Optimal Uncertainty Quantification

We propose a rigorous framework for Uncertainty Quantification (UQ) in which the UQ objectives and the assumptions/information set are brought to the forefront. This framework, which we call Optimal Uncertainty Quantification (OUQ), is based on the observation that, given a set of assumptions and information about the problem, there exist optimal bounds on uncertainties: these are obtained as extreme values of well-defined optimization problems corresponding to extremizing probabilities of failure, or of deviations, subject to the constraints imposed by the scenarios compatible with the assumptions and information. In particular, this framework does not implicitly impose inappropriate assumptions, nor does it repudiate relevant information. Although OUQ optimization problems are extremely large, we show that under general conditions, they have finite-dimensional reductions. As an application, we develop Optimal Concentration Inequalities (OCI) of Hoeffding and McDiarmid type. Surprisingly, contrary to the classical sensitivity analysis paradigm, these results show that uncertainties in input parameters do not necessarily propagate to output uncertainties. In addition, a general algorithmic framework is developed for OUQ and is tested on the Caltech surrogate model for hypervelocity impact, suggesting the feasibility of the framework for important complex systems

Optimal Uncertainty Quantification

We propose a rigorous framework for Uncertainty Quantification (UQ) in which the UQ objectives and the assumptions/information set are brought to the forefront. This framework, which we call \emph{Optimal Uncertainty Quantification} (OUQ), is based on the observation that, given a set of assumptions and information about the problem, there exist optimal bounds on uncertainties: these are obtained as values of well-defined optimization problems corresponding to extremizing probabilities of failure, or of deviations, subject to the constraints imposed by the scenarios compatible with the assumptions and information. In particular, this framework does not implicitly impose inappropriate assumptions, nor does it repudiate relevant information. Although OUQ optimization problems are extremely large, we show that under general conditions they have finite-dimensional reductions. As an application, we develop \emph{Optimal Concentration Inequalities} (OCI) of Hoeffding and McDiarmid type. Surprisingly, these results show that uncertainties in input parameters, which propagate to output uncertainties in the classical sensitivity analysis paradigm, may fail to do so if the transfer functions (or probability distributions) are imperfectly known. We show how, for hierarchical structures, this phenomenon may lead to the non-propagation of uncertainties or information across scales. In addition, a general algorithmic framework is developed for OUQ and is tested on the Caltech surrogate model for hypervelocity impact and on the seismic safety assessment of truss structures, suggesting the feasibility of the framework for important complex systems. The introduction of this paper provides both an overview of the paper and a self-contained mini-tutorial about basic concepts and issues of UQ.Comment: 90 pages. Accepted for publication in SIAM Review (Expository Research Papers). See SIAM Review for higher quality figure

Convex Optimal Uncertainty Quantification

Optimal uncertainty quantification (OUQ) is a framework for numerical extreme-case analysis of stochastic systems with imperfect knowledge of the underlying probability distribution. This paper presents sufficient conditions under which an OUQ problem can be reformulated as a finite-dimensional convex optimization problem, for which efficient numerical solutions can be obtained. The sufficient conditions include that the objective function is piecewise concave and the constraints are piecewise convex. In particular, we show that piecewise concave objective functions may appear in applications where the objective is defined by the optimal value of a parameterized linear program.Comment: Accepted for publication in SIAM Journal on Optimizatio

Optimal uncertainty quantification for legacy data observations of Lipschitz functions

We consider the problem of providing optimal uncertainty quantification (UQ) --- and hence rigorous certification --- for partially-observed functions. We present a UQ framework within which the observations may be small or large in number, and need not carry information about the probability distribution of the system in operation. The UQ objectives are posed as optimization problems, the solutions of which are optimal bounds on the quantities of interest; we consider two typical settings, namely parameter sensitivities (McDiarmid diameters) and output deviation (or failure) probabilities. The solutions of these optimization problems depend non-trivially (even non-monotonically and discontinuously) upon the specified legacy data. Furthermore, the extreme values are often determined by only a few members of the data set; in our principal physically-motivated example, the bounds are determined by just 2 out of 32 data points, and the remainder carry no information and could be neglected without changing the final answer. We propose an analogue of the simplex algorithm from linear programming that uses these observations to offer efficient and rigorous UQ for high-dimensional systems with high-cardinality legacy data. These findings suggest natural methods for selecting optimal (maximally informative) next experiments.Comment: 38 page

The Optimal Uncertainty Algorithm in the Mystic Framework

We have recently proposed a rigorous framework for Uncertainty Quantification (UQ) in which UQ objectives and assumption/information set are brought into the forefront, providing a framework for the communication and comparison of UQ results. In particular, this framework does not implicitly impose inappropriate assumptions nor does it repudiate relevant information. This framework, which we call Optimal Uncertainty Quantification (OUQ), is based on the observation that given a set of assumptions and information, there exist bounds on uncertainties obtained as values of optimization problems and that these bounds are optimal. It provides a uniform environment for the optimal solution of the problems of validation, certification, experimental design, reduced order modeling, prediction, extrapolation, all under aleatoric and epistemic uncertainties. OUQ optimization problems are extremely large, and even though under general conditions they have finite-dimensional reductions, they must often be solved numerically. This general algorithmic framework for OUQ has been implemented in the mystic optimization framework. We describe this implementation, and demonstrate its use in the context of the Caltech surrogate model for hypervelocity impact

A closed-form solution to estimate uncertainty in non-rigid structure from motion

Semi-Definite Programming (SDP) with low-rank prior has been widely applied in Non-Rigid Structure from Motion (NRSfM). Based on a low-rank constraint, it avoids the inherent ambiguity of basis number selection in conventional base-shape or base-trajectory methods. Despite the efficiency in deformable shape reconstruction, it remains unclear how to assess the uncertainty of the recovered shape from the SDP process. In this paper, we present a statistical inference on the element-wise uncertainty quantification of the estimated deforming 3D shape points in the case of the exact low-rank SDP problem. A closed-form uncertainty quantification method is proposed and tested. Moreover, we extend the exact low-rank uncertainty quantification to the approximate low-rank scenario with a numerical optimal rank selection method, which enables solving practical application in SDP based NRSfM scenario. The proposed method provides an independent module to the SDP method and only requires the statistic information of the input 2D tracked points. Extensive experiments prove that the output 3D points have identical normal distribution to the 2D trackings, the proposed method and quantify the uncertainty accurately, and supports that it has desirable effects on routinely SDP low-rank based NRSfM solver.Comment: 9 pages, 2 figure

Optimal Forecast Reconciliation with Uncertainty Quantification

We propose to estimate the weight matrix used for forecast reconciliation as parameters in a general linear model in order to quantify its uncertainty. This implies that forecast reconciliation can be formulated as an orthogonal projection from the space of base-forecast errors into a coherent linear subspace. We use variance decomposition together with the Wishart distribution to derive the central estimator for the forecast-error covariance matrix. In addition, we prove that distance-reducing properties apply to the reconciled forecasts at all levels of the hierarchy as well as to the forecast-error covariance. A covariance matrix for the reconciliation weight matrix is derived, which leads to improved estimates of the forecast-error covariance matrix. We show how shrinkage can be introduced in the formulated model by imposing specific priors on the weight matrix and the forecast-error covariance matrix. The method is illustrated in a simulation study that shows consistent improvements in the log-score. Finally, standard errors for the weight matrix and the variance-separation formula are illustrated using a case study of forecasting electricity load in Sweden.Comment: 51 page