-obtained, but possibly biased and noisy, observations must be effectively combined with limited or expensive true data in order to construct reliable models. This arises in both fundamental machine learning procedures such as Bayesian optimization, as well as more practical science and engineering applications. In this paper we develop a novel multi-fidelity model which treats layers of a deep Gaussian process as fidelity levels, and uses a variational inference scheme to propagate uncertainty across them. This allows for capturing nonlinear correlations between fidelities with lower risk of overfitting than existing methods exploiting compositional structure, which are conversely burdened by structural assumptions and constraints. We show that the proposed approach makes substantial improvements in quantifying and propagating uncertainty in multi-fidelity set-ups, which in turn improves their effectiveness in decision making pipelines.

[1]  Shifeng Xiong,et al.  Sequential Design and Analysis of High-Accuracy and Low-Accuracy Computer Codes , 2013, Technometrics.

[2]  Slawomir Koziel,et al.  Multi-Level CFD-Based Airfoil Shape Optimization With Automated Low-Fidelity Model Selection , 2013, ICCS.

[3]  Richard E. Turner,et al.  The Gaussian Process Autoregressive Regression Model (GPAR) , 2018, AISTATS.

[4]  Kirthevasan Kandasamy,et al.  The Multi-fidelity Multi-armed Bandit , 2016, NIPS.

[5]  Yuhong Yang,et al.  Information Theory, Inference, and Learning Algorithms , 2005 .

[6]  Evgeny Burnaev,et al.  Large scale variable fidelity surrogate modeling , 2017, Annals of Mathematics and Artificial Intelligence.

[7]  David J. C. MacKay,et al.  Information Theory, Inference, and Learning Algorithms , 2004, IEEE Transactions on Information Theory.

[8]  Maurizio Filippone,et al.  Random Feature Expansions for Deep Gaussian Processes , 2016, ICML.

[9]  Ben Taskar,et al.  k-DPPs: Fixed-Size Determinantal Point Processes , 2011, ICML.

[10]  Haitao Liu,et al.  Cope with diverse data structures in multi-fidelity modeling: A Gaussian process method , 2018, Eng. Appl. Artif. Intell..

[11]  Neil D. Lawrence,et al.  Gaussian Processes for Big Data , 2013, UAI.

[12]  Nando de Freitas,et al.  Taking the Human Out of the Loop: A Review of Bayesian Optimization , 2016, Proceedings of the IEEE.

[13]  Neil D. Lawrence,et al.  Deep Gaussian Processes , 2012, AISTATS.

[14]  O. Macchi The coincidence approach to stochastic point processes , 1975, Advances in Applied Probability.

[15]  Alexis Boukouvalas,et al.  GPflow: A Gaussian Process Library using TensorFlow , 2016, J. Mach. Learn. Res..

[16]  Ryan P. Adams,et al.  Avoiding pathologies in very deep networks , 2014, AISTATS.

[17]  Benjamin Peherstorfer,et al.  Survey of multifidelity methods in uncertainty propagation, inference, and optimization , 2018, SIAM Rev..

[18]  Sonja Kuhnt,et al.  Design and analysis of computer experiments , 2010 .

[19]  Neil D. Lawrence,et al.  Variational Auto-encoded Deep Gaussian Processes , 2015, ICLR.

[20]  Marc Peter Deisenroth,et al.  Doubly Stochastic Variational Inference for Deep Gaussian Processes , 2017, NIPS.

[21]  Andrew J Majda,et al.  Quantifying uncertainty in climate change science through empirical information theory , 2010, Proceedings of the National Academy of Sciences.

[22]  A. O'Hagan,et al.  Predicting the output from a complex computer code when fast approximations are available , 2000 .

[23]  Loic Le Gratiet,et al.  RECURSIVE CO-KRIGING MODEL FOR DESIGN OF COMPUTER EXPERIMENTS WITH MULTIPLE LEVELS OF FIDELITY , 2012, 1210.0686.

[24]  Max Welling,et al.  Auto-Encoding Variational Bayes , 2013, ICLR.

[25]  Andreas C. Damianou,et al.  Deep Gaussian processes and variational propagation of uncertainty , 2015 .

[26]  Andreas C. Damianou,et al.  Nonlinear information fusion algorithms for data-efficient multi-fidelity modelling , 2017, Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences.

[27]  George E. Karniadakis,et al.  Deep Multi-fidelity Gaussian Processes , 2016, ArXiv.

[28]  Carl E. Rasmussen,et al.  Manifold Gaussian Processes for regression , 2014, 2016 International Joint Conference on Neural Networks (IJCNN).

[29]  Carl E. Rasmussen,et al.  Gaussian processes for machine learning , 2005, Adaptive computation and machine learning.

[30]  Karen Willcox,et al.  Multifidelity Optimization using Statistical Surrogate Modeling for Non-Hierarchical Information Sources , 2015 .

[31]  Kirthevasan Kandasamy,et al.  Multi-Fidelity Black-Box Optimization with Hierarchical Partitions , 2018, ICML.

[32]  Christopher K. I. Williams,et al.  Gaussian Processes for Machine Learning (Adaptive Computation and Machine Learning) , 2005 .

[33]  Chong Wang,et al.  Stochastic variational inference , 2012, J. Mach. Learn. Res..

[34]  Jonathan P. How,et al.  Reinforcement learning with multi-fidelity simulators , 2014, 2014 IEEE International Conference on Robotics and Automation (ICRA).

[35]  Jimmy Ba,et al.  Adam: A Method for Stochastic Optimization , 2014, ICLR.