Despite advances in scalable models, the inference tools used for Gaussian processes (GPs) have yet to fully capitalize on developments in computing hardware. We present an efficient and general approach to GP inference based on Blackbox Matrix-Matrix multiplication (BBMM). BBMM inference uses a modified batched version of the conjugate gradients algorithm to derive all terms for training and inference in a single call. BBMM reduces the asymptotic complexity of exact GP inference from O(n^3) to O(n^2). Adapting this algorithm to scalable approximations and complex GP models simply requires a routine for efficient matrix-matrix multiplication with the kernel and its derivative. In addition, BBMM uses a specialized preconditioner to substantially speed up convergence. In experiments we show that BBMM effectively uses GPU hardware to dramatically accelerate both exact GP inference and scalable approximations. Additionally, we provide GPyTorch, a software platform for scalable GP inference via BBMM, built on PyTorch.

Neural Information Processing Systems http://nips.cc/

Despite advances in scalable models, the inference tools used for Gaussian processes (GPs) have yet to fully capitalize on developments in computing hardware. We present an efficient and general approach to GP inference based on Blackbox Matrix-Matrix multiplication (BBMM). BBMM inference uses a modified batched version of the conjugate gradients algorithm to derive all terms for training and inference in a single call. BBMM reduces the asymptotic complexity of exact GP inference from O(n^3) to O(n^2). Adapting this algorithm to scalable approximations and complex GP models simply requires a routine for efficient matrix-matrix multiplication with the kernel and its derivative. In addition, BBMM uses a specialized preconditioner to substantially speed up convergence. In experiments we show that BBMM effectively uses GPU hardware to dramatically accelerate both exact GP inference and scalable approximations. Additionally, we provide GPyTorch, a software platform for scalable GP inference via BBMM, built on PyTorch.

Neural Information Processing Systems http://nips.cc/

Neural Information Processing Systems http://nips.cc/

Neural Information Processing Systems http://nips.cc/

Gaussian processes (GPs) play an essential role in biostatistics, scientific machine learning, and Bayesian optimization for their ability to provide probabilistic predictions and model uncertainty. However, GP inference struggles to scale to large datasets (which are common in modern applications), since it requires the solution of a linear system whose size scales quadratically with the number of samples in the dataset. We propose an approximate, distributed, accelerated sketch-and-project algorithm ($\texttt{ADASAP}$) for solving these linear systems, which improves scalability. We use the theory of determinantal point processes to show that the posterior mean induced by sketch-and-project rapidly converges to the true posterior mean. In particular, this yields the first efficient, condition number-free algorithm for estimating the posterior mean along the top spectral basis functions, showing that our approach is principled for GP inference. $\texttt{ADASAP}$ outperforms state-of-the-art solvers based on conjugate gradient and coordinate descent across several benchmark datasets and a large-scale Bayesian optimization task. Moreover, $\texttt{ADASAP}$ scales to a dataset with $> 3 \cdot 10^8$ samples, a feat which has not been accomplished in the literature.

In this study, we address the challenge of constructing continuous three-dimensional (3D) models that accurately represent uncertain surfaces, derived from noisy and incomplete LiDAR scanning data. Building upon our prior work, which utilized the Gaussian Process (GP) and Gaussian Mixture Model (GMM) for structured building models, we introduce a more generalized approach tailored for complex surfaces in urban scenes, where GMM Regression and GP with derivative observations are applied. A Hierarchical GMM (HGMM) is employed to optimize the number of GMM components and speed up the GMM training. With the prior map obtained from HGMM, GP inference is followed for the refinement of the final map. Our approach models the implicit surface of the geo-object and enables the inference of the regions that are not completely covered by measurements. The integration of GMM and GP yields well-calibrated uncertainty estimates alongside the surface model, enhancing both accuracy and reliability. The proposed method is evaluated on real data collected by a mobile mapping system. Compared to the performance in mapping accuracy and uncertainty quantification of other methods, such as Gaussian Process Implicit Surface map (GPIS) and log-Gaussian Process Implicit Surface map (Log-GPIS), the proposed method achieves lower RMSEs, higher log-likelihood values and lower computational costs for the evaluated datasets.

By enabling constraint-aware online model adaptation, model predictive control using Gaussian process (GP) regression has exhibited impressive performance in real-world applications and received considerable attention in the learning-based control community. Yet, solving the resulting optimal control problem in real-time generally remains a major challenge, due to i) the increased number of augmented states in the optimization problem, as well as ii) computationally expensive evaluations of the posterior mean and covariance and their respective derivatives. To tackle these challenges, we employ i) a tailored Jacobian approximation in a sequential quadratic programming (SQP) approach, and combine it with ii) a parallelizable GP inference and automatic differentiation framework. Reducing the numerical complexity with respect to the state dimension $n_x$ for each SQP iteration from $\mathcal{O}(n_x^6)$ to $\mathcal{O}(n_x^3)$, and accelerating GP evaluations on a graphical processing unit, the proposed algorithm computes suboptimal, yet feasible solutions at drastically reduced computation times and exhibits favorable local convergence properties. Numerical experiments verify the scaling properties and investigate the runtime distribution across different parts of the algorithm.

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.