Program on Quasi-Monte Carlo and High-Dimensional Sampling Methods for Applied Mathematics Opening Workshop, A Sign-definite Heterogeneous Media Wave Propagation Model - Mahadevan Ganesh, Aug 31, 2017
This document discusses a stochastic wave propagation model in heterogeneous media. It presents a general operator theory framework that allows modeling of linear PDEs with random coefficients. For elliptic PDEs like diffusion equations, the framework guarantees well-posedness if the sum of operator norms is less than 2. For wave equations modeled by the Helmholtz equation, well-posedness requires restricting the wavenumber k due to dependencies of operator norms on k. Establishing explicit bounds on the norms remains an open problem, particularly for wave-trapping media.
Many mathematical models use a large number of poorly-known parameters as inputs. Quantifying the influence of each of these parameters is one of the aims of sensitivity analysis. Global Sensitivity Analysis is an important paradigm for understanding model behavior, characterizing uncertainty, improving model calibration, etc. Inputs’ uncertainty is modeled by a probability distribution. There exist various measures built in that paradigm. This tutorial focuses on the so-called Sobol’ indices, based on functional variance analysis. Estimation procedures will be presented, and the choice of the designs of experiments these procedures are based on will be discussed. As Sobol’ indices have no clear interpretation in the presence of statistical dependences between inputs, it also seems promising to measure sensitivity with Shapley effects, based on the notion of Shapley value, which is a solution concept in cooperative game theory.
Lattice rules are one of the two main classes of methods for quasi-Monte Carlo (QMC) and randomized quasi-Monte Carlo (RQMC) integration. In this tutorial, we recall the definition and summarize the key properties of lattice rules. We discuss what classes of functions these rules are good to integrate, and how their parameters can be chosen in terms of variance bounds for these classes of functions. We consider integration lattices in the real space as well as in a polynomial space over the finite field F2. We provide various numerical examples of how these rules perform compared with standard Monte Carlo. Some examples involve high-dimensional integrals, others involve Markov chains. We also discuss software design for RQMC and what software is available.
Multidimensional integrals may be approximated by weighted averages of integrand values. Quasi-Monte Carlo (QMC) methods are more accurate than simple Monte Carlo methods because they carefully choose where to evaluate the integrand. This tutorial focuses on how quickly QMC methods converge to the correct answer as the number of integrand values increases. The answer may depend on the smoothness of the integrand and the sophistication of the QMC method. QMC error analysis may assumes the integrand belongs to a reproducing kernel Hilbert space or may assume that the integrand is an instance of a stochastic process with known covariance structure. These two approaches have interesting parallels. This tutorial also explores how the computational cost of achieving a good approximation to the integral depends on the dimension of the domain of the integrand. Finally, this tutorial explores methods for determining how many integrand values are needed to satisfy the error tolerance. Relevant software is described.
The generation of Gaussian random fields over a physical domain is a challenging problem in computational mathematics, especially when the correlation length is short and the field is rough. The traditional approach is to make use of a truncated Karhunen-Loeve (KL) expansion, but the generation of even a single realisation of the field may then be effectively beyond reach (especially for 3-dimensional domains) if the need is to obtain an expected L2 error of say 5%, because of the potentially very slow convergence of the KL expansion. In this talk, based on joint work with Ivan Graham, Frances Kuo, Dirk Nuyens, and Rob Scheichl, a completely different approach is used, in which the field is initially generated at a regular grid on a 2- or 3-dimensional rectangle that contains the physical domain, and then possibly interpolated to obtain the field at other points. In that case there is no need for any truncation. Rather the main problem becomes the factorisation of a large dense matrix. For this we use circulant embedding and FFT ideas. Quasi-Monte Carlo integration is then used to evaluate the expected value of some functional of the finite-element solution of an elliptic PDE with a random field as input.
A fundamental numerical problem in many sciences is to compute integrals. These integrals can often be expressed as expectations and then approximated by sampling methods. Monte Carlo sampling is very competitive in high dimensions, but has a slow rate of convergence. One reason for this slowness is that the MC points form clusters and gaps. Quasi-Monte Carlo methods greatly reduce such clusters and gaps, and under modest smoothness demands on the integrand they can greatly improve accuracy. This can even take place in problems of surprisingly high dimension. This talk will introduce the basics of QMC and randomized QMC. It will include discrepancy and the Koksma-Hlawka inequality, some digital constructions and some randomized QMC methods that allow error estimation and sometimes bring improved accuracy.
We will describe and analyze accurate and efficient numerical algorithms to interpolate and approximate the integral of multivariate functions. The algorithms can be applied when we are given the function values at an arbitrary positioned, and usually small, existing sparse set of function values (samples), and additional samples are impossible, or difficult (e.g. expensive) to obtain. The methods are based on local, and global, tensor-product sparse quasi-interpolation methods that are exact for a class of sparse multivariate orthogonal polynomials.
In this tutorial I will provide a survey of recent research efforts on the application of QMC methods to PDEs with random coefficients. Such PDE problems occur in the area of uncertainty quantification. A prime example is the flow of water through a disordered porous medium. There is a huge body of literature on this topic using a variety of methods. QMC methods are relatively new to this application area. The aim of this tutorial is to provide an entry point for QMC experts wanting to start research in this direction, for PDE analysts and practitioners wanting to tap into contemporary QMC theory and methods, and for anyone else who sees how to cross-fertilize the ideas to other application areas.
We present recent result on the numerical analysis of Quasi Monte-Carlo quadrature methods, applied to forward and inverse uncertainty quantification for elliptic and parabolic PDEs. Particular attention will be placed on Higher
-Order QMC, the stable and efficient generation of
interlaced polynomial lattice rules, and the numerical analysis of multilevel QMC Finite Element discretizations with applications to computational uncertainty quantification.
Many mathematical models use a large number of poorly-known parameters as inputs. Quantifying the influence of each of these parameters is one of the aims of sensitivity analysis. Global Sensitivity Analysis is an important paradigm for understanding model behavior, characterizing uncertainty, improving model calibration, etc. Inputs’ uncertainty is modeled by a probability distribution. There exist various measures built in that paradigm. This tutorial focuses on the so-called Sobol’ indices, based on functional variance analysis. Estimation procedures will be presented, and the choice of the designs of experiments these procedures are based on will be discussed. As Sobol’ indices have no clear interpretation in the presence of statistical dependences between inputs, it also seems promising to measure sensitivity with Shapley effects, based on the notion of Shapley value, which is a solution concept in cooperative game theory.
Lattice rules are one of the two main classes of methods for quasi-Monte Carlo (QMC) and randomized quasi-Monte Carlo (RQMC) integration. In this tutorial, we recall the definition and summarize the key properties of lattice rules. We discuss what classes of functions these rules are good to integrate, and how their parameters can be chosen in terms of variance bounds for these classes of functions. We consider integration lattices in the real space as well as in a polynomial space over the finite field F2. We provide various numerical examples of how these rules perform compared with standard Monte Carlo. Some examples involve high-dimensional integrals, others involve Markov chains. We also discuss software design for RQMC and what software is available.
Multidimensional integrals may be approximated by weighted averages of integrand values. Quasi-Monte Carlo (QMC) methods are more accurate than simple Monte Carlo methods because they carefully choose where to evaluate the integrand. This tutorial focuses on how quickly QMC methods converge to the correct answer as the number of integrand values increases. The answer may depend on the smoothness of the integrand and the sophistication of the QMC method. QMC error analysis may assumes the integrand belongs to a reproducing kernel Hilbert space or may assume that the integrand is an instance of a stochastic process with known covariance structure. These two approaches have interesting parallels. This tutorial also explores how the computational cost of achieving a good approximation to the integral depends on the dimension of the domain of the integrand. Finally, this tutorial explores methods for determining how many integrand values are needed to satisfy the error tolerance. Relevant software is described.
The generation of Gaussian random fields over a physical domain is a challenging problem in computational mathematics, especially when the correlation length is short and the field is rough. The traditional approach is to make use of a truncated Karhunen-Loeve (KL) expansion, but the generation of even a single realisation of the field may then be effectively beyond reach (especially for 3-dimensional domains) if the need is to obtain an expected L2 error of say 5%, because of the potentially very slow convergence of the KL expansion. In this talk, based on joint work with Ivan Graham, Frances Kuo, Dirk Nuyens, and Rob Scheichl, a completely different approach is used, in which the field is initially generated at a regular grid on a 2- or 3-dimensional rectangle that contains the physical domain, and then possibly interpolated to obtain the field at other points. In that case there is no need for any truncation. Rather the main problem becomes the factorisation of a large dense matrix. For this we use circulant embedding and FFT ideas. Quasi-Monte Carlo integration is then used to evaluate the expected value of some functional of the finite-element solution of an elliptic PDE with a random field as input.
