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Vecchia approximation has been widely used to accurately scale Gaussian-process (GP) inference to large datasets, by expressing the joint density as a product of conditional densities with small conditioning sets. We study fixed-domain asymptotic properties of Vecchia-based GP inference for a large class of covariance functions (including Mat\'ern covariances) with boundary conditioning. In this setting, we establish that consistency and asymptotic normality of maximum exact-likelihood estimators imply those of maximum Vecchia-likelihood estimators, and that exact GP prediction can be approximated accurately by Vecchia GP prediction, given that the size of conditioning sets grows polylogarithmically with the data size. Hence, Vecchia-based inference with quasilinear complexity is asymptotically equivalent to exact GP inference with cubic complexity. This also provides a general new result on the screening effect. Our findings are illustrated by numerical experiments, which also show that Vecchia approximation can be more accurate than alternative approaches such as covariance tapering and reduced-rank approximations.

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Moment models with suitable closure can lead to accurate and computationally efficient solvers for particle transport. Hence, we propose a new asymptotic preserving scheme for the M1 model of linear transport that works uniformly for any Knudsen number. Our idea is to apply the M1 closure at the numerical level to an existing asymptotic preserving scheme for the corresponding kinetic equation, namely the Unified Gas Kinetic scheme (UGKS) originally proposed in [27] and extended to linear transport in [24]. In order to ensure the moments realizability in this new scheme, the UGKS positivity needs to be maintained. We propose a new density reconstruction in time to obtain this property. A second order extension is also suggested and validated. Several test cases show the performances of this new scheme.

Image information is restricted by the dynamic range of the detector, which can be addressed using multi-exposure image fusion (MEF). The conventional MEF approach employed in ptychography is often inadequate under conditions of low signal-to-noise ratio (SNR) or variations in illumination intensity. To address this, we developed a Bayesian approach for MEF based on a modified Poisson noise model that considers the background and saturation. Our method outperforms conventional MEF under challenging experimental conditions, as demonstrated by the synthetic and experimental data. Furthermore, this method is versatile and applicable to any imaging scheme requiring high dynamic range (HDR).

Fourth-order variational inequalities are encountered in various scientific and engineering disciplines, including elliptic optimal control problems and plate obstacle problems. In this paper, we consider additive Schwarz methods for solving fourth-order variational inequalities. Based on a unified framework of various finite element methods for fourth-order variational inequalities, we develop one- and two-level additive Schwarz methods. We prove that the two-level method is scalable in the sense that the convergence rate of the method depends on $H/h$ and $H/\delta$ only, where $h$ and $H$ are the typical diameters of an element and a subdomain, respectively, and $\delta$ measures the overlap among the subdomains. This proof relies on a new nonlinear positivity-preserving coarse interpolation operator, the construction of which was previously unknown. To the best of our knowledge, this analysis represents the first investigation into the scalability of the two-level additive Schwarz method for fourth-order variational inequalities. Our theoretical results are verified by numerical experiments.

This work presents the cubature scheme for the fitting of spatio-temporal Poisson point processes. The methodology is implemented in the R Core Team (2024) package stopp (D'Angelo and Adelfio, 2023), published on the Comprehensive R Archive Network (CRAN) and available from //CRAN.R-project.org/package=stopp. Since the number of dummy points should be sufficient for an accurate estimate of the likelihood, numerical experiments are currently under development to give guidelines on this aspect.

Regression models that incorporate smooth functions of predictor variables to explain the relationships with a response variable have gained widespread usage and proved successful in various applications. By incorporating smooth functions of predictor variables, these models can capture complex relationships between the response and predictors while still allowing for interpretation of the results. In situations where the relationships between a response variable and predictors are explored, it is not uncommon to assume that these relationships adhere to certain shape constraints. Examples of such constraints include monotonicity and convexity. The scam package for R has become a popular package to carry out the full fitting of exponential family generalized additive modelling with shape restrictions on smooths. The paper aims to extend the existing framework of shape-constrained generalized additive models (SCAM) to accommodate smooth interactions of covariates, linear functionals of shape-constrained smooths and incorporation of residual autocorrelation. The methods described in this paper are implemented in the recent version of the package scam, available on the Comprehensive R Archive Network (CRAN).

In logistic regression modeling, Firth's modified estimator is widely used to address the issue of data separation, which results in the nonexistence of the maximum likelihood estimate. Firth's modified estimator can be formulated as a penalized maximum likelihood estimator in which Jeffreys' prior is adopted as the penalty term. Despite its widespread use in practice, the formal verification of the corresponding estimate's existence has not been established. In this study, we establish the existence theorem of Firth's modified estimate in binomial logistic regression models, assuming only the full column rankness of the design matrix. We also discuss other binomial regression models obtained through alternating link functions and prove the existence of similar penalized maximum likelihood estimates for such models.

