Scaling hyperparameter optimisation to very large datasets remains an open problem in the Gaussian process community. This paper focuses on iterative methods, which use linear system solvers, like conjugate gradients, alternating projections or stochastic gradient descent, to construct an estimate of the marginal likelihood gradient. We discuss three key improvements which are applicable across solvers: (i) a pathwise gradient estimator, which reduces the required number of solver iterations and amortises the computational cost of making predictions, (ii) warm starting linear system solvers with the solution from the previous step, which leads to faster solver convergence at the cost of negligible bias, (iii) early stopping linear system solvers after a limited computational budget, which synergises with warm starting, allowing solver progress to accumulate over multiple marginal likelihood steps. These techniques provide speed-ups of up to $72\times$ when solving to tolerance, and decrease the average residual norm by up to $7\times$ when stopping early.

Scaling hyperparameter optimisation to very large datasets remains an open problem in the Gaussian process community.

Scaling hyperparameter optimisation to very large datasets remains an open problem in the Gaussian process community.

However, a considerable drawback is that these methods require both problem-specific potentials and individually tailored analyses.

Scaling hyperparameter optimisation to very large datasets remains an open problem in the Gaussian process community. This paper focuses on iterative methods, which use linear system solvers, like conjugate gradients, alternating projections or stochastic gradient descent, to construct an estimate of the marginal likelihood gradient. We discuss three key improvements which are applicable across solvers: (i) a pathwise gradient estimator, which reduces the required number of solver iterations and amortises the computational cost of making predictions, (ii) warm starting linear system solvers with the solution from the previous step, which leads to faster solver convergence at the cost of negligible bias, (iii) early stopping linear system solvers after a limited computational budget, which synergises with warm starting, allowing solver progress to accumulate over multiple marginal likelihood steps. These techniques provide speed-ups of up to 72\times when solving to tolerance, and decrease the average residual norm by up to 7\times when stopping early.

Scaling hyperparameter optimisation to very large datasets remains an open problem in the Gaussian process community. This paper focuses on iterative methods, which use linear system solvers, like conjugate gradients, alternating projections or stochastic gradient descent, to construct an estimate of the marginal likelihood gradient. We discuss three key improvements which are applicable across solvers: (i) a pathwise gradient estimator, which reduces the required number of solver iterations and amortises the computational cost of making predictions, (ii) warm starting linear system solvers with the solution from the previous step, which leads to faster solver convergence at the cost of negligible bias, (iii) early stopping linear system solvers after a limited computational budget, which synergises with warm starting, allowing solver progress to accumulate over multiple marginal likelihood steps. These techniques provide speed-ups of up to $72\times$ when solving to tolerance, and decrease the average residual norm by up to $7\times$ when stopping early.

Gaussian processes are a versatile probabilistic machine learning model whose effectiveness often depends on good hyperparameters, which are typically learned by maximising the marginal likelihood. In this work, we consider iterative methods, which use iterative linear system solvers to approximate marginal likelihood gradients up to a specified numerical precision, allowing a trade-off between compute time and accuracy of a solution. We introduce a three-level hierarchy of marginal likelihood optimisation for iterative Gaussian processes, and identify that the computational costs are dominated by solving sequential batches of large positive-definite systems of linear equations. We then propose to amortise computations by reusing solutions of linear system solvers as initialisations in the next step, providing a $\textit{warm start}$. Finally, we discuss the necessary conditions and quantify the consequences of warm starts and demonstrate their effectiveness on regression tasks, where warm starts achieve the same results as the conventional procedure while providing up to a $16 \times$ average speed-up among datasets.

Nonlinear Model Predictive Control (NMPC) is a state-of-the-art approach for locomotion and manipulation which leverages trajectory optimization at each control step. While the performance of this approach is computationally bounded, implementations of direct trajectory optimization that use iterative methods to solve the underlying moderately-large and sparse linear systems, are a natural fit for parallel hardware acceleration. In this work, we introduce MPCGPU, a GPU-accelerated, real-time NMPC solver that leverages an accelerated preconditioned conjugate gradient (PCG) linear system solver at its core. We show that MPCGPU increases the scalability and real-time performance of NMPC, solving larger problems, at faster rates. In particular, for tracking tasks using the Kuka IIWA manipulator, MPCGPU is able to scale to kilohertz control rates with trajectories as long as 512 knot points. This is driven by a custom PCG solver which outperforms state-of-the-art, CPU-based, linear system solvers by at least 10x for a majority of solves and 3.6x on average.

Almost everyone I know says that "backprop is just the chain rule." Although that's basically true, there are some subtle and beautiful things about automatic differentiation techniques (including backprop) that will not be appreciated with this dismissive attitude. This leads to a poor understanding. As I have ranted before: people do not understand basic facts about autodiff. Let's try to understand the difference between autodiff and the type of differentiation that you learned in calculus, which is called symbolic differentiation.

This paper considers the problem of canonical-correlation analysis (CCA) (Hotelling, 1936) and, more broadly, the generalized eigenvector problem for a pair of symmetric matrices. These are two fundamental problems in data analysis and scientific computing with numerous applications in machine learning and statistics (Shi and Malik, 2000; Hardoon et al., 2004; Witten et al., 2009). We provide simple iterative algorithms, with improved runtimes, for solving these problems that are globally linearly convergent with moderate dependencies on the condition numbers and eigenvalue gaps of the matrices involved. We obtain our results by reducing CCA to the top-$k$ generalized eigenvector problem. We solve this problem through a general framework that simply requires black box access to an approximate linear system solver. Instantiating this framework with accelerated gradient descent we obtain a running time of $O(\frac{z k \sqrt{\kappa}}{\rho} \log(1/\epsilon) \log \left(k\kappa/\rho\right))$ where $z$ is the total number of nonzero entries, $\kappa$ is the condition number and $\rho$ is the relative eigenvalue gap of the appropriate matrices. Our algorithm is linear in the input size and the number of components $k$ up to a $\log(k)$ factor. This is essential for handling large-scale matrices that appear in practice. To the best of our knowledge this is the first such algorithm with global linear convergence. We hope that our results prompt further research and ultimately improve the practical running time for performing these important data analysis procedures on large data sets.