A fundamental numerical problem in many sciences is to compute integrals. These integrals can often be expressed as expectations and then approximated by sampling methods. Monte Carlo sampling is very competitive in high dimensions, but has a slow rate of convergence. One reason for this slowness is that the MC points form clusters and gaps. Quasi-Monte Carlo methods greatly reduce such clusters and gaps, and under modest smoothness demands on the integrand they can greatly improve accuracy. This can even take place in problems of surprisingly high dimension. This talk will introduce the basics of QMC and randomized QMC. It will include discrepancy and the Koksma-Hlawka inequality, some digital constructions and some randomized QMC methods that allow error estimation and sometimes bring improved accuracy.
We will describe and analyze accurate and efficient numerical algorithms to interpolate and approximate the integral of multivariate functions. The algorithms can be applied when we are given the function values at an arbitrary positioned, and usually small, existing sparse set of function values (samples), and additional samples are impossible, or difficult (e.g. expensive) to obtain. The methods are based on local, and global, tensor-product sparse quasi-interpolation methods that are exact for a class of sparse multivariate orthogonal polynomials.
In this tutorial I will provide a survey of recent research efforts on the application of QMC methods to PDEs with random coefficients. Such PDE problems occur in the area of uncertainty quantification. A prime example is the flow of water through a disordered porous medium. There is a huge body of literature on this topic using a variety of methods. QMC methods are relatively new to this application area. The aim of this tutorial is to provide an entry point for QMC experts wanting to start research in this direction, for PDE analysts and practitioners wanting to tap into contemporary QMC theory and methods, and for anyone else who sees how to cross-fertilize the ideas to other application areas.
We present recent result on the numerical analysis of Quasi Monte-Carlo quadrature methods, applied to forward and inverse uncertainty quantification for elliptic and parabolic PDEs. Particular attention will be placed on Higher
-Order QMC, the stable and efficient generation of
interlaced polynomial lattice rules, and the numerical analysis of multilevel QMC Finite Element discretizations with applications to computational uncertainty quantification.
Sequential quasi-Monte Carlo (SQMC) is a quasi-Monte Carlo (QMC) version of sequential Monte Carlo (or particle filtering), a popular class of Monte Carlo techniques used to carry out inference in state space models. In this talk I will first review the SQMC methodology as well as some theoretical results. Although SQMC converges faster than the usual Monte Carlo error rate its performance deteriorates quickly as the dimension of the hidden variable increases. However, I will show with an example that SQMC may perform well for some "high" dimensional problems. I will conclude this talk with some open problems and potential applications of SQMC in complicated settings.
In this talk we consider the question of how to use QMC with an empirical dataset, such as a set of points generated by MCMC. Using ideas from partitioning for parallel computing, we apply recursive bisection to reorder the points, and then interleave the bits of the QMC coordinates to select the appropriate point from the dataset. Numerical tests show that in the case of known distributions this is almost as effective as applying QMC directly to the original distribution. The same recursive bisection can also be used to thin the dataset, by recursively bisecting down to many small subsets of points, and then randomly selecting one point from each subset. This makes it possible to reduce the size of the dataset greatly without significantly increasing the overall error. Co-author: Fei Xie
One of the central tasks in computational mathematics and statistics is to accurately approximate unknown target functions. This is typically done with the help of data — samples of the unknown functions. The emergence of Big Data presents both opportunities and challenges. On one hand, big data introduces more information about the unknowns and, in principle, allows us to create more accurate models. On the other hand, data storage and processing become highly challenging. In this talk, we present a set of sequential algorithms for function approximation in high dimensions with large data sets. The algorithms are of iterative nature and involve only vector operations. They use one data sample at each step and can handle dynamic/stream data. We present both the numerical algorithms, which are easy to implement, as well as rigorous analysis for their theoretical foundation.
Recently, there has been a surge in activity at the interface of optimal transport and statistics (with special emphasis on machine learning applications). The talk will summarize new results and challenges in this active area. For example, we will show how many of the most popular estimators in machine learning (such as Lasso and svm's) can be interpreted as games. This interpretation opens the door for new and potentially better estimators and algorithms, as well as questions about the underlying complexity of these new class of estimators.
(This talk is based on joint work with F. He, Y. Kang, K. Murthy, and F. Zhang)
QMC algorithms usually rely on a choice of “N” evenly distributed integration nodes in $[0,1)^d$. A common means to assess such an equidistributional property for a point set or sequence is the so-called discrepancy function, which compares the actual number of points to the expected number of points (assuming uniform distribution on $[0,1)^{d}$) that lie within an arbitrary axis parallel rectangle anchored at the origin. The dependence of the integration error using QMC rules on various norms of the discrepancy function is made precise within the well-known Koksma--Hlawka inequality and its variations. In many cases, such as $L^{p}$ spaces, $1<p<\infty$, the best growth rate in terms of the number of points “N” as well as corresponding explicit constructions are known. In the classical setting $p=\infty$ sharp results are absent for $d\geq3$ already and appear to be intriguingly hard to obtain. This talk shall serve as a survey on discrepancy theory with a special emphasis on the $L^{\infty}$ setting. Furthermore, it highlights the evolution of recent techniques and presents the latest results.
In this talk, we give an overview of results on numerical integration in Hermite spaces. These spaces contain functions defined on $\mathbb{R}^d$, and can be characterized by the decay of their Hermite coefficients. We consider the case of exponentially as well as polynomially decaying Hermite coefficients. For numerical integration, we either use Gauss-Hermite quadrature rules or algorithms based on quasi-Monte Carlo rules. We present upper and lower error bounds for these algorithms, and discuss their dependence on the dimension $d$. Furthermore, we comment on open problems for future research.
Rao-Blackwellisation schemes for accelerating Metropolis-Hastings algorithmsChristian Robert
Aggregate of three different papers on Rao-Blackwellisation, from Casella & Robert (1996), to Douc & Robert (2010), to Banterle et al. (2015), presented during an OxWaSP workshop on MCMC methods, Warwick, Nov 20, 2015
Sequential quasi-Monte Carlo (SQMC) is a quasi-Monte Carlo (QMC) version of sequential Monte Carlo (or particle filtering), a popular class of Monte Carlo techniques used to carry out inference in state space models. In this talk I will first review the SQMC methodology as well as some theoretical results. Although SQMC converges faster than the usual Monte Carlo error rate its performance deteriorates quickly as the dimension of the hidden variable increases. However, I will show with an example that SQMC may perform well for some "high" dimensional problems. I will conclude this talk with some open problems and potential applications of SQMC in complicated settings.
In this talk we consider the question of how to use QMC with an empirical dataset, such as a set of points generated by MCMC. Using ideas from partitioning for parallel computing, we apply recursive bisection to reorder the points, and then interleave the bits of the QMC coordinates to select the appropriate point from the dataset. Numerical tests show that in the case of known distributions this is almost as effective as applying QMC directly to the original distribution. The same recursive bisection can also be used to thin the dataset, by recursively bisecting down to many small subsets of points, and then randomly selecting one point from each subset. This makes it possible to reduce the size of the dataset greatly without significantly increasing the overall error. Co-author: Fei Xie
One of the central tasks in computational mathematics and statistics is to accurately approximate unknown target functions. This is typically done with the help of data — samples of the unknown functions. The emergence of Big Data presents both opportunities and challenges. On one hand, big data introduces more information about the unknowns and, in principle, allows us to create more accurate models. On the other hand, data storage and processing become highly challenging. In this talk, we present a set of sequential algorithms for function approximation in high dimensions with large data sets. The algorithms are of iterative nature and involve only vector operations. They use one data sample at each step and can handle dynamic/stream data. We present both the numerical algorithms, which are easy to implement, as well as rigorous analysis for their theoretical foundation.
Recently, there has been a surge in activity at the interface of optimal transport and statistics (with special emphasis on machine learning applications). The talk will summarize new results and challenges in this active area. For example, we will show how many of the most popular estimators in machine learning (such as Lasso and svm's) can be interpreted as games. This interpretation opens the door for new and potentially better estimators and algorithms, as well as questions about the underlying complexity of these new class of estimators.
