Ahmed Attia

Abhijit Chowdhary, Ahmed Attia, Alen Alexanderian

We consider robust optimal experimental design (ROED) for nonlinear Bayesian inverse problems governed by partial differential equations (PDEs). An optimal design is one that maximizes some utility quantifying the quality of the solution of an inverse problem. However, the optimal design is dependent on elements of the inverse problem such as the simulation model, the prior, or the measurement error model. ROED aims to produce an optimal design that is aware of the additional uncertainties encoded in the inverse problem and remains optimal even after variations in them. We follow a worst-case scenario approach to develop a new framework for robust optimal design of nonlinear Bayesian inverse problems. The proposed framework a) is scalable and designed for infinite-dimensional Bayesian nonlinear inverse problems constrained by PDEs; b) develops efficient approximations of the utility, namely, the expected information gain; c) employs eigenvalue sensitivity techniques to develop analytical forms and efficient evaluation methods of the gradient of the utility with respect to the uncertainties we wish to be robust against; and d) employs a probabilistic optimization paradigm that properly defines and efficiently solves the resulting combinatorial max-min optimization problem. The effectiveness of the proposed approach is illustrated for optimal sensor placement problem in an inverse problem governed by an elliptic PDE.

Ahmed Attia

We present a fully probabilistic approach for solving binary optimization problems with black-box objective functions and with budget constraints. In the probabilistic approach, the optimization variable is viewed as a random variable and is associated with a parametric probability distribution. The original optimization problem is replaced with an optimization over the expected value of the original objective, which is then optimized over the probability distribution parameters. The resulting optimal parameter (optimal policy) is used to sample the binary space to produce estimates of the optimal solution(s) of the original binary optimization problem. The probability distribution is chosen from the family of Bernoulli models because the optimization variable is binary. The optimization constraints generally restrict the feasibility region. This can be achieved by modeling the random variable with a conditional distribution given satisfiability of the constraints. Thus, in this work we develop conditional Bernoulli distributions to model the random variable conditioned by the total number of nonzero entries, that is, the budget constraint. This approach (a) is generally applicable to binary optimization problems with nonstochastic black-box objective functions and budget constraints; (b) accounts for budget constraints by employing conditional probabilities that sample only the feasible region and thus considerably reduces the computational cost compared with employing soft constraints; and (c) does not employ soft constraints and thus does not require tuning of a regularization parameter, for example to promote sparsity, which is challenging in sensor placement optimization problems. The proposed approach is verified numerically by using an idealized bilinear binary optimization problem and is validated by using a sensor placement experiment in a parameter identification setup.

Ahmed Attia, Sven Leyffer, Todd Munson

Optimal design of experiments for Bayesian inverse problems has recently gained wide popularity and attracted much attention, especially in the computational science and Bayesian inversion communities. An optimal design maximizes a predefined utility function that is formulated in terms of the elements of an inverse problem, an example being optimal sensor placement for parameter identification. The state-of-the-art algorithmic approaches following this simple formulation generally overlook misspecification of the elements of the inverse problem, such as the prior or the measurement uncertainties. This work presents an efficient algorithmic approach for designing optimal experimental design schemes for Bayesian inverse problems such that the optimal design is robust to misspecification of elements of the inverse problem. Specifically, we consider a worst-case scenario approach for the uncertain or misspecified parameters, formulate robust objectives, and propose an algorithmic approach for optimizing such objectives. Both relaxation and stochastic solution approaches are discussed with detailed analysis and insight into the interpretation of the problem and the proposed algorithmic approach. Extensive numerical experiments to validate and analyze the proposed approach are carried out for sensor placement in a parameter identification problem.

Ahmed Attia, Sven Leyffer, Todd Munson

We present a novel stochastic approach to binary optimization for optimal experimental design (OED) for Bayesian inverse problems governed by mathematical models such as partial differential equations. The OED utility function, namely, the regularized optimality criterion, is cast into a stochastic objective function in the form of an expectation over a multivariate Bernoulli distribution. The probabilistic objective is then solved by using a stochastic optimization routine to find an optimal observational policy. The proposed approach is analyzed from an optimization perspective and also from a machine learning perspective with correspondence to policy gradient reinforcement learning. The approach is demonstrated numerically by using an idealized two-dimensional Bayesian linear inverse problem, and validated by extensive numerical experiments carried out for sensor placement in a parameter identification setup.

Azam Moosavi, Ahmed Attia, Adrian Sandu

Data assimilation plays a key role in large-scale atmospheric weather forecasting, where the state of the physical system is estimated from model outputs and observations, and is then used as initial condition to produce accurate future forecasts. The Ensemble Kalman Filter (EnKF) provides a practical implementation of the statistical solution of the data assimilation problem and has gained wide popularity as. This success can be attributed to its simple formulation and ease of implementation. EnKF is a Monte-Carlo algorithm that solves the data assimilation problem by sampling the probability distributions involved in Bayes theorem. Because of this, all flavors of EnKF are fundamentally prone to sampling errors when the ensemble size is small. In typical weather forecasting applications, the model state space has dimension $10^{9}-10^{12}$, while the ensemble size typically ranges between $30-100$ members. Sampling errors manifest themselves as long-range spurious correlations and have been shown to cause filter divergence. To alleviate this effect covariance localization dampens spurious correlations between state variables located at a large distance in the physical space, via an empirical distance-dependent function. The quality of the resulting analysis and forecast is greatly influenced by the choice of the localization function parameters, e.g., the radius of influence. The localization radius is generally tuned empirically to yield desirable results.This work, proposes two adaptive algorithms for covariance localization in the EnKF framework, both based on a machine learning approach. The first algorithm adapts the localization radius in time, while the second algorithm tunes the localization radius in both time and space. Numerical experiments carried out with the Lorenz-96 model, and a quasi-geostrophic model, reveal the potential of the proposed machine learning approaches.

Ahmed Attia, Azam Moosavi, Adrian Sandu

This paper presents a fully non-Gaussian version of the Hamiltonian Monte Carlo (HMC) sampling filter. The Gaussian prior assumption in the original HMC filter is relaxed. Specifically, a clustering step is introduced after the forecast phase of the filter, and the prior density function is estimated by fitting a Gaussian Mixture Model (GMM) to the prior ensemble. Using the data likelihood function, the posterior density is then formulated as a mixture density, and is sampled using a HMC approach (or any other scheme capable of sampling multimodal densities in high-dimensional subspaces). The main filter developed herein is named "cluster HMC sampling filter" (ClHMC). A multi-chain version of the ClHMC filter, namely MC-ClHMC is also proposed to guarantee that samples are taken from the vicinities of all probability modes of the formulated posterior. The new methodologies are tested using a quasi-geostrophic (QG) model with double-gyre wind forcing and bi-harmonic friction. Numerical results demonstrate the usefulness of using GMMs to relax the Gaussian prior assumption in the HMC filtering paradigm.