Large-scale Heteroscedastic Regression via Gaussian Process

Heteroscedastic regression considering the varying noises among observations has many applications in the fields like machine learning and statistics. Here we focus on the heteroscedastic Gaussian process (HGP) regression which integrates the latent function and the noise function together in a unified non-parametric Bayesian framework. Though showing remarkable performance, HGP suffers from the cubic time complexity, which strictly limits its application to big data. To improve the scalability, we first develop a variational sparse inference algorithm, named VSHGP, to handle large-scale datasets. Furthermore, two variants are developed to improve the scalability and capability of VSHGP. The first is stochastic VSHGP (SVSHGP) which derives a factorized evidence lower bound, thus enhancing efficient stochastic variational inference. The second is distributed VSHGP (DVSHGP) which (i) follows the Bayesian committee machine formalism to distribute computations over multiple local VSHGP experts with many inducing points; and (ii) adopts hybrid parameters for experts to guard against over-fitting and capture local variety. The superiority of DVSHGP and SVSHGP as compared to existing scalable heteroscedastic/homoscedastic GPs is then extensively verified on various datasets.Comment: 14 pages, 15 figure

Understanding and Comparing Scalable Gaussian Process Regression for Big Data

As a non-parametric Bayesian model which produces informative predictive distribution, Gaussian process (GP) has been widely used in various fields, like regression, classification and optimization. The cubic complexity of standard GP however leads to poor scalability, which poses challenges in the era of big data. Hence, various scalable GPs have been developed in the literature in order to improve the scalability while retaining desirable prediction accuracy. This paper devotes to investigating the methodological characteristics and performance of representative global and local scalable GPs including sparse approximations and local aggregations from four main perspectives: scalability, capability, controllability and robustness. The numerical experiments on two toy examples and five real-world datasets with up to 250K points offer the following findings. In terms of scalability, most of the scalable GPs own a time complexity that is linear to the training size. In terms of capability, the sparse approximations capture the long-term spatial correlations, the local aggregations capture the local patterns but suffer from over-fitting in some scenarios. In terms of controllability, we could improve the performance of sparse approximations by simply increasing the inducing size. But this is not the case for local aggregations. In terms of robustness, local aggregations are robust to various initializations of hyperparameters due to the local attention mechanism. Finally, we highlight that the proper hybrid of global and local scalable GPs may be a promising way to improve both the model capability and scalability for big data.Comment: 25 pages, 15 figures, preprint submitted to KB

Metamodel-based importance sampling for structural reliability analysis

Structural reliability methods aim at computing the probability of failure of systems with respect to some prescribed performance functions. In modern engineering such functions usually resort to running an expensive-to-evaluate computational model (e.g. a finite element model). In this respect simulation methods, which may require $10^{3-6}$ runs cannot be used directly. Surrogate models such as quadratic response surfaces, polynomial chaos expansions or kriging (which are built from a limited number of runs of the original model) are then introduced as a substitute of the original model to cope with the computational cost. In practice it is almost impossible to quantify the error made by this substitution though. In this paper we propose to use a kriging surrogate of the performance function as a means to build a quasi-optimal importance sampling density. The probability of failure is eventually obtained as the product of an augmented probability computed by substituting the meta-model for the original performance function and a correction term which ensures that there is no bias in the estimation even if the meta-model is not fully accurate. The approach is applied to analytical and finite element reliability problems and proves efficient up to 100 random variables.Comment: 20 pages, 7 figures, 2 tables. Preprint submitted to Probabilistic Engineering Mechanic

Efficient posterior sampling for high-dimensional imbalanced logistic regression

High-dimensional data are routinely collected in many areas. We are particularly interested in Bayesian classification models in which one or more variables are imbalanced. Current Markov chain Monte Carlo algorithms for posterior computation are inefficient as $n$ and/or $p$ increase due to worsening time per step and mixing rates. One strategy is to use a gradient-based sampler to improve mixing while using data sub-samples to reduce per-step computational complexity. However, usual sub-sampling breaks down when applied to imbalanced data. Instead, we generalize piece-wise deterministic Markov chain Monte Carlo algorithms to include importance-weighted and mini-batch sub-sampling. These approaches maintain the correct stationary distribution with arbitrarily small sub-samples, and substantially outperform current competitors. We provide theoretical support and illustrate gains in simulated and real data applications.Comment: 4 figure

Bayesian Structure Learning for Markov Random Fields with a Spike and Slab Prior

In recent years a number of methods have been developed for automatically learning the (sparse) connectivity structure of Markov Random Fields. These methods are mostly based on L1-regularized optimization which has a number of disadvantages such as the inability to assess model uncertainty and expensive cross-validation to find the optimal regularization parameter. Moreover, the model's predictive performance may degrade dramatically with a suboptimal value of the regularization parameter (which is sometimes desirable to induce sparseness). We propose a fully Bayesian approach based on a "spike and slab" prior (similar to L0 regularization) that does not suffer from these shortcomings. We develop an approximate MCMC method combining Langevin dynamics and reversible jump MCMC to conduct inference in this model. Experiments show that the proposed model learns a good combination of the structure and parameter values without the need for separate hyper-parameter tuning. Moreover, the model's predictive performance is much more robust than L1-based methods with hyper-parameter settings that induce highly sparse model structures.Comment: Accepted in the Conference on Uncertainty in Artificial Intelligence (UAI), 201