(This talk is based on joint work with F. He, Y. Kang, K. Murthy, and F. Zhang)
QMC algorithms usually rely on a choice of “N” evenly distributed integration nodes in $[0,1)^d$. A common means to assess such an equidistributional property for a point set or sequence is the so-called discrepancy function, which compares the actual number of points to the expected number of points (assuming uniform distribution on $[0,1)^{d}$) that lie within an arbitrary axis parallel rectangle anchored at the origin. The dependence of the integration error using QMC rules on various norms of the discrepancy function is made precise within the well-known Koksma--Hlawka inequality and its variations. In many cases, such as $L^{p}$ spaces, $1<p<\infty$, the best growth rate in terms of the number of points “N” as well as corresponding explicit constructions are known. In the classical setting $p=\infty$ sharp results are absent for $d\geq3$ already and appear to be intriguingly hard to obtain. This talk shall serve as a survey on discrepancy theory with a special emphasis on the $L^{\infty}$ setting. Furthermore, it highlights the evolution of recent techniques and presents the latest results.
In this talk, we give an overview of results on numerical integration in Hermite spaces. These spaces contain functions defined on $\mathbb{R}^d$, and can be characterized by the decay of their Hermite coefficients. We consider the case of exponentially as well as polynomially decaying Hermite coefficients. For numerical integration, we either use Gauss-Hermite quadrature rules or algorithms based on quasi-Monte Carlo rules. We present upper and lower error bounds for these algorithms, and discuss their dependence on the dimension $d$. Furthermore, we comment on open problems for future research.
Rao-Blackwellisation schemes for accelerating Metropolis-Hastings algorithmsChristian Robert
Aggregate of three different papers on Rao-Blackwellisation, from Casella & Robert (1996), to Douc & Robert (2010), to Banterle et al. (2015), presented during an OxWaSP workshop on MCMC methods, Warwick, Nov 20, 2015
Similar to Program on Quasi-Monte Carlo and High-Dimensional Sampling Methods for Applied Mathematics Opening Workshop, A Sign-definite Heterogeneous Media Wave Propagation Model - Mahadevan Ganesh, Aug 31, 2017
Localized Electrons with Wien2k
LDA+U, EECE, MLWF, DMFT
Elias Assmann
Vienna University of Technology, Institute for Solid State Physics
WIEN2013@PSU, Aug 14
MVPA with SpaceNet: sparse structured priorsElvis DOHMATOB
The GraphNet (aka S-Lasso), as well as other “sparsity + structure” priors like TV (Total-Variation), TV-L1, etc., are not easily applicable to brain data because of technical problems
relating to the selection of the regularization parameters. Also, in
their own right, such models lead to challenging high-dimensional optimization problems. In this manuscript, we present some heuristics for speeding up the overall optimization process: (a) Early-stopping, whereby one halts the optimization process when the test score (performance on leftout data) for the internal cross-validation for model-selection stops improving, and (b) univariate feature-screening, whereby irrelevant (non-predictive) voxels are detected and eliminated before the optimization problem is entered, thus reducing the size of the problem. Empirical results with GraphNet on real MRI (Magnetic Resonance Imaging) datasets indicate that these heuristics are a win-win strategy, as they add speed without sacrificing the quality of the predictions. We expect the proposed heuristics to work on other models like TV-L1, etc.
Multiple regression analysis is a powerful technique used for predicting the unknown value of a variable from the known value of two or more variables.
Understanding High-dimensional Networks for Continuous Variables Using ECLHPCC Systems
Syed Rahman & Kshitij Khare, University of Florida, present at the 2016 HPCC Systems Engineering Summit Community Day.
The availability of high dimensional data (or “big data”) has touched almost every field of science and industry. Such data, where the number of variables (features) is often much higher than the number of samples, is now more pervasive than it has ever been. Discovering meaningful relationships between the variables in such data is one of the major challenges that modern day data scientists have to contend with.
The covariance matrix of the variables is the most fundamental quantity that can help us understand the complex multivariate relationships in the data. In addition to estimating the inverse covariance matrix, CSCS can be used to detect the edges in a directed acyclic graph, as opposed to the edges an undirected graph, which CONCORD (presented at the 2015 summit) was used for.
Similar to the CONCORD algorithm, the CSCS algorithm works by minimizing a convex objective function through a cyclic coordinate minimization approach. In addition, it is theoretically guaranteed to converge to a global minimum of the objective function. One of the main advantage of CSCS is that each row can be calculated independently of the other rows, and thus we are able to harness the power of distributed computing.
Syed Rahman
Syed Rahman is a PhD student in the Statistics department at the University of Florida working under the supervision of Dr. Kshitij Khare. He is interested in high-dimensional covariance estimation. In 2015, Syed programmed the CONCORD algorithm in ECL and presented this at the HPCC Systems Engineering Summit.
Kshitij Khare
Kshitij Khare is an Associate Professor of Statistics at the University of Florida. He earned his Ph.D. in Statistics from Stanford University in 2009. He has a variety of interests, which include covariance/network estimation in high-dimensional datasets, and Bayesian inference using Markov chain Monte Carlo methods. One of Dr. Khare's major research focus is development of novel statistical methods and algorithms for "big data" or high-dimensional data.
Similar to Program on Quasi-Monte Carlo and High-Dimensional Sampling Methods for Applied Mathematics Opening Workshop, A Sign-definite Heterogeneous Media Wave Propagation Model - Mahadevan Ganesh, Aug 31, 2017 (20)
Recently, the machine learning community has expressed strong interest in applying latent variable modeling strategies to causal inference problems with unobserved confounding. Here, I discuss one of the big debates that occurred over the past year, and how we can move forward. I will focus specifically on the failure of point identification in this setting, and discuss how this can be used to design flexible sensitivity analyses that cleanly separate identified and unidentified components of the causal model.
I will discuss paradigmatic statistical models of inference and learning from high dimensional data, such as sparse PCA and the perceptron neural network, in the sub-linear sparsity regime. In this limit the underlying hidden signal, i.e., the low-rank matrix in PCA or the neural network weights, has a number of non-zero components that scales sub-linearly with the total dimension of the vector. I will provide explicit low-dimensional variational formulas for the asymptotic mutual information between the signal and the data in suitable sparse limits. In the setting of support recovery these formulas imply sharp 0-1 phase transitions for the asymptotic minimum mean-square-error (or generalization error in the neural network setting). A similar phase transition was analyzed recently in the context of sparse high-dimensional linear regression by Reeves et al.
Many different measurement techniques are used to record neural activity in the brains of different organisms, including fMRI, EEG, MEG, lightsheet microscopy and direct recordings with electrodes. Each of these measurement modes have their advantages and disadvantages concerning the resolution of the data in space and time, the directness of measurement of the neural activity and which organisms they can be applied to. For some of these modes and for some organisms, significant amounts of data are now available in large standardized open-source datasets. I will report on our efforts to apply causal discovery algorithms to, among others, fMRI data from the Human Connectome Project, and to lightsheet microscopy data from zebrafish larvae. In particular, I will focus on the challenges we have faced both in terms of the nature of the data and the computational features of the discovery algorithms, as well as the modeling of experimental interventions.
Bayesian Additive Regression Trees (BART) has been shown to be an effective framework for modeling nonlinear regression functions, with strong predictive performance in a variety of contexts. The BART prior over a regression function is defined by independent prior distributions on tree structure and leaf or end-node parameters. In observational data settings, Bayesian Causal Forests (BCF) has successfully adapted BART for estimating heterogeneous treatment effects, particularly in cases where standard methods yield biased estimates due to strong confounding.
We introduce BART with Targeted Smoothing, an extension which induces smoothness over a single covariate by replacing independent Gaussian leaf priors with smooth functions. We then introduce a new version of the Bayesian Causal Forest prior, which incorporates targeted smoothing for modeling heterogeneous treatment effects which vary smoothly over a target covariate. We demonstrate the utility of this approach by applying our model to a timely women's health and policy problem: comparing two dosing regimens for an early medical abortion protocol, where the outcome of interest is the probability of a successful early medical abortion procedure at varying gestational ages, conditional on patient covariates. We discuss the benefits of this approach in other women’s health and obstetrics modeling problems where gestational age is a typical covariate.
Difference-in-differences is a widely used evaluation strategy that draws causal inference from observational panel data. Its causal identification relies on the assumption of parallel trends, which is scale-dependent and may be questionable in some applications. A common alternative is a regression model that adjusts for the lagged dependent variable, which rests on the assumption of ignorability conditional on past outcomes. In the context of linear models, Angrist and Pischke (2009) show that the difference-in-differences and lagged-dependent-variable regression estimates have a bracketing relationship. Namely, for a true positive effect, if ignorability is correct, then mistakenly assuming parallel trends will overestimate the effect; in contrast, if the parallel trends assumption is correct, then mistakenly assuming ignorability will underestimate the effect. We show that the same bracketing relationship holds in general nonparametric (model-free) settings. We also extend the result to semiparametric estimation based on inverse probability weighting.
