We are interested in obtaining approximate solutions to parameterized linear systems of the form $A(\mu) x(\mu) = b$ for many values of the parameter $\mu$. Here $A(\mu)$ is large, sparse, and nonsingular, with a nonlinear analytic dependence on $\mu$. Our approach is based on a companion linearization for parameterized linear systems. The companion matrix is similar to the operator in the infinite Arnoldi method, and we use this to adapt the flexible GMRES setting. In this way, our method returns a function $\tilde{x}(\mu)$ which is cheap to evaluate for different $\mu$, and the preconditioner is applied only approximately. This novel approach leads to increased freedom to carry out the action of the operation inexactly, which provides performance improvement over the method infinite GMRES, without a loss of accuracy in general. We show that the error of our method is estimated based on the magnitude of the parameter $\mu$, the inexactness of the preconditioning, and the spectrum of the linear companion matrix. Numerical examples from a finite element discretization of a Helmholtz equation with a parameterized material coefficient illustrate the competitiveness of our approach. The simulations are reproducible and publicly available online.
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Regression modeling is the workhorse of statistics and there is a vast literature on estimation of the regression function. It is realized in recent years that in regression analysis the ultimate aim may be the estimation of a level set of the regression function, instead of the estimation of the regression function itself. The published work on estimation of the level set has thus far focused mainly on nonparametric regression, especially on point estimation. In this paper, the construction of confidence sets for the level set of linear regression is considered. In particular, $1-\alpha$ level upper, lower and two-sided confidence sets are constructed for the normal-error linear regression. It is shown that these confidence sets can be easily constructed from the corresponding $1-\alpha$ level simultaneous confidence bands. It is also pointed out that the construction method is readily applicable to other parametric regression models where the mean response depends on a linear predictor through a monotonic link function, which include generalized linear models, linear mixed models and generalized linear mixed models. Therefore the method proposed in this paper is widely applicable. Examples are given to illustrate the method.
We study the problem of variance estimation in general graph-structured problems. First, we develop a linear time estimator for the homoscedastic case that can consistently estimate the variance in general graphs. We show that our estimator attains minimax rates for the chain and 2D grid graphs when the mean signal has a total variation with canonical scaling. Furthermore, we provide general upper bounds on the mean squared error performance of the fused lasso estimator in general graphs under a moment condition and a bound on the tail behavior of the errors. These upper bounds allow us to generalize for broader classes of distributions, such as sub-Exponential, many existing results on the fused lasso that are only known to hold with the assumption that errors are sub-Gaussian random variables. Exploiting our upper bounds, we then study a simple total variation regularization estimator for estimating the signal of variances in the heteroscedastic case. Our results show that the variance estimator attains minimax rates for estimating signals of bounded variation in grid graphs, $K$-nearest neighbor graphs with very mild assumptions, and it is consistent for estimating the variances in any connected graph. In addition, extensive numerical results show that our proposed estimators perform reasonably well in a variety of graph-structured models.
In two dimensions, we propose and analyze an a posteriori error estimator for the acoustic spectral problem based on the virtual element method in $\H(\div;\Omega)$. Introducing an auxiliary unknown, we use the fact that the primal formulation of the acoustic problem is equivalent to a mixed formulation, in order to prove a superconvergence result, necessary to despise high order terms. Under the virtual element approach, we prove that our local indicator is reliable and globally efficient in the $\L^2$-norm. We provide numerical results to assess the performance of the proposed error estimator.
Heterogeneity is a dominant factor in the behaviour of many biological processes. Despite this, it is common for mathematical and statistical analyses to ignore biological heterogeneity as a source of variability in experimental data. Therefore, methods for exploring the identifiability of models that explicitly incorporate heterogeneity through variability in model parameters are relatively underdeveloped. We develop a new likelihood-based framework, based on moment matching, for inference and identifiability analysis of differential equation models that capture biological heterogeneity through parameters that vary according to probability distributions. As our novel method is based on an approximate likelihood function, it is highly flexible; we demonstrate identifiability analysis using both a frequentist approach based on profile likelihood, and a Bayesian approach based on Markov-chain Monte Carlo. Through three case studies, we demonstrate our method by providing a didactic guide to inference and identifiability analysis of hyperparameters that relate to the statistical moments of model parameters from independent observed data. Our approach has a computational cost comparable to analysis of models that neglect heterogeneity, a significant improvement over many existing alternatives. We demonstrate how analysis of random parameter models can aid better understanding of the sources of heterogeneity from biological data.
Hierarchical models represent a challenging setting for inference algorithms. MCMC methods struggle to scale to large models with many local variables and observations, and variational inference (VI) may fail to provide accurate approximations due to the use of simple variational families. Some variational methods (e.g. importance weighted VI) integrate Monte Carlo methods to give better accuracy, but these tend to be unsuitable for hierarchical models, as they do not allow for subsampling and their performance tends to degrade for high dimensional models. We propose a new family of variational bounds for hierarchical models, based on the application of tightening methods (e.g. importance weighting) separately for each group of local random variables. We show that our approach naturally allows the use of subsampling to get unbiased gradients, and that it fully leverages the power of methods that build tighter lower bounds by applying them independently in lower dimensional spaces, leading to better results and more accurate posterior approximations than relevant baselines.