Machine learning (ML) methods, which fit to data the parameters of a given parameterized model class, have garnered significant interest as potential methods for learning surrogate models for complex engineering systems for which traditional simulation is expensive. However, in many scientific and engineering settings, generating high-fidelity data on which to train ML models is expensive, and the available budget for generating training data is limited. ML models trained on the resulting scarce high-fidelity data have high variance and are sensitive to vagaries of the training data set. We propose a new multifidelity training approach for scientific machine learning that exploits the scientific context where data of varying fidelities and costs are available; for example high-fidelity data may be generated by an expensive fully resolved physics simulation whereas lower-fidelity data may arise from a cheaper model based on simplifying assumptions. We use the multifidelity data to define new multifidelity Monte Carlo estimators for the unknown parameters of linear regression models, and provide theoretical analyses that guarantee the approach's accuracy and improved robustness to small training budgets. Numerical results verify the theoretical analysis and demonstrate that multifidelity learned models trained on scarce high-fidelity data and additional low-fidelity data achieve order-of-magnitude lower model variance than standard models trained on only high-fidelity data of comparable cost. This illustrates that in the scarce data regime, our multifidelity training strategy yields models with lower expected error than standard training approaches.

Backtracking linesearch is the de facto approach for minimizing continuously differentiable functions with locally Lipschitz gradient. In recent years, it has been shown that in the convex setting it is possible to avoid linesearch altogether, and to allow the stepsize to adapt based on a local smoothness estimate without any backtracks or evaluations of the function value. In this work we propose an adaptive proximal gradient method, adaPG, that uses novel estimates of the local smoothness modulus which leads to less conservative stepsize updates and that can additionally cope with nonsmooth terms. This idea is extended to the primal-dual setting where an adaptive three-term primal-dual algorithm, adaPD, is proposed which can be viewed as an extension of the PDHG method. Moreover, in this setting the "essentially" fully adaptive variant adaPD$^+$ is proposed that avoids evaluating the linear operator norm by invoking a backtracking procedure, that, remarkably, does not require extra gradient evaluations. Numerical simulations demonstrate the effectiveness of the proposed algorithms compared to the state of the art.

In logistic regression modeling, Firth's modified estimator is widely used to address the issue of data separation, which results in the nonexistence of the maximum likelihood estimate. Firth's modified estimator can be formulated as a penalized maximum likelihood estimator in which Jeffreys' prior is adopted as the penalty term. Despite its widespread use in practice, the formal verification of the corresponding estimate's existence has not been established. In this study, we establish the existence theorem of Firth's modified estimate in binomial logistic regression models, assuming only the full column rankness of the design matrix. We also discuss multinomial logistic regression models. Unlike the binomial regression case, we show through an example that the Jeffreys-prior penalty term does not necessarily diverge to negative infinity as the parameter diverges.

We propose an operator learning approach to accelerate geometric Markov chain Monte Carlo (MCMC) for solving infinite-dimensional nonlinear Bayesian inverse problems. While geometric MCMC employs high-quality proposals that adapt to posterior local geometry, it requires computing local gradient and Hessian information of the log-likelihood, incurring a high cost when the parameter-to-observable (PtO) map is defined through expensive model simulations. We consider a delayed-acceptance geometric MCMC method driven by a neural operator surrogate of the PtO map, where the proposal is designed to exploit fast surrogate approximations of the log-likelihood and, simultaneously, its gradient and Hessian. To achieve a substantial speedup, the surrogate needs to be accurate in predicting both the observable and its parametric derivative (the derivative of the observable with respect to the parameter). Training such a surrogate via conventional operator learning using input--output samples often demands a prohibitively large number of model simulations. In this work, we present an extension of derivative-informed operator learning [O'Leary-Roseberry et al., J. Comput. Phys., 496 (2024)] using input--output--derivative training samples. Such a learning method leads to derivative-informed neural operator (DINO) surrogates that accurately predict the observable and its parametric derivative at a significantly lower training cost than the conventional method. Cost and error analysis for reduced basis DINO surrogates are provided. Numerical studies on PDE-constrained Bayesian inversion demonstrate that DINO-driven MCMC generates effective posterior samples 3--9 times faster than geometric MCMC and 60--97 times faster than prior geometry-based MCMC. Furthermore, the training cost of DINO surrogates breaks even after collecting merely 10--25 effective posterior samples compared to geometric MCMC.

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