We develop sensitivity analyses for weak nulls in matched observational studies while allowing unit-level treatment effects to vary. In contrast to randomized experiments and paired observational studies, we show for general matched designs that over a large class of test statistics, any valid sensitivity analysis for the weak null must be unnecessarily conservative if Fisher's sharp null of no treatment effect for any individual also holds. We present a sensitivity analysis valid for the weak null, and illustrate why it is conservative if the sharp null holds through connections to inverse probability weighted estimators. An alternative procedure is presented that is asymptotically sharp if treatment effects are constant, and is valid for the weak null under additional assumptions which may be deemed reasonable by practitioners. The methods may be applied to matched observational studies constructed using any optimal without-replacement matching algorithm, allowing practitioners to assess robustness to hidden bias while allowing for treatment effect heterogeneity.
The world of health care is full of policy interventions: a state expands eligibility rules for its Medicaid program, a medical society changes its recommendations for screening frequency, a hospital implements a new care coordination program. After a policy change, we often want to know, “Did it work?” This is a causal question; we want to know whether the policy CAUSED outcomes to change. One popular way of estimating causal effects of policy interventions is a difference-in-differences study. In this controlled pre-post design, we measure the change in outcomes of people who are exposed to the new policy, comparing average outcomes before and after the policy is implemented. We contrast that change to the change over the same time period in people who were not exposed to the new policy. The differential change in the treated group’s outcomes, compared to the change in the comparison group’s outcomes, may be interpreted as the causal effect of the policy. To do so, we must assume that the comparison group’s outcome change is a good proxy for the treated group’s (counterfactual) outcome change in the absence of the policy. This conceptual simplicity and wide applicability in policy settings makes difference-in-differences an appealing study design. However, the apparent simplicity belies a thicket of conceptual, causal, and statistical complexity. In this talk, I will introduce the fundamentals of difference-in-differences studies and discuss recent innovations including key assumptions and ways to assess their plausibility, estimation, inference, and robustness checks.
We present recent advances and statistical developments for evaluating Dynamic Treatment Regimes (DTR), which allow the treatment to be dynamically tailored according to evolving subject-level data. Identification of an optimal DTR is a key component for precision medicine and personalized health care. Specific topics covered in this talk include several recent projects with robust and flexible methods developed for the above research area. We will first introduce a dynamic statistical learning method, adaptive contrast weighted learning (ACWL), which combines doubly robust semiparametric regression estimators with flexible machine learning methods. We will further develop a tree-based reinforcement learning (T-RL) method, which builds an unsupervised decision tree that maintains the nature of batch-mode reinforcement learning. Unlike ACWL, T-RL handles the optimization problem with multiple treatment comparisons directly through a purity measure constructed with augmented inverse probability weighted estimators. T-RL is robust, efficient and easy to interpret for the identification of optimal DTRs. However, ACWL seems more robust against tree-type misspecification than T-RL when the true optimal DTR is non-tree-type. At the end of this talk, we will also present a new Stochastic-Tree Search method called ST-RL for evaluating optimal DTRs.
A fundamental feature of evaluating causal health effects of air quality regulations is that air pollution moves through space, rendering health outcomes at a particular population location dependent upon regulatory actions taken at multiple, possibly distant, pollution sources. Motivated by studies of the public-health impacts of power plant regulations in the U.S., this talk introduces the novel setting of bipartite causal inference with interference, which arises when 1) treatments are defined on observational units that are distinct from those at which outcomes are measured and 2) there is interference between units in the sense that outcomes for some units depend on the treatments assigned to many other units. Interference in this setting arises due to complex exposure patterns dictated by physical-chemical atmospheric processes of pollution transport, with intervention effects framed as propagating across a bipartite network of power plants and residential zip codes. New causal estimands are introduced for the bipartite setting, along with an estimation approach based on generalized propensity scores for treatments on a network. The new methods are deployed to estimate how emission-reduction technologies implemented at coal-fired power plants causally affect health outcomes among Medicare beneficiaries in the U.S.
Laine Thomas presented information about how causal inference is being used to determine the cost/benefit of the two most common surgical surgical treatments for women - hysterectomy and myomectomy.
We provide an overview of some recent developments in machine learning tools for dynamic treatment regime discovery in precision medicine. The first development is a new off-policy reinforcement learning tool for continual learning in mobile health to enable patients with type 1 diabetes to exercise safely. The second development is a new inverse reinforcement learning tools which enables use of observational data to learn how clinicians balance competing priorities for treating depression and mania in patients with bipolar disorder. Both practical and technical challenges are discussed.
The method of differences-in-differences (DID) is widely used to estimate causal effects. The primary advantage of DID is that it can account for time-invariant bias from unobserved confounders. However, the standard DID estimator will be biased if there is an interaction between history in the after period and the groups. That is, bias will be present if an event besides the treatment occurs at the same time and affects the treated group in a differential fashion. We present a method of bounds based on DID that accounts for an unmeasured confounder that has a differential effect in the post-treatment time period. These DID bracketing bounds are simple to implement and only require partitioning the controls into two separate groups. We also develop two key extensions for DID bracketing bounds. First, we develop a new falsification test to probe the key assumption that is necessary for the bounds estimator to provide consistent estimates of the treatment effect. Next, we develop a method of sensitivity analysis that adjusts the bounds for possible bias based on differences between the treated and control units from the pretreatment period. We apply these DID bracketing bounds and the new methods we develop to an application on the effect of voter identification laws on turnout. Specifically, we focus estimating whether the enactment of voter identification laws in Georgia and Indiana had an effect on voter turnout.
We study experimental design in large-scale stochastic systems with substantial uncertainty and structured cross-unit interference. We consider the problem of a platform that seeks to optimize supply-side payments p in a centralized marketplace where different suppliers interact via their effects on the overall supply-demand equilibrium, and propose a class of local experimentation schemes that can be used to optimize these payments without perturbing the overall market equilibrium. We show that, as the system size grows, our scheme can estimate the gradient of the platform’s utility with respect to p while perturbing the overall market equilibrium by only a vanishingly small amount. We can then use these gradient estimates to optimize p via any stochastic first-order optimization method. These results stem from the insight that, while the system involves a large number of interacting units, any interference can only be channeled through a small number of key statistics, and this structure allows us to accurately predict feedback effects that arise from global system changes using only information collected while remaining in equilibrium.
We discuss a general roadmap for generating causal inference based on observational studies used to general real world evidence. We review targeted minimum loss estimation (TMLE), which provides a general template for the construction of asymptotically efficient plug-in estimators of a target estimand for realistic (i.e, infinite dimensional) statistical models. TMLE is a two stage procedure that first involves using ensemble machine learning termed super-learning to estimate the relevant stochastic relations between the treatment, censoring, covariates and outcome of interest. The super-learner allows one to fully utilize all the advances in machine learning (in addition to more conventional parametric model based estimators) to build a single most powerful ensemble machine learning algorithm. We present Highly Adaptive Lasso as an important machine learning algorithm to include.
In the second step, the TMLE involves maximizing a parametric likelihood along a so-called least favorable parametric model through the super-learner fit of the relevant stochastic relations in the observed data. This second step bridges the state of the art in machine learning to estimators of target estimands for which statistical inference is available (i.e, confidence intervals, p-values etc). We also review recent advances in collaborative TMLE in which the fit of the treatment and censoring mechanism is tailored w.r.t. performance of TMLE. We also discuss asymptotically valid bootstrap based inference. Simulations and data analyses are provided as demonstrations.
We describe different approaches for specifying models and prior distributions for estimating heterogeneous treatment effects using Bayesian nonparametric models. We make an affirmative case for direct, informative (or partially informative) prior distributions on heterogeneous treatment effects, especially when treatment effect size and treatment effect variation is small relative to other sources of variability. We also consider how to provide scientifically meaningful summaries of complicated, high-dimensional posterior distributions over heterogeneous treatment effects with appropriate measures of uncertainty.
Climate change mitigation has traditionally been analyzed as some version of a public goods game (PGG) in which a group is most successful if everybody contributes, but players are best off individually by not contributing anything (i.e., “free-riding”)—thereby creating a social dilemma. Analysis of climate change using the PGG and its variants has helped explain why global cooperation on GHG reductions is so difficult, as nations have an incentive to free-ride on the reductions of others. Rather than inspire collective action, it seems that the lack of progress in addressing the climate crisis is driving the search for a “quick fix” technological solution that circumvents the need for cooperation.
