arXiv subjects

Karen Willcox

Publications and source records attributed to Karen Willcox.

29 records · Page 2Linked to original sources

arXiv2021

Certifiable Risk-Based Engineering Design Optimization

Reliable, risk-averse design of complex engineering systems with optimized performance requires dealing with uncertainties. A conventional approach is to add safety margins to a design that was obtained from deterministic optimization. Safer engineering designs require appropriate cost and constraint function definitions that capture the \textit{risk} associated with unwanted system behavior in the presence of uncertainties. The paper proposes two notions of certifiability. The first is based on accounting for the magnitude of failure to ensure data-informed conservativeness. The second is the ability to provide optimization convergence guarantees by preserving convexity. Satisfying these notions leads to \textit{certifiable} risk-based design optimization (CRiBDO). In the context of CRiBDO, risk measures based on superquantile (a.k.a.\ conditional value-at-risk) and buffered probability of failure are analyzed. CRiBDO is contrasted with reliability-based design optimization (RBDO), where uncertainties are accounted for via the probability of failure, through a structural and a thermal design problem. A reformulation of the short column structural design problem leading to a convex CRiBDO problem is presented. The CRiBDO formulations capture more information about the problem to assign the appropriate conservativeness, exhibit superior optimization convergence by preserving properties of underlying functions, and alleviate the adverse effects of choosing hard failure thresholds required in RBDO.

math.OC↗

arXiv2020

Operator inference for non-intrusive model reduction of systems with non-polynomial nonlinear terms

This work presents a non-intrusive model reduction method to learn low-dimensional models of dynamical systems with non-polynomial nonlinear terms that are spatially local and that are given in analytic form. In contrast to state-of-the-art model reduction methods that are intrusive and thus require full knowledge of the governing equations and the operators of a full model of the discretized dynamical system, the proposed approach requires only the non-polynomial terms in analytic form and learns the rest of the dynamics from snapshots computed with a potentially black-box full-model solver. The proposed method learns operators for the linear and polynomially nonlinear dynamics via a least-squares problem, where the given non-polynomial terms are incorporated in the right-hand side. The least-squares problem is linear and thus can be solved efficiently in practice. The proposed method is demonstrated on three problems governed by partial differential equations, namely the diffusion-reaction Chafee-Infante model, a tubular reactor model for reactive flows, and a batch-chromatography model that describes a chemical separation process. The numerical results provide evidence that the proposed approach learns reduced models that achieve comparable accuracy as models constructed with state-of-the-art intrusive model reduction methods that require full knowledge of the governing equations.

math.NA↗

arXiv2020

Learning physics-based reduced-order models for a single-injector combustion process

This paper presents a physics-based data-driven method to learn predictive reduced-order models (ROMs) from high-fidelity simulations, and illustrates it in the challenging context of a single-injector combustion process. The method combines the perspectives of model reduction and machine learning. Model reduction brings in the physics of the problem, constraining the ROM predictions to lie on a subspace defined by the governing equations. This is achieved by defining the ROM in proper orthogonal decomposition (POD) coordinates, which embed the rich physics information contained in solution snapshots of a high-fidelity computational fluid dynamics (CFD) model. The machine learning perspective brings the flexibility to use transformed physical variables to define the POD basis. This is in contrast to traditional model reduction approaches that are constrained to use the physical variables of the high-fidelity code. Combining the two perspectives, the approach identifies a set of transformed physical variables that expose quadratic structure in the combustion governing equations and learns a quadratic ROM from transformed snapshot data. This learning does not require access to the high-fidelity model implementation. Numerical experiments show that the ROM accurately predicts temperature, pressure, velocity, species concentrations, and the limit-cycle amplitude, with speedups of more than five orders of magnitude over high-fidelity models. Our ROM simulation is shown to be predictive 200% past the training interval. Moreover, ROM-predicted pressure traces accurately match the phase of the pressure signal and yield good approximations of the limit-cycle amplitude.

physics.comp-ph↗

arXiv2020

Lift & Learn: Physics-informed machine learning for large-scale nonlinear dynamical systems