Stochastic gradient algorithms are widely used for both optimization and sampling in large-scale learning and inference problems. However, in practice, tuning these algorithms is typically done using heuristics and trial-and-error rather than rigorous, generalizable theory. To address this gap between theory and practice, we novel insights into the effect of tuning parameters by characterizing the large-sample behavior of iterates of a very general class of preconditioned stochastic gradient algorithms with fixed step size. In the optimization setting, our results show that iterate averaging with a large fixed step size can result in statistically efficient approximation of the (local) M-estimator. In the sampling context, our results show that with appropriate choices of tuning parameters, the limiting stationary covariance can match either the Bernstein--von Mises limit of the posterior, adjustments to the posterior for model misspecification, or the asymptotic distribution of the MLE; and that with a naive tuning the limit corresponds to none of these. Moreover, we argue that an essentially independent sample from the stationary distribution can be obtained after a fixed number of passes over the dataset. We validate our asymptotic results in realistic finite-sample regimes via several experiments using simulated and real data. Overall, we demonstrate that properly tuned stochastic gradient algorithms with constant step size offer a computationally efficient and statistically robust approach to obtaining point estimates or posterior-like samples.
We study \textit{rescaled gradient dynamical systems} in a Hilbert space $\mathcal{H}$, where implicit discretization in a finite-dimensional Euclidean space leads to high-order methods for solving monotone equations (MEs). Our framework can be interpreted as a natural generalization of celebrated dual extrapolation method~\citep{Nesterov-2007-Dual} from first order to high order via appeal to the regularization toolbox of optimization theory~\citep{Nesterov-2021-Implementable, Nesterov-2021-Inexact}. More specifically, we establish the existence and uniqueness of a global solution and analyze the convergence properties of solution trajectories. We also present discrete-time counterparts of our high-order continuous-time methods, and we show that the $p^{th}$-order method achieves an ergodic rate of $O(k^{-(p+1)/2})$ in terms of a restricted merit function and a pointwise rate of $O(k^{-p/2})$ in terms of a residue function. Under regularity conditions, the restarted version of $p^{th}$-order methods achieves local convergence with the order $p \geq 2$. Notably, our methods are \textit{optimal} since they have matched the lower bound established for solving the monotone equation problems under a standard linear span assumption~\citep{Lin-2022-Perseus}.
This paper settles an open and challenging question pertaining to the design of simple high-order regularization methods for solving smooth and monotone variational inequalities (VIs). A VI involves finding $x^\star \in \mathcal{X}$ such that $\langle F(x), x - x^\star\rangle \geq 0$ for all $x \in \mathcal{X}$ and we consider the setting where $F: \mathbb{R}^d \mapsto \mathbb{R}^d$ is smooth with up to $(p-1)^{th}$-order derivatives. For $p = 2$,~\citet{Nesterov-2006-Constrained} extended the cubic regularized Newton's method to VIs with a global rate of $O(\epsilon^{-1})$.~\citet{Monteiro-2012-Iteration} proposed another second-order method which achieved an improved rate of $O(\epsilon^{-2/3}\log(1/\epsilon))$, but this method required a nontrivial binary search procedure as an inner loop. High-order methods based on similar binary search procedures have been further developed and shown to achieve a rate of $O(\epsilon^{-2/(p+1)}\log(1/\epsilon))$. However, such search procedure can be computationally prohibitive in practice and the problem of finding a simple high-order regularization methods remains as an open and challenging question in optimization theory. We propose a $p^{th}$-order method that does \textit{not} require any binary search procedure and prove that it can converge to a weak solution at a global rate of $O(\epsilon^{-2/(p+1)})$. A lower bound of $\Omega(\epsilon^{-2/(p+1)})$ is also established to show that our method is optimal in the monotone setting. A version with restarting attains a global linear and local superlinear convergence rate for smooth and strongly monotone VIs. Moreover, our method can achieve a global rate of $O(\epsilon^{-2/p})$ for solving smooth and non-monotone VIs satisfying the Minty condition; moreover, the restarted version again attains a global linear and local superlinear convergence rate if the strong Minty condition holds.
Support vector machine (SVM) is a powerful classification method that has achieved great success in many fields. Since its performance can be seriously impaired by redundant covariates, model selection techniques are widely used for SVM with high dimensional covariates. As an alternative to model selection, significant progress has been made in the area of model averaging in the past decades. Yet no frequentist model averaging method was considered for SVM. This work aims to fill the gap and to propose a frequentist model averaging procedure for SVM which selects the optimal weight by cross validation. Even when the number of covariates diverges at an exponential rate of the sample size, we show asymptotic optimality of the proposed method in the sense that the ratio of its hinge loss to the lowest possible loss converges to one. We also derive the convergence rate which provides more insights to model averaging. Compared to model selection methods of SVM which require a tedious but critical task of tuning parameter selection, the model averaging method avoids the task and shows promising performances in the empirical studies.
Since deep neural networks were developed, they have made huge contributions to everyday lives. Machine learning provides more rational advice than humans are capable of in almost every aspect of daily life. However, despite this achievement, the design and training of neural networks are still challenging and unpredictable procedures. To lower the technical thresholds for common users, automated hyper-parameter optimization (HPO) has become a popular topic in both academic and industrial areas. This paper provides a review of the most essential topics on HPO. The first section introduces the key hyper-parameters related to model training and structure, and discusses their importance and methods to define the value range. Then, the research focuses on major optimization algorithms and their applicability, covering their efficiency and accuracy especially for deep learning networks. This study next reviews major services and toolkits for HPO, comparing their support for state-of-the-art searching algorithms, feasibility with major deep learning frameworks, and extensibility for new modules designed by users. The paper concludes with problems that exist when HPO is applied to deep learning, a comparison between optimization algorithms, and prominent approaches for model evaluation with limited computational resources.
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