This seminar discussed ways in which to produce professional academic writing, from academic papers to research proposals or technical writing in general.
Machine learning (including deep and reinforcement learning) and blockchain are two of the most noticeable technologies in recent years. The first one is the foundation of artificial intelligence and big data, and the second one has significantly disrupted the financial industry. Both technologies are data-driven, and thus there are rapidly growing interests in integrating them for more secure and efficient data sharing and analysis. In this paper, we review the research on combining blockchain and machine learning technologies and demonstrate that they can collaborate efficiently and effectively. In the end, we point out some future directions and expect more researches on deeper integration of the two promising technologies.
In this talk, we discuss QuTrack, a Blockchain-based approach to track experiment and model changes primarily for AI and ML models. In addition, we discuss how change analytics can be used for process improvement and to enhance the model development and deployment processes.
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Program on Quasi-Monte Carlo and High-Dimensional Sampling Methods for Applied Mathematics Opening Workshop, A Sign-definite Heterogeneous Media Wave Propagation Model - Mahadevan Ganesh, Aug 31, 2017
1. .
A Sign-definite Heterogeneous Media Wave Propagation Model:
Progress Towards QMC Applications to Helmholtz PDE
M. Ganesh
Colorado School of Mines
http://www.mines.edu/~mganesh
Wave Propagation in a non-star-shaped medium of size L = 100λ = 100(2π/k).
2. A Sign-definite Heterogeneous Media Wave Propagation Model:
Progress Towards QMC Applications to Helmholtz PDE
M. Ganesh
Colorado School of Mines
http://www.mines.edu/~mganesh
Wave Propagation in a star-shaped geometry of diamater L = 100λ = 100(2π/k).
3. State-of-the-art:QMC for PDEs with random coefficients
• F. Kuo and D. Nuyens (2011+ work with: Dick, LeGia, Schwab, Sloan...)
Application of QMC to elliptic PDEs with random diffusion coefficients
– a survey of analysis and implementation, J. FoCM, 2016
4. State-of-the-art:QMC for PDEs with random coefficients
• F. Kuo and D. Nuyens (2011+ work with: Dick, LeGia, Schwab, Sloan...)
Application of QMC to elliptic PDEs with random diffusion coefficients
– a survey of analysis and implementation, J. FoCM, 2016
Diffusion Model (with a random coefficient and zero Dirichlet BC):
−div[a(x, y) u] = f(x), x ∈ D ⊂ Rd
, for d = 2, 3, y ∈ U := [−1
2, 1
2]N
,
u(x, y) = 0, x ∈ ∂D, y ∈ U
Diffusion coefficient a(x, y) has an infinite parameter KL-type ansatz:
a(x, y) := a0(x) +
j≥1
aj(x, y) := a0(x) +
j≥1
yj ψj(x) , x ∈ D , y ∈ U
5. State-of-the-art:QMC for PDEs with random coefficients
• F. Kuo and D. Nuyens (2011+ work with: Dick, LeGia, Schwab, Sloan...)
Application of QMC to elliptic PDEs with random diffusion coefficients
– a survey of analysis and implementation, J. FoCM, 2016
Diffusion Model (with a random coefficient and zero Dirichlet BC):
−div[a(x, y) u] = f(x), x ∈ D ⊂ Rd
, for d = 2, 3, y ∈ U := [−1
2, 1
2]N
,
u(x, y) = 0, x ∈ ∂D, y ∈ U
Diffusion coefficient a(x, y) has an infinite parameter KL-type ansatz:
a(x, y) := a0(x) +
j≥1
aj(x, y) := a0(x) +
j≥1
yj ψj(x) , x ∈ D , y ∈ U
There exist amin, amax (that play crucial roles in POD/SPOD weights):
0 < amin ≤ a(x, y) ≤ amax < ∞, for all x ∈ D, y ∈ U
Hence, for each fixed y ∈ U, we obtain well-posedness in H1
0(Ω)
ψj: may belong to the KL eigensystem of a covariance operator
6. State-of-the-art:QMC for PDEs with random coefficients
• F. Kuo and D. Nuyens (2011+ work with: Dick, LeGia, Schwab, Sloan...)
Application of QMC to elliptic PDEs with random diffusion coefficients
– a survey of analysis and implementation, J. FoCM, 2016
Diffusion Model (with a random coefficient and zero Dirichlet BC):
−div[a(x, y) u] = f(x), x ∈ D ⊂ Rd
, for d = 2, 3, y ∈ U := [−1
2, 1
2]N
,
u(x, y) = 0, x ∈ ∂D, y ∈ U
Diffusion coefficient a(x, y) has an infinite parameter KL-type ansatz:
a(x, y) := a0(x) +
j≥1
aj(x, y) := a0(x) +
j≥1
yj ψj(x) , x ∈ D , y ∈ U
There exist amin, amax (that play crucial roles in POD/SPOD weights):
0 < amin ≤ a(x, y) ≤ amax < ∞, for all x ∈ D, y ∈ U
Hence, for each fixed y ∈ U, we obtain well-posedness in H1
0(Ω)
ψj: may belong to the KL eigensystem of a covariance operator
• 2014+: General operator form (Dick, LeGia, Kuo, Nuyens, Schwab):
La
u(x, y) :=
La0 + Laj
u(x, y) = f(x), x ∈ D, y ∈ U,
7. Operator theory based diffusion model in heterogeneous media
• The general operator form allows for a large class of linear PDEs:
8. Operator theory based diffusion model in heterogeneous media
• The general operator form allows for a large class of linear PDEs:
For the strongly elliptic diffusion model with the KL-type ansatz:
La0v := −div[a0(x) v], Lajv := −yj div[ψj(x) v],
j≥1
ψj W1,∞ < ∞
9. Operator theory based diffusion model in heterogeneous media
• The general operator form allows for a large class of linear PDEs:
For the strongly elliptic diffusion model with the KL-type ansatz:
La0v := −div[a0(x) v], Lajv := −yj div[ψj(x) v],
j≥1
ψj W1,∞ < ∞
A standard bilinear form b0 : V × V → R for La0 with the mean-field
coefficient a0 > amin
0 (> 0) on D and V = H1
0(D) is sign-definite (coercive)
b0(v, v) := a0 v, v L2(D) :=
D
a0 | v|2
≥ Ccoer(amin
0 ) v 2
V > 0, v ∈ H1
0(D)
10. Operator theory based diffusion model in heterogeneous media
• The general operator form allows for a large class of linear PDEs:
For the strongly elliptic diffusion model with the KL-type ansatz:
La0v := −div[a0(x) v], Lajv := −yj div[ψj(x) v],
j≥1
ψj W1,∞ < ∞
A standard bilinear form b0 : V × V → R for La0 with the mean-field
coefficient a0 > amin
0 (> 0) on D and V = H1
0(D) is sign-definite (coercive)
b0(v, v) := a0 v, v L2(D) :=
D
a0 | v|2
≥ Ccoer(amin
0 ) v 2
V > 0, v ∈ H1
0(D)
Hence, in weak sense, we obtain invertibility of the strongly elliptic
operator La0 and its operator norm [La0]−1
depends on Ccoer
Ccoer plays a crucial role in POD/SPOD weights QMC constructions
11. Operator theory based diffusion model in heterogeneous media
• The general operator form allows for a large class of linear PDEs:
For the strongly elliptic diffusion model with the KL-type ansatz:
La0v := −div[a0(x) v], Lajv := −yj div[ψj(x) v],
j≥1
ψj W1,∞ < ∞
A standard bilinear form b0 : V × V → R for La0 with the mean-field
coefficient a0 > amin
0 (> 0) on D and V = H1
0(D) is sign-definite (coercive)
b0(v, v) := a0 v, v L2(D) :=
D
a0 | v|2
≥ Ccoer(amin
0 ) v 2
V > 0, v ∈ H1
0(D)
Hence, in weak sense, we obtain invertibility of the strongly elliptic
operator La0 and its operator norm [La0]−1
depends on Ccoer
Ccoer plays a crucial role in POD/SPOD weights QMC constructions
State-of-the-art in the general operator theoretic framework for well-
posedness of the model and QMC is to impose the assumption:
(Dick et al., SIAM J Numer. Anal., 2014, 2016 + ...., )
j≥1
[La0]−1
Laj
X→X
< 2
12. Operator theory based diffusion model in heterogeneous media
• The general operator form allows for a large class of linear PDEs:
For the strongly elliptic diffusion model with the KL-type ansatz:
La0v := −div[a0(x) v], Lajv := −yj div[ψj(x) v],
j≥1
ψj W1,∞ < ∞
A standard bilinear form b0 : V × V → R for La0 with the mean-field
coefficient a0 > amin
0 (> 0) on D and V = H1
0(D) is sign-definite (coercive)
b0(v, v) := a0 v, v L2(D) :=
D
a0 | v|2
≥ Ccoer(amin
0 ) v 2