We present Lift & Learn, a physics-informed method for learning low-dimensional models for large-scale dynamical systems. The method exploits knowledge of a system's governing equations to identify a coordinate transformation in which the system dynamics have quadratic structure. This transformation is called a lifting map because it often adds auxiliary variables to the system state. The lifting map is applied to data obtained by evaluating a model for the original nonlinear system. This lifted data is projected onto its leading principal components, and low-dimensional linear and quadratic matrix operators are fit to the lifted reduced data using a least-squares operator inference procedure. Analysis of our method shows that the Lift & Learn models are able to capture the system physics in the lifted coordinates at least as accurately as traditional intrusive model reduction approaches. This preservation of system physics makes the Lift & Learn models robust to changes in inputs. Numerical experiments on the FitzHugh-Nagumo neuron activation model and the compressible Euler equations demonstrate the generalizability of our model.

math.NA↗

arXiv2020

Multifidelity Dimension Reduction via Active Subspaces

We propose a multifidelity dimension reduction method to identify a low-dimensional structure present in many engineering models. The structure of interest arises when functions vary primarily on a low-dimensional subspace of the high-dimensional input space, while varying little along the complementary directions. Our approach builds on the gradient-based methodology of active subspaces, and exploits models of different fidelities to reduce the cost of performing dimension reduction through the computation of the active subspace matrix. We provide a non-asymptotic analysis of the number of gradient evaluations sufficient to achieve a prescribed error in the active subspace matrix, both in expectation and with high probability. We show that the sample complexity depends on a notion of intrinsic dimension of the problem, which can be much smaller than the dimension of the input space. We illustrate the benefits of such a multifidelity dimension reduction approach using numerical experiments with input spaces of up to three thousand dimensions.

math.NA↗

arXiv2019

Multifidelity probability estimation via fusion of estimators

This paper develops a multifidelity method that enables estimation of failure probabilities for expensive-to-evaluate models via information fusion and importance sampling. The presented general fusion method combines multiple probability estimators with the goal of variance reduction. We use low-fidelity models to derive biasing densities for importance sampling and then fuse the importance sampling estimators such that the fused multifidelity estimator is unbiased and has mean-squared error lower than or equal to that of any of the importance sampling estimators alone. By fusing all available estimators, the method circumvents the challenging problem of selecting the best biasing density and using only that density for sampling. A rigorous analysis shows that the fused estimator is optimal in the sense that it has minimal variance amongst all possible combinations of the estimators. The asymptotic behavior of the proposed method is demonstrated on a convection-diffusion-reaction partial differential equation model for which $10^5$ samples can be afforded. To illustrate the proposed method at scale, we consider a model of a free plane jet and quantify how uncertainties at the flow inlet propagate to a quantity of interest related to turbulent mixing. Compared to an importance sampling estimator that uses the high-fidelity model alone, our multifidelity estimator reduces the required CPU time by 65\% while achieving a similar coefficient of variation.

stat.CO↗

arXiv2019

Nonlinear Model Order Reduction via Lifting Transformations and Proper Orthogonal Decomposition

This paper presents a structure-exploiting nonlinear model reduction method for systems with general nonlinearities. First, the nonlinear model is lifted to a model with more structure via variable transformations and the introduction of auxiliary variables. The lifted model is equivalent to the original model---it uses a change of variables, but introduces no approximations. When discretized, the lifted model yields a polynomial system of either ordinary differential equations or differential algebraic equations, depending on the problem and lifting transformation. Proper orthogonal decomposition (POD) is applied to the lifted models, yielding a reduced-order model for which all reduced-order operators can be pre-computed. Thus, a key benefit of the approach is that there is no need for additional approximations of nonlinear terms, in contrast with existing nonlinear model reduction methods requiring sparse sampling or hyper-reduction. Application of the lifting and POD model reduction to the FitzHugh-Nagumo benchmark problem and to a tubular reactor model with Arrhenius reaction terms shows that the approach is competitive in terms of reduced model accuracy with state-of-the-art model reduction via POD and discrete empirical interpolation, while having the added benefits of opening new pathways for rigorous analysis and input-independent model reduction via the introduction of the lifted problem structure.

math.NA↗

arXiv2018

Survey of multifidelity methods in uncertainty propagation, inference, and optimization

