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Register a new userKernel Interpolation for Scalable Online Gaussian Processes
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Gaussian processes (GPs) provide a gold standard for performance in online settings, such as sample-efficient control and black box optimization, where we need to update a posterior distribution as we acquire data in a sequential fashion. However, updating a GP posterior to accommodate even a single new observation after having observed $n$ points incurs at least $O(n)$ computations in the exact setting. We show how to use structured kernel interpolation to efficiently recycle computations for constant-time $O(1)$ online updates with respect to the number of points $n$, while retaining exact inference. We demonstrate the promise of our approach in a range of online regression and classification settings, Bayesian optimization, and active sampling to reduce error in malaria incidence forecasting. Code is available at https://github.com/wjmaddox/online_gp.
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A key challenge in scaling Gaussian Process (GP) regression to massive datasets is that exact inference requires computation with a dense n x n kernel matrix, where n is the number of data points. Significant work focuses on approximating the kernel matrix via interpolation using a smaller set of m inducing points. Structured kernel interpolation (SKI) is among the most scalable methods: by placing inducing points on a dense grid and using structured matrix algebra, SKI achieves per-iteration time of O(n + m log m) for approximate inference. This linear scaling in n enables inference for very large data sets; however the cost is per-iteration, which remains a limitation for extremely large n. We show that the SKI per-iteration time can be reduced to O(m log m) after a single O(n) time precomputation step by reframing SKI as solving a natural Bayesian linear regression problem with a fixed set of m compact basis functions. With per-iteration complexity independent of the dataset size n for a fixed grid, our method scales to truly massive data sets. We demonstrate speedups in practice for a wide range of m and n and apply the method to GP inference on a three-dimensional weather radar dataset with over 100 million points.
For a learning task, Gaussian process (GP) is interested in learning the statistical relationship between inputs and outputs, since it offers not only the prediction mean but also the associated variability. The vanilla GP however struggles to learn complicated distribution with the property of, e.g., heteroscedastic noise, multi-modality and non-stationarity, from massive data due to the Gaussian marginal and the cubic complexity. To this end, this article studies new scalable GP paradigms including the non-stationary heteroscedastic GP, the mixture of GPs and the latent GP, which introduce additional latent variables to modulate the outputs or inputs in order to learn richer, non-Gaussian statistical representation. We further resort to different variational inference strategies to arrive at analytical or tighter evidence lower bounds (ELBOs) of the marginal likelihood for efficient and effective model training. Extensive numerical experiments against state-of-the-art GP and neural network (NN) counterparts on various tasks verify the superiority of these scalable modulated GPs, especially the scalable latent GP, for learning diverse data distributions.
State-of-the-art methods for scalable Gaussian processes use iterative algorithms, requiring fast matrix vector multiplies (MVMs) with the covariance kernel. The Structured Kernel Interpolation (SKI) framework accelerates these MVMs by performing efficient MVMs on a grid and interpolating back to the original space. In this work, we develop a connection between SKI and the permutohedral lattice used for high-dimensional fast bilateral filtering. Using a sparse simplicial grid instead of a dense rectangular one, we can perform GP inference exponentially faster in the dimension than SKI. Our approach, Simplex-GP, enables scaling SKI to high dimensions, while maintaining strong predictive performance. We additionally provide a CUDA implementation of Simplex-GP, which enables significant GPU acceleration of MVM based inference.
Multi-output Gaussian processes (MOGPs) leverage the flexibility and interpretability of GPs while capturing structure across outputs, which is desirable, for example, in spatio-temporal modelling. The key problem with MOGPs is their computational scaling $O(n^3 p^3)$, which is cubic in the number of both inputs $n$ (e.g., time points or locations) and outputs $p$. For this reason, a popular class of MOGPs assumes that the data live around a low-dimensional linear subspace, reducing the complexity to $O(n^3 m^3)$. However, this cost is still cubic in the dimensionality of the subspace $m$, which is still prohibitively expensive for many applications. We propose the use of a sufficient statistic of the data to accelerate inference and learning in MOGPs with orthogonal bases. The method achieves linear scaling in $m$ in practice, allowing these models to scale to large $m$ without sacrificing significant expressivity or requiring approximation. This advance opens up a wide range of real-world tasks and can be combined with existing GP approximations in a plug-and-play way. We demonstrate the efficacy of the method on various synthetic and real-world data sets.
Gaussian processes (GPs) are used to make medical and scientific decisions, including in cardiac care and monitoring of carbon dioxide emissions. But the choice of GP kernel is often somewhat arbitrary. In particular, uncountably many kernels typically align with qualitative prior knowledge (e.g. function smoothness or stationarity). But in practice, data analysts choose among a handful of convenient standard kernels (e.g. squared exponential). In the present work, we ask: Would decisions made with a GP differ under other, qualitatively interchangeable kernels? We show how to formulate this sensitivity analysis as a constrained optimization problem over a finite-dimensional space. We can then use standard optimizers to identify substantive changes in relevant decisions made with a GP. We demonstrate in both synthetic and real-world examples that decisions made with a GP can exhibit substantial sensitivity to kernel choice, even when prior draws are qualitatively interchangeable to a user.
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