V > 0, v ∈ H1
0(D)
Hence, in weak sense, we obtain invertibility of the strongly elliptic
operator La0 and its operator norm [La0]−1
depends on Ccoer
Ccoer plays a crucial role in POD/SPOD weights QMC constructions
State-of-the-art in the general operator theoretic framework for well-
posedness of the model and QMC is to impose the assumption:
(Dick et al., SIAM J Numer. Anal., 2014, 2016 + ...., )
j≥1
[La0]−1
Laj
X→X
< 2
13. Stochastic wave propagation model in heterogeneous media
• The general operator theory based assumption
j≥1
[La0]−1
Laj
X→X
< 2
14. Stochastic wave propagation model in heterogeneous media
• The general operator theory based assumption
j≥1
[La0]−1
Laj
X→X
< 2
facilities applicability to even a stochastic PDE model with all published
bilinear/sesquilinear forms of La0 that are NOT sign-definite
15. Stochastic wave propagation model in heterogeneous media
• The general operator theory based assumption
j≥1
[La0]−1
Laj
X→X
< 2
facilities applicability to even a stochastic PDE model with all published
bilinear/sesquilinear forms of La0 that are NOT sign-definite
• The sign-indefiniteness in sesquilinear forms can be tackled through the
alternative inf-suf framework. (Used also in QMC papers by Dick et al.,
SIAM J Numer. Anal., 2014, 2016 – a diffusion numerical example)
16. Stochastic wave propagation model in heterogeneous media
• The general operator theory based assumption
j≥1
[La0]−1
Laj
X→X
< 2
facilities applicability to even a stochastic PDE model with all published
bilinear/sesquilinear forms of La0 that are NOT sign-definite
• The sign-indefiniteness in sesquilinear forms can be tackled through the
alternative inf-suf framework. (Used also in QMC papers by Dick et al.,
SIAM J Numer. Anal., 2014, 2016 – a diffusion numerical example)
• Example (frequency-domain wave model): The standard sesquilinear form
in V = H1
(D) for the Helmholtz operator is not coercive (sign-indefinite)
17. Stochastic wave propagation model in heterogeneous media
• The general operator theory based assumption
j≥1
[La0]−1
Laj
X→X
< 2
facilities applicability to even a stochastic PDE model with all published
bilinear/sesquilinear forms of La0 that are NOT sign-definite
• The sign-indefiniteness in sesquilinear forms can be tackled through the
alternative inf-suf framework. (Used also in QMC papers by Dick et al.,
SIAM J Numer. Anal., 2014, 2016 – a diffusion numerical example)
• Example (frequency-domain wave model): The standard sesquilinear form
in V = H1
(D) for the Helmholtz operator is not coercive (sign-indefinite)
• The stochastic Helmholtz PDE model (with wavenumber k) can also be
written in the general operator form:
La0
k v = ∆v + k2
a0v, (L
aj
k v) = k2
yj ψjv, yj ∈ [−1
2, 1
2].
• The stochastic Helmholtz wave propagation model is:
−
La0
k +
j≥1
L
aj
k
u(x, y) = f(x), x ∈ D, y ∈ U, + Absorbing BC on ∂D
18. Application of the general framework: Wavenumber restriction
• For establishing the well-posedness of the stochastic system, for each
y ∈ U, using the general framework, we need to verify the condition
j≥1
[La0]−1
k L
aj
k X→X
< 2
19. Application of the general framework: Wavenumber restriction
• For establishing the well-posedness of the stochastic system, for each
y ∈ U, using the general framework, we need to verify the condition
j≥1
[La0]−1
k L
aj
k X→X
< 2 (0.1)
• Establishing wavenumber-explicit bounds for [La0]−1
is still an open
problem for wave-trapping media with a heterogeneous wave propagation
domain D of interest [quantified by a refractive index a = cext/cD(ω), where
cext, cD are respectively the speed sound/light in the exterior and in D]
20. Application of the general framework: Wavenumber restriction
• For establishing the well-posedness of the stochastic system, for each
y ∈ U, using the general framework, we need to verify the condition
j≥1
[La0]−1
k L
aj
k X→X
< 2 (0.1)
• Establishing wavenumber-explicit bounds for [La0]−1
is still an open
problem for wave-trapping media with a heterogeneous wave propagation
domain D of interest [quantified by a refractive index a = cext/cD(ω), where
cext, cD are respectively the speed sound/light in the exterior and in D]
• For non-trapping media with D (say, star-shaped) the quantity
[La0]−1
depends linearly on k (Baskin..., SIAM J. Math. Anal., 2016)
• [Laj]v = k2
yj ψj v depends quadratically on the wavenumber k
• Hence even to establish well-posedness, the condition (0.1) requires
O(k3
) j≥1 .... < 2 , a severe restriction for practical cases k > 1
21. Application of the general framework: Wavenumber restriction
• For establishing the well-posedness of the stochastic system, for each
y ∈ U, using the general framework, we need to verify the condition
j≥1
[La0]−1
k L
aj
k X→X
< 2 (0.1)
• Establishing wavenumber-explicit bounds for [La0]−1
is still an open
problem for wave-trapping media with a heterogeneous wave propagation
domain D of interest [quantified by a refractive index a = cext/cD(ω), where
cext, cD are respectively the speed sound/light in the exterior and in D]
• For non-trapping media with D (say, star-shaped) the quantity
[La0]−1
depends linearly on k (Baskin..., SIAM J. Math. Anal., 2016)
• [Laj]v = k2
yj ψj v depends quadratically on the wavenumber k
• Hence even to establish well-posedness, the condition (0.1) requires
O(k3
) j≥1 .... < 2 , a severe restriction for practical cases k > 1
• Task: Avoid this restriction. Work on the PDE side or on the QMC side?
• Approach: A breakthrough Helmholtz PDE variational formulation and
a non-standard QMC analysis (WG for QMC part: Ganesh, Kuo, Sloan)
22. Stochastic wave propagation in random heterogeneous media
• Consider non-trapping wave propagation in Rd
, for d = 2, 3, comprising a
heterogeneous Lipschitz medium D with absorbing boundary ∂D
• The medium is described through a random and spatially variable index
of refraction a, modeled by the KL-type ansatz
23. Stochastic wave propagation in random heterogeneous media
• Consider non-trapping wave propagation in Rd
, for d = 2, 3, comprising a
heterogeneous Lipschitz medium D with absorbing boundary ∂D
• The medium is described through a random and spatially variable index
of refraction a, modeled by the KL-type ansatz
• Data: a forcing function f ∈ L2
(D) and boundary function gk ∈ L2
(∂D)
induced by an impinging incident wave (with wavenumber k)
• Randomness: for almost all events ω in the probability space (Ω, A, P),
• Find: an unknown stochastic wave-field u(·, ω) ∈ H1
(D) governed by the
Helmholtz PDE and an absorbing boundary condition:
∆u + k2
a(x, ω)u = −f(x), x ∈ Ω, ω ∈ (Ω, A, P)
∂u
∂ν
(x, ω) − iku(x, ω) = gk(x), x ∈ ∂Ω, ω ∈ (Ω, A, P)
24. Stochastic wave propagation in random heterogeneous media
• Consider non-trapping wave propagation in Rd
, for d = 2, 3, comprising a
heterogeneous Lipschitz medium D with absorbing boundary ∂D
• The medium is described through a random and spatially variable index
of refraction a, modeled by the KL-type ansatz
• Data: a forcing function f ∈ L2
(D) and boundary function gk ∈ L2
(∂D)
induced by an impinging incident wave (with wavenumber k)
• Randomness: for almost all events ω in the probability space (Ω, A, P),
• Find: an unknown stochastic wave-field u(·, ω) ∈ H1
(D) governed by the
Helmholtz PDE and an absorbing boundary condition:
∆u + k2
a(x, ω)u = −f(x), x ∈ Ω, ω ∈ (Ω, A, P)
∂u
∂ν
(x, ω) − iku(x, ω) = gk(x), x ∈ ∂Ω, ω ∈ (Ω, A, P)
• The random coefficient a(x, ω) is parameterized by a vector
y(ω) = (y1(ω), y2(ω), . . .)
.