In many situations across computational science and engineering, multiple computational models are available that describe a system of interest. These different models have varying evaluation costs and varying fidelities. Typically, a computationally expensive high-fidelity model describes the system with the accuracy required by the current application at hand, while lower-fidelity models are less accurate but computationally cheaper than the high-fidelity model. Outer-loop applications, such as optimization, inference, and uncertainty quantification, require multiple model evaluations at many different inputs, which often leads to computational demands that exceed available resources if only the high-fidelity model is used. This work surveys multifidelity methods that accelerate the solution of outer-loop applications by combining high-fidelity and low-fidelity model evaluations, where the low-fidelity evaluations arise from an explicit low-fidelity model (e.g., a simplified physics approximation, a reduced model, a data-fit surrogate, etc.) that approximates the same output quantity as the high-fidelity model. The overall premise of these multifidelity methods is that low-fidelity models are leveraged for speedup while the high-fidelity model is kept in the loop to establish accuracy and/or convergence guarantees. We categorize multifidelity methods according to three classes of strategies: adaptation, fusion, and filtering. The paper reviews multifidelity methods in the outer-loop contexts of uncertainty propagation, inference, and optimization.

math.NA↗

arXiv2018

Research and Education in Computational Science and Engineering

Over the past two decades the field of computational science and engineering (CSE) has penetrated both basic and applied research in academia, industry, and laboratories to advance discovery, optimize systems, support decision-makers, and educate the scientific and engineering workforce. Informed by centuries of theory and experiment, CSE performs computational experiments to answer questions that neither theory nor experiment alone is equipped to answer. CSE provides scientists and engineers of all persuasions with algorithmic inventions and software systems that transcend disciplines and scales. Carried on a wave of digital technology, CSE brings the power of parallelism to bear on troves of data. Mathematics-based advanced computing has become a prevalent means of discovery and innovation in essentially all areas of science, engineering, technology, and society; and the CSE community is at the core of this transformation. However, a combination of disruptive developments---including the architectural complexity of extreme-scale computing, the data revolution that engulfs the planet, and the specialization required to follow the applications to new frontiers---is redefining the scope and reach of the CSE endeavor. This report describes the rapid expansion of CSE and the challenges to sustaining its bold advances. The report also presents strategies and directions for CSE research and education for the next decade.

cs.CE↗

arXiv2017

Goal-oriented optimal approximations of Bayesian linear inverse problems

We propose optimal dimensionality reduction techniques for the solution of goal-oriented linear-Gaussian inverse problems, where the quantity of interest (QoI) is a function of the inversion parameters. These approximations are suitable for large-scale applications. In particular, we study the approximation of the posterior covariance of the QoI as a low-rank negative update of its prior covariance, and prove optimality of this update with respect to the natural geodesic distance on the manifold of symmetric positive definite matrices. Assuming exact knowledge of the posterior mean of the QoI, the optimality results extend to optimality in distribution with respect to the Kullback-Leibler divergence and the Hellinger distance between the associated distributions. We also propose approximation of the posterior mean of the QoI as a low-rank linear function of the data, and prove optimality of this approximation with respect to a weighted Bayes risk. Both of these optimal approximations avoid the explicit computation of the full posterior distribution of the parameters and instead focus on directions that are well informed by the data and relevant to the QoI. These directions stem from a balance among all the components of the goal-oriented inverse problem: prior information, forward model, measurement noise, and ultimate goals. We illustrate the theory using a high-dimensional inverse problem in heat transfer.

stat.ME↗

arXiv2014

Minimum Local Distance Density Estimation

We present a local density estimator based on first order statistics. To estimate the density at a point, $x$, the original sample is divided into subsets and the average minimum sample distance to $x$ over all such subsets is used to define the density estimate at $x$. The tuning parameter is thus the number of subsets instead of the typical bandwidth of kernel or histogram-based density estimators. The proposed method is similar to nearest-neighbor density estimators but it provides smoother estimates. We derive the asymptotic distribution of this minimum sample distance statistic to study globally optimal values for the number and size of the subsets. Simulations are used to illustrate and compare the convergence properties of the estimator. The results show that the method provides good estimates of a wide variety of densities without changes of the tuning parameter, and that it offers competitive convergence performance.

stat.ME↗