Distribution calibration for regression We are concerned with obtaining well-calibrated output distributions from regression models. Such distributions allow us to quantify the uncertainty that the model has regarding the predicted target value. We introduce the novel concept of distribution calibration, and demonstrate its advantages over the existing definition of quantile calibration. We further propose a post-hoc approach to improving the predictions from previously trained regression models, using multi-output Gaussian Processes with a novel Beta link function. The proposed method is experimentally verified on a set of common regression models and shows improvements for both distribution-level and quantile-level calibration. Graph Convolutional Gaussian Processes We propose a novel Bayesian nonparametric method to learn translation-invariant relationships on non-Euclidean domains. The resulting graph convolutional Gaussian processes can be applied to problems in machine learning for which the input observations are functions with domains on general graphs. The structure of these models allows for high dimensional inputs while retaining expressibility, as is the case with convolutional neural networks. We present applications of graph convolutional Gaussian processes to images and triangular meshes, demonstrating their versatility and effectiveness, comparing favorably to existing methods, despite being relatively simple models. Asynchronous Batch Bayesian Optimisation with Improved Local Penalisation Batch Bayesian optimisation (BO) has been successfully applied to hyperparameter tuning using parallel computing, but it is wasteful of resources: workers that complete jobs ahead of others are left idle. We address this problem by developing an approach, Penalising Locally for Asynchronous Bayesian Optimisation on K Workers (PLAyBOOK), for asynchronous parallel BO. We demonstrate empirically the efficacy of PLAyBOOK and its variants on synthetic tasks and a real-world problem. We undertake a comparison between synchronous and asynchronous BO, and show that asynchronous BO often outperforms synchronous batch BO in both wall-clock time and sample efficiency. GOODE: A Gaussian Off-The-Shelf Ordinary Differential Equation Solver There are two types of ordinary differential equations (ODEs): initial value problems (IVPs) and boundary value problems (BVPs). While many probabilistic numerical methods for the solution of IVPs have been presented to-date, there exists no efficient probabilistic general-purpose solver for nonlinear BVPs. Our method based on iterated Gaussian process (GP) regression returns a GP posterior over the solution of nonlinear ODEs, which provides a meaningful error estimation via its predictive posterior standard deviation. Our solver is fast (typically of quadratic convergence rate) and the theory of convergence can be transferred from prior non-probabilistic work. Our method performs on par with standard codes for on an established benchmark of test problems. Overcoming Mean-Field Approximations in Recurrent Gaussian Process Models We identify a new variational inference scheme for dynamical systems whose transition function is modelled by a Gaussian process. Inference in this setting has, so far, either employed computationally intensive MCMC methods, or relied on factorisations of the variational posterior. As we demonstrate in our experiments, the factorisation between latent system states and transition function can lead to a miscalibrated posterior and to learning unnecessarily large noise terms. We eliminate this factorisation by explicitly modelling the dependence between the states and the low-rank representation of our Gaussian process posterior. Samples of the latent states can then be tractably generated by conditioning on this representation. The method we obtain gives better predictive performance and more calibrated estimates of the transition function, yet maintains the same time and space complexities as mean-field methods. AReS and MaRS - Adversarial and MMD-Minimizing Regression for SDEs Stochastic differential equations are an important modeling class in many disciplines. Consequently, there exist many methods relying on various discretization and numerical integration schemes. In this paper, we propose a novel, probabilistic model for estimating the drift and diffusion given noisy observations of the underlying stochastic system. Using state-of-the-art adversarial and moment matching inference techniques, we avoid the discretization schemes of classical approaches. This leads to significant improvements in parameter accuracy and robustness given random initial guesses. On four commonly used benchmark systems, we demonstrate the performance of our algorithms compared to state-of-the-art solutions based on extended Kalman filtering and Gaussian processes. End-to-End Probabilistic Inference for Nonstationary Audio Analysis A typical audio signal processing pipeline includes multiple disjoint analysis stages, including calculation of a time-frequency representation followed by spectrogram-based feature analysis. We show how time-frequency analysis and nonnegative matrix factorisation can be jointly formulated as a spectral mixture Gaussian process model with nonstationary priors over the amplitude variance parameters. Further, we formulate this nonlinear model's state space representation, making it amenable to infinite-horizon Gaussian process regression with approximate inference via expectation propagation, which scales linearly in the number of time steps and quadratically in the state dimensionality. By doing so, we are able to process audio signals with hundreds of thousands of data points. We demonstrate, on various tasks with empirical data, how this inference scheme outperforms more standard techniques that rely on extended Kalman filtering. Deep Gaussian Processes with Importance-Weighted Variational Inference Deep Gaussian processes (DGPs) can model complex marginal densities as well as complex mappings. Non-Gaussian marginals are essential for modelling real-world data, and can be generated from the DGP by incorporating uncorrelated variables to the model. Previous work in the DGP model has introduced noise additively, and used variational inference with a combination of sparse Gaussian processes and mean-field Gaussians for the approximate posterior. Additive noise attenuates the signal, and the Gaussian form of variational distribution may lead to an inaccurate posterior. We instead incorporate noisy variables as latent covariates, and propose a novel importance-weighted objective, which leverages analytic results and provides a mechanism to trade off computation for improved accuracy. Our results demonstrate that the importance-weighted objective works well in practice and consistently outperforms classical variational inference, especially for deeper models. Automated Model Selection with Bayesian Quadrature We present a novel techniques for tailoring Bayesian quadrature (BQ) to model selection. The state-of-the-art for comparing the evidence of multiple models relies on Monte Carlo methods, which converge slowly and are unreliable for computationally expensive models. Previous research has shown that BQ offers sample efficiency superior to Monte Carlo in computing the evidence of an individual model. However, applying BQ directly to model comparison may waste computation producing an overly-accurate estimate for the evidence of a clearly poor model. We propose an automated and efficient algorithm for computing the most-relevant quantity for model selection: the posterior probability of a model. Our technique maximize the mutual information between this quantity and observations of the models' likelihoods, yielding efficient acquisition of samples across disparate model spaces when likelihood observations are limited. Our method produces more-accurate model posterior estimates using fewer model likelihood evaluations than standard Bayesian quadrature and Monte Carlo estimators, as we demonstrate on synthetic and real-world examples.

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