• For a fixed realization y∗
, with a∗
(x) = a(x, y∗
) consider deterministic model
25. Deterministic wave propagation model in heterogeneous media
∆u(x) + k2
a∗
(x)u(x) = −f(x), x ∈ D
∂u
∂ν
(x) − iku(x) = g(x), x ∈ ∂D
• ν – outward unit normal; Data: f ∈ L2
(D), and g ∈ L2
(∂D)
• 0 < a∗
min ≤ a∗
(x) ≤ a∗
max < ∞, for all x ∈ D
• Literature: There exists a unique solution u ∈ H1
(D)
26. Deterministic wave propagation model in heterogeneous media
∆u(x) + k2
a∗
(x)u(x) = −f(x), x ∈ D
∂u
∂ν
(x) − iku(x) = g(x), x ∈ ∂D
• ν – outward unit normal; Data: f ∈ L2
(D), and g ∈ L2
(∂D)
• 0 < a∗
min ≤ a∗
(x) ≤ a∗
max < ∞, for all x ∈ D
• Literature: There exists a unique solution u ∈ H1
(D)
• Non-trapping media (A weaker non-trapping condition is sufficient.)
27. Deterministic wave propagation model in heterogeneous media
∆u(x) + k2
a∗
(x)u(x) = −f(x), x ∈ D
∂u
∂ν
(x) − iku(x) = g(x), x ∈ ∂D
• ν – outward unit normal; Data: f ∈ L2
(D), and g ∈ L2
(∂D)
• 0 < a∗
min ≤ a∗
(x) ≤ a∗
max < ∞, for all x ∈ D
• Literature: There exists a unique solution u ∈ H1
(D)
• Non-trapping media (A weaker non-trapping condition is sufficient.)
Figure 1: Example star-shaped domain D with refractive index a∗
∈ C1
(D) [but a∗
/∈ C2
(D)], with a∗
min = 1, a∗
max = 2
30. Standard Sign-Indefinite Variational Formulation
• Standard trial and test space: V = H1
(D)
• Multiply by any test function v ∈ V and integrate:
- D(∆u + k2
a∗
u)v d x = D f(x)v d x
31. Standard Sign-Indefinite Variational Formulation
• Standard trial and test space: V = H1
(D)
• Multiply by any test function v ∈ V and integrate:
- D(∆u + k2
a∗
u)v d x = D f(x)v d x
• Apply the absorbing boundary condition to get the variational form:
• Solve: b(u, v) = F(v), for all v ∈ V,
b(u, v) = u, v L2(D) − k2
a∗
u, v L2(Ω) − ik u, v L2(∂D),
F(v) = f, v L2(D) + g, v L2(∂D).
32. Standard Sign-Indefinite Variational Formulation
• Standard trial and test space: V = H1
(D)
• Multiply by any test function v ∈ V and integrate:
- D(∆u + k2
a∗
u)v d x = D f(x)v d x
• Apply the absorbing boundary condition to get the variational form:
• Solve: b(u, v) = F(v), for all v ∈ V,
b(u, v) = u, v L2(D) − k2
a∗
u, v L2(Ω) − ik u, v L2(∂D),
F(v) = f, v L2(D) + g, v L2(∂D).
• The standard formulation is sign-indefinite (for sufficiently large k):
b(v, v) = v, v L2(D) − k2
a∗
v, v L2(D) < 0, v ∈ V
33. Standard Sign-Indefinite Variational Formulation
• Standard trial and test space: V = H1
(D)
• Multiply by any test function v ∈ V and integrate:
- D(∆u + k2
a∗
u)v d x = D f(x)v d x
• Apply the absorbing boundary condition to get the variational form:
• Solve: b(u, v) = F(v), for all v ∈ V,
b(u, v) = u, v L2(D) − k2
a∗
u, v L2(Ω) − ik u, v L2(∂D),
F(v) = f, v L2(D) + g, v L2(∂D).
• The standard formulation is sign-indefinite (for sufficiently large k):
b(v, v) = v, v L2(D) − k2
a∗
v, v L2(D) < 0, v ∈ V
• Because of the above, the Helmholtz PDE was (mis-)termed in many
publications as sign-indefinite and was (almost) accepted in the literature,
until a recent breakthrough was achieved
34. Is the Helmholtz equation really sign-indefinite?
• The above question and the resulting practical issues were considered
recently, for the homogeneous media [with n(x) = 1, x ∈ Ω] Helmholtz
PDE in two SIAM articles:
A. Moiola and E. Spence, SIAM Review, 2014
M. Ganesh and C. Morgenstern, SIAM J. Sci. Comput., 2017
35. Is the Helmholtz equation really sign-indefinite?
• The above question and the resulting practical issues were considered
recently, for the homogeneous media [with n(x) = 1, x ∈ Ω] Helmholtz
PDE in two SIAM articles:
A. Moiola and E. Spence, SIAM Review, 2014
M. Ganesh and C. Morgenstern, SIAM J. Sci. Comput., 2017
• Answer: The homogeneous Helmholtz model is NOT sign-indefinite.
That is,
(i) a natural Helmholtz PDE function space V ⊂ H1
(Ω) and a continuous
sesquilinear form b : V × V → C can be constructed with the property
that b(v, v) ≥ Ccoer v 2
V for all v ∈ V . [Proof with D is star-shaped.]
(ii) any solution u ∈ H1
(Ω) of the Helmholtz model satisfies the associ-
ated coercive variational (weak) formulation of the form
b(u, v) = G(v), for all v ∈ V
• Natural function space for the model with a solution u ∈ H1
(Ω) satisfying
∆u+k2
u = −f in Ω and ∂u
∂ν −iku = gk on ∂Ω, with data f ∈ L2
(Ω), gk ∈ L2
(∂Ω):
V := {v : v ∈ H1
(D), ∆v ∈ L2
(D), v ∈ H1
(∂D),
∂v
∂ν
∈ L2
(∂D)} ⊂ H3/2
(D)
37. Is the heterogeneous Helmholtz model really sign-indefinite?
• Answer with
a construtive continuous variational formulation and consistency anal-
ysis
wavenumber explicit bounds on the coercivity constant Ccoer (needed
for QMC weights, construction, weighted spaces and QMC-FEM )
a practical discrete high-order FEM formulation, a frequency robust
preconditioned FEM, and demonstrate using (parallel) implementation
38. Is the heterogeneous Helmholtz model really sign-indefinite?
• Answer with
a construtive continuous variational formulation and consistency anal-
ysis
wavenumber explicit bounds on the coercivity constant Ccoer (needed
for QMC weights, construction, weighted spaces and QMC-FEM )
a practical discrete high-order FEM formulation, a frequency robust
preconditioned FEM, and demonstrate using (parallel) implementation
39. Is the heterogeneous Helmholtz model really sign-indefinite?
• Answer with
a construtive continuous variational formulation and consistency anal-
ysis
wavenumber explicit bounds on the coercivity constant Ccoer (needed
for QMC weights, construction, weighted spaces and QMC-FEM )
a practical discrete high-order FEM formulation, a frequency robust
preconditioned FEM, and demonstrate using (parallel) implementation
• Done: M. Ganesh and C. Morgenstern, August 2017, Submitted
• The heterogeneous Helmholtz model is NOT sign-indefinite
• The coercivity constant Ccoer for the new sign-definite formulation is in-
dependent of the wavenumber (proved for star-shaped D)
• A high-order FEM with a non-standard preconditioner was developed
• A frequency-robust preconditioned FEM was constructed and implemented
for the sign-definite model
• Parallel implementation/demonstration includes hundreds of wavelengths
geometry D with curved and non-smooth Lipschitz boundaries
40. High-order FEM Sign-definite Approximations and Examples
• Choose a FEM space Vh ⊂ H2
(Ω) spanned by splines of degree p ≥ 2 on a
tessellation (with maximum width h) of Ω.
• Vh is chosen so that the following approximation property holds: For
v ∈ Hs0(Ω), with s0 ≥ 3/2, s = 0, 1, 2 and s < s0,
inf
wh∈Vh
||v − wh||Hs = O(hmin{p+1,s0}−s
)
41. High-order FEM Sign-definite Approximations and Examples
• Choose a FEM space Vh ⊂ H2
(Ω) spanned by splines of degree p ≥ 2 on a
tessellation (with maximum width h) of Ω.
