Bayesian optimization using sequential Monte Carlo

We consider the problem of optimizing a real-valued continuous function $f$ using a Bayesian approach, where the evaluations of $f$ are chosen sequentially by combining prior information about $f$, which is described by a random process model, and past evaluation results. The main difficulty with this approach is to be able to compute the posterior distributions of quantities of interest which are used to choose evaluation points. In this article, we decide to use a Sequential Monte Carlo (SMC) approach

Bayesian Subset Simulation: a kriging-based subset simulation algorithm for the estimation of small probabilities of failure

The estimation of small probabilities of failure from computer simulations is a classical problem in engineering, and the Subset Simulation algorithm proposed by Au & Beck (Prob. Eng. Mech., 2001) has become one of the most popular method to solve it. Subset simulation has been shown to provide significant savings in the number of simulations to achieve a given accuracy of estimation, with respect to many other Monte Carlo approaches. The number of simulations remains still quite high however, and this method can be impractical for applications where an expensive-to-evaluate computer model is involved. We propose a new algorithm, called Bayesian Subset Simulation, that takes the best from the Subset Simulation algorithm and from sequential Bayesian methods based on kriging (also known as Gaussian process modeling). The performance of this new algorithm is illustrated using a test case from the literature. We are able to report promising results. In addition, we provide a numerical study of the statistical properties of the estimator.Comment: 11th International Probabilistic Assessment and Management Conference (PSAM11) and The Annual European Safety and Reliability Conference (ESREL 2012), Helsinki : Finland (2012

Optimization Monte Carlo: Efficient and Embarrassingly Parallel Likelihood-Free Inference

We describe an embarrassingly parallel, anytime Monte Carlo method for likelihood-free models. The algorithm starts with the view that the stochasticity of the pseudo-samples generated by the simulator can be controlled externally by a vector of random numbers u, in such a way that the outcome, knowing u, is deterministic. For each instantiation of u we run an optimization procedure to minimize the distance between summary statistics of the simulator and the data. After reweighing these samples using the prior and the Jacobian (accounting for the change of volume in transforming from the space of summary statistics to the space of parameters) we show that this weighted ensemble represents a Monte Carlo estimate of the posterior distribution. The procedure can be run embarrassingly parallel (each node handling one sample) and anytime (by allocating resources to the worst performing sample). The procedure is validated on six experiments.Comment: NIPS 2015 camera read

A Bayesian approach to constrained single- and multi-objective optimization

This article addresses the problem of derivative-free (single- or multi-objective) optimization subject to multiple inequality constraints. Both the objective and constraint functions are assumed to be smooth, non-linear and expensive to evaluate. As a consequence, the number of evaluations that can be used to carry out the optimization is very limited, as in complex industrial design optimization problems. The method we propose to overcome this difficulty has its roots in both the Bayesian and the multi-objective optimization literatures. More specifically, an extended domination rule is used to handle objectives and constraints in a unified way, and a corresponding expected hyper-volume improvement sampling criterion is proposed. This new criterion is naturally adapted to the search of a feasible point when none is available, and reduces to existing Bayesian sampling criteria---the classical Expected Improvement (EI) criterion and some of its constrained/multi-objective extensions---as soon as at least one feasible point is available. The calculation and optimization of the criterion are performed using Sequential Monte Carlo techniques. In particular, an algorithm similar to the subset simulation method, which is well known in the field of structural reliability, is used to estimate the criterion. The method, which we call BMOO (for Bayesian Multi-Objective Optimization), is compared to state-of-the-art algorithms for single- and multi-objective constrained optimization

Sequential Gaussian Processes for Online Learning of Nonstationary Functions

Many machine learning problems can be framed in the context of estimating functions, and often these are time-dependent functions that are estimated in real-time as observations arrive. Gaussian processes (GPs) are an attractive choice for modeling real-valued nonlinear functions due to their flexibility and uncertainty quantification. However, the typical GP regression model suffers from several drawbacks: i) Conventional GP inference scales $O(N^{3})$ with respect to the number of observations; ii) updating a GP model sequentially is not trivial; and iii) covariance kernels often enforce stationarity constraints on the function, while GPs with non-stationary covariance kernels are often intractable to use in practice. To overcome these issues, we propose an online sequential Monte Carlo algorithm to fit mixtures of GPs that capture non-stationary behavior while allowing for fast, distributed inference. By formulating hyperparameter optimization as a multi-armed bandit problem, we accelerate mixing for real time inference. Our approach empirically improves performance over state-of-the-art methods for online GP estimation in the context of prediction for simulated non-stationary data and hospital time series data

Robust Online Hamiltonian Learning

In this work we combine two distinct machine learning methodologies, sequential Monte Carlo and Bayesian experimental design, and apply them to the problem of inferring the dynamical parameters of a quantum system. We design the algorithm with practicality in mind by including parameters that control trade-offs between the requirements on computational and experimental resources. The algorithm can be implemented online (during experimental data collection), avoiding the need for storage and post-processing. Most importantly, our algorithm is capable of learning Hamiltonian parameters even when the parameters change from experiment-to-experiment, and also when additional noise processes are present and unknown. The algorithm also numerically estimates the Cramer-Rao lower bound, certifying its own performance.Comment: 24 pages, 12 figures; to appear in New Journal of Physic

Variational Sequential Monte Carlo

Many recent advances in large scale probabilistic inference rely on variational methods. The success of variational approaches depends on (i) formulating a flexible parametric family of distributions, and (ii) optimizing the parameters to find the member of this family that most closely approximates the exact posterior. In this paper we present a new approximating family of distributions, the variational sequential Monte Carlo (VSMC) family, and show how to optimize it in variational inference. VSMC melds variational inference (VI) and sequential Monte Carlo (SMC), providing practitioners with flexible, accurate, and powerful Bayesian inference. The VSMC family is a variational family that can approximate the posterior arbitrarily well, while still allowing for efficient optimization of its parameters. We demonstrate its utility on state space models, stochastic volatility models for financial data, and deep Markov models of brain neural circuits

Bayesian subset simulation

We consider the problem of estimating a probability of failure $\alpha$, defined as the volume of the excursion set of a function $f:\mathbb{X} \subseteq \mathbb{R}^{d} \to \mathbb{R}$ above a given threshold, under a given probability measure on $\mathbb{X}$. In this article, we combine the popular subset simulation algorithm (Au and Beck, Probab. Eng. Mech. 2001) and our sequential Bayesian approach for the estimation of a probability of failure (Bect, Ginsbourger, Li, Picheny and Vazquez, Stat. Comput. 2012). This makes it possible to estimate $\alpha$ when the number of evaluations of $f$ is very limited and $\alpha$ is very small. The resulting algorithm is called Bayesian subset simulation (BSS). A key idea, as in the subset simulation algorithm, is to estimate the probabilities of a sequence of excursion sets of $f$ above intermediate thresholds, using a sequential Monte Carlo (SMC) approach. A Gaussian process prior on $f$ is used to define the sequence of densities targeted by the SMC algorithm, and drive the selection of evaluation points of $f$ to estimate the intermediate probabilities. Adaptive procedures are proposed to determine the intermediate thresholds and the number of evaluations to be carried out at each stage of the algorithm. Numerical experiments illustrate that BSS achieves significant savings in the number of function evaluations with respect to other Monte Carlo approaches