• Vh is chosen so that the following approximation property holds: For
v ∈ Hs0(Ω), with s0 ≥ 3/2, s = 0, 1, 2 and s < s0,
inf
wh∈Vh
||v − wh||Hs = O(hmin{p+1,s0}−s
)
• We simulate low to high-frequency ( 1 to 400 wavelengths problems) with
and without a novel frequency-robust preconditioner for a star-shaped
(below) and a non-star shaped geometry using a spatially variable refrac-
tive index a∗
∈ C1
(D), but a∗
/∈ C2
(D)
42. FEM Accuracy Verifications: Smooth & Non-smooth solutions
• Two test cases (with uh simulated using high-order FEMs with p ≥ 2) :
Smooth exact (wavenumber dependent) solution:
u = u∗,k
∈ Hs0(Ω), for all s0 ≥ 2.
Expected optimal order convergence:
||u∗,k
− uh||Hs(Ω) = O(hp+1−s
), s = 0, 1, 2
43. FEM Accuracy Verifications: Smooth & Non-smooth solutions
• Two test cases (with uh simulated using high-order FEMs with p ≥ 2) :
Smooth exact (wavenumber dependent) solution:
u = u∗,k
∈ Hs0(Ω), for all s0 ≥ 2.
Expected optimal order convergence:
||u∗,k
− uh||Hs(Ω) = O(hp+1−s
), s = 0, 1, 2
Non-smooth exact solution u = u†,k
∈ Hs0(Ω) for s0 with 3/2 ≤ s0 < 2:
Expected optimal order convergence ||u†,k
− uh||Hs(Ω) = O(hs0−s
), s = 0, 1
44. FEM Accuracy Verifications: Smooth & Non-smooth solutions
• Two test cases (with uh simulated using high-order FEMs with p ≥ 2) :
Smooth exact (wavenumber dependent) solution:
u = u∗,k
∈ Hs0(Ω), for all s0 ≥ 2.
Expected optimal order convergence:
||u∗,k
− uh||Hs(Ω) = O(hp+1−s
), s = 0, 1, 2
Non-smooth exact solution u = u†,k
∈ Hs0(Ω) for s0 with 3/2 ≤ s0 < 2:
Expected optimal order convergence ||u†,k
− uh||Hs(Ω) = O(hs0−s
), s = 0, 1
• Smooth exact point-source solution, with source centered at x∗
= (0, 3) :
The input source and boundary functions f and g of the wave propagation
model are chosen so that the exact solution is given by
u∗,k
(x) = Gk(x, x∗
) =
i
4
H
(1)
0 (k| x −x∗
|),
where H
(1)
0 denotes the Hankel function of the first kind of order zero.
48. Sign-definite FEM Optimal O(hs0−s) Verifications: Non-smooth
• Define a function that is NOT in H2
(Ω) and in Hs0(Ω) with 3/2 < s0 < 2:
49. Sign-definite FEM Optimal O(hs0−s) Verifications: Non-smooth
• Define a function that is NOT in H2
(Ω) and in Hs0(Ω) with 3/2 < s0 < 2:
u†,k
(x) = Cu∗,k
(x) m†
(q(x)) , m†
: [0, 1] × [0, 1] → R, with m†
(y) = y
3/2
1 y
3/2
2 ,
where for x = (x1, x2) ∈ Ω, let q : Ω → [0, 1] × [0, 1] with
q(x) = (−0.1x1 + 0.5, 0.5x2 + 0.5)
50. Sign-definite FEM Optimal O(hs0−s) Verifications: Non-smooth
• Define a function that is NOT in H2
(Ω) and in Hs0(Ω) with 3/2 < s0 < 2:
u†,k
(x) = Cu∗,k
(x) m†
(q(x)) , m†
: [0, 1] × [0, 1] → R, with m†
(y) = y
3/2
1 y
3/2
2 ,
where for x = (x1, x2) ∈ Ω, let q : Ω → [0, 1] × [0, 1] with
q(x) = (−0.1x1 + 0.5, 0.5x2 + 0.5)
p=3, L = 5λ
h L2
Error EOC H1
Error EOC
(1/2)4
1.7015e-05 – 3.8796e-04 –
(1/2)5
8.2279e-06 1.05 3.3090e-04 0.23
(1/2)6
2.6762e-06 1.62 1.9650e-04 0.75
(1/2)7
7.1197e-07 1.91 1.0321e-04 0.93
p=4, L = 5λ
51. Sign-definite FEM Optimal O(hs0−s) Verifications: Non-smooth
• Define a function that is NOT in H2
(Ω) and in Hs0(Ω) with 3/2 < s0 < 2:
u†,k
(x) = Cu∗,k
(x) m†
(q(x)) , m†
: [0, 1] × [0, 1] → R, with m†
(y) = y
3/2
1 y
3/2
2 ,
where for x = (x1, x2) ∈ Ω, let q : Ω → [0, 1] × [0, 1] with
q(x) = (−0.1x1 + 0.5, 0.5x2 + 0.5)
p=3, L = 5λ
h L2
Error EOC H1
Error EOC
(1/2)4
1.7015e-05 – 3.8796e-04 –
(1/2)5
8.2279e-06 1.05 3.3090e-04 0.23
(1/2)6
2.6762e-06 1.62 1.9650e-04 0.75
(1/2)7
7.1197e-07 1.91 1.0321e-04 0.93
p=4, L = 5λ
h L2
Error EOC H1
Error EOC
(1/2)4
1.3915e-05 – 3.8780e-04 –
(1/2)5
4.5897e-06 1.60 2.5599e-04 0.60
(1/2)6
1.2443e-06 1.88 1.3777e-04 0.89
(1/2)7
3.2821e-07 1.92 7.1168e-05 0.95
52. High-order FEM Accuracy for High-frequency Simulations
• L2
(Ω)-norm error for the non-smooth problem for various high-frequency
with h = (1/2)7
.
L 50λ 100λ 150λ 200λ
p=2 2.3630e-05 3.1956e-04 2.0659e-03 8.4938e-03
p=3 5.4271e-07 8.7587e-06 4.8182e-05 1.8524e-04
p=4 6.9149e-08 4.8657e-07 3.9483e-06 1.8401e-05
53. High-order FEM Accuracy for High-frequency Simulations
• L2
(Ω)-norm error for the non-smooth problem for various high-frequency
with h = (1/2)7
.
L 50λ 100λ 150λ 200λ
p=2 2.3630e-05 3.1956e-04 2.0659e-03 8.4938e-03
p=3 5.4271e-07 8.7587e-06 4.8182e-05 1.8524e-04
p=4 6.9149e-08 4.8657e-07 3.9483e-06 1.8401e-05
L 250λ 300λ 350λ 400λ
p=2 2.6176e-02 6.7126e-02 1.5155e-01 3.1067e-01
p=3 6.5186e-04 2.2050e-03 6.9045e-03 1.9635e-02
p=4 6.3918e-05 1.9098e-04 5.5490e-04 1.7007e-03
54. A New Class of Frequency-robust Preconditioned FEM
• Consider the complex-shifted heterogeneous model with
Ln
Eu(x) = ∆u + (k2
+ i E)nu
55. A New Class of Frequency-robust Preconditioned FEM
• Consider the complex-shifted heterogeneous model with
Ln
Eu(x) = ∆u + (k2
+ i E)nu
Ln
EuE = −f, x ∈ Ω
∂uE
∂ν
− ikuE = g, x ∈ ∂Ω
We derive an associated preconditioner sesquilinear form using Ln
E and
Ln
Eu = ∆u + (k2
+ i E)nu
56. A New Class of Frequency-robust Preconditioned FEM
• Consider the complex-shifted heterogeneous model with
Ln
Eu(x) = ∆u + (k2
+ i E)nu
Ln
EuE = −f, x ∈ Ω
∂uE
∂ν
− ikuE = g, x ∈ ∂Ω
We derive an associated preconditioner sesquilinear form using Ln
E and
Ln
Eu = ∆u + (k2
+ i E)nu
57. Simulation: Frequency-Independent Precond. FEM Iterations
• Inner iterations required for GMRES(10) with p = 4, h = (1/2)7
, β = 106
E = (1/4)k E = (1/2)k Unprecondtioned
L ITER Time (s) ITER Time (s) ITER Time (s)
50λ 7 312.87 10 386.72 128869 17707.40
100λ 7 284.21 10 387.07 195248 26761.17
150λ 7 282.41 10 432.61 223566 28885.00
200λ 7 283.51 10 388.21 225474 28856.81
250λ 7 309.11 10 385.99 223326 30615.33
300λ 7 283.07 10 432.32 227209 31097.47
350λ 7 285.89 10 390.28 264440 34033.65
400λ 7 281.86 10 391.07 304191 39235.95
58. Simulation: Validation for a Non-star-shaped Geometry
• We use the parameters chosen for a similar star-shaped geometry for the
following non-star-shaped geometry:
Figure 3: The example geometry and refractive index n(x).