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In this work, we study and extend a class of semi-Lagrangian exponential methods, which combine exponential time integration techniques, suitable for integrating stiff linear terms, with a semi-Lagrangian treatment of nonlinear advection terms. Partial differential equations involving both processes arise for instance in atmospheric circulation models. Through a truncation error analysis, we first show that previously formulated semi-Lagrangian exponential schemes are limited to first-order accuracy due to the discretization of the linear term; we then formulate a new discretization leading to a second-order accurate method. Also, a detailed stability study, both considering a linear stability analysis and an empirical simulation-based one, is conducted to compare several Eulerian and semi-Lagrangian exponential schemes, as well as a well-established semi-Lagrangian semi-implicit method, which is used in operational atmospheric models. Numerical simulations of the shallow-water equations on the rotating sphere, considering standard and challenging benchmark test cases, are performed to assess the orders of convergence, stability properties, and computational cost of each method. The proposed second-order semi-Lagrangian exponential method was shown to be more stable and accurate than the previously formulated schemes of the same class at the expense of larger wall-clock times; however, the method is more stable and has a similar cost compared to the well-established semi-Lagrangian semi-implicit; therefore, it is a competitive candidate for potential operational applications in atmospheric circulation modeling.

In this paper, we investigate the behavior of gradient descent algorithms in physics-informed machine learning methods like PINNs, which minimize residuals connected to partial differential equations (PDEs). Our key result is that the difficulty in training these models is closely related to the conditioning of a specific differential operator. This operator, in turn, is associated to the Hermitian square of the differential operator of the underlying PDE. If this operator is ill-conditioned, it results in slow or infeasible training. Therefore, preconditioning this operator is crucial. We employ both rigorous mathematical analysis and empirical evaluations to investigate various strategies, explaining how they better condition this critical operator, and consequently improve training.

In this paper, we develop a general theory for adaptive nonparametric estimation of the mean function of a non-stationary and nonlinear time series model using deep neural networks (DNNs). We first consider two types of DNN estimators, non-penalized and sparse-penalized DNN estimators, and establish their generalization error bounds for general non-stationary time series. We then derive minimax lower bounds for estimating mean functions belonging to a wide class of nonlinear autoregressive (AR) models that include nonlinear generalized additive AR, single index, and threshold AR models. Building upon the results, we show that the sparse-penalized DNN estimator is adaptive and attains the minimax optimal rates up to a poly-logarithmic factor for many nonlinear AR models. Through numerical simulations, we demonstrate the usefulness of the DNN methods for estimating nonlinear AR models with intrinsic low-dimensional structures and discontinuous or rough mean functions, which is consistent with our theory.

Matching on a low dimensional vector of scalar covariates consists of constructing groups of individuals in which each individual in a group is within a pre-specified distance from an individual in another group. However, matching in high dimensional spaces is more challenging because the distance can be sensitive to implementation details, caliper width, and measurement error of observations. To partially address these problems, we propose to use extensive sensitivity analyses and identify the main sources of variation and bias. We illustrate these concepts by examining the racial disparity in all-cause mortality in the US using the National Health and Nutrition Examination Survey (NHANES 2003-2006). In particular, we match African Americans to Caucasian Americans on age, gender, BMI and objectively measured physical activity (PA). PA is measured every minute using accelerometers for up to seven days and then transformed into an empirical distribution of all of the minute-level observations. The Wasserstein metric is used as the measure of distance between these participant-specific distributions.

In this study, we developed an inverse analysis framework that proposes a microstructure for dual-phase (DP) steel that exhibits high strength and ductility. The inverse analysis method proposed in this study involves repeated random searches on a model that combines a generative adversarial network (GAN), which generates microstructures, and a convolutional neural network (CNN), which predicts the maximum stress and working limit strain from DP steel microstructures. GAN was trained using images of DP steel microstructures generated by the phase-field method. CNN was trained using images of DP steel microstructures, the maximum stress and the working limit strain calculated by the dislocation-crystal plasticity finite element method. The constructed framework made an efficient search for microstructures possible because of a low-dimensional search space by a latent variable of GAN. The multiple deformation modes were considered in this framework, which allowed the required microstructures to be explored under complex deformation modes. A microstructure with a fine grain size was proposed by using the developed framework.

In this study, we introduce Generative Manufacturing Systems (GMS) as a novel approach to effectively manage and coordinate autonomous manufacturing assets, thereby enhancing their responsiveness and flexibility to address a wide array of production objectives and human preferences. Deviating from traditional explicit modeling, GMS employs generative AI, including diffusion models and ChatGPT, for implicit learning from envisioned futures, marking a shift from a model-optimum to a training-sampling decision-making. Through the integration of generative AI, GMS enables complex decision-making through interactive dialogue with humans, allowing manufacturing assets to generate multiple high-quality global decisions that can be iteratively refined based on human feedback. Empirical findings showcase GMS's substantial improvement in system resilience and responsiveness to uncertainties, with decision times reduced from seconds to milliseconds. The study underscores the inherent creativity and diversity in the generated solutions, facilitating human-centric decision-making through seamless and continuous human-machine interactions.

This paper presents a particle-based optimization method designed for addressing minimization problems with equality constraints, particularly in cases where the loss function exhibits non-differentiability or non-convexity. The proposed method combines components from consensus-based optimization algorithm with a newly introduced forcing term directed at the constraint set. A rigorous mean-field limit of the particle system is derived, and the convergence of the mean-field limit to the constrained minimizer is established. Additionally, we introduce a stable discretized algorithm and conduct various numerical experiments to demonstrate the performance of the proposed method.

In this work, we introduce a novel approach to regularization in multivariable regression problems. Our regularizer, called DLoss, penalises differences between the model's derivatives and derivatives of the data generating function as estimated from the training data. We call these estimated derivatives data derivatives. The goal of our method is to align the model to the data, not only in terms of target values but also in terms of the derivatives involved. To estimate data derivatives, we select (from the training data) 2-tuples of input-value pairs, using either nearest neighbour or random, selection. On synthetic and real datasets, we evaluate the effectiveness of adding DLoss, with different weights, to the standard mean squared error loss. The experimental results show that with DLoss (using nearest neighbour selection) we obtain, on average, the best rank with respect to MSE on validation data sets, compared to no regularization, L2 regularization, and Dropout.

In this chapter, we address the challenge of exploring the posterior distributions of Bayesian inverse problems with computationally intensive forward models. We consider various multivariate proposal distributions, and compare them with single-site Metropolis updates. We show how fast, approximate models can be leveraged to improve the MCMC sampling efficiency.

In this paper, to the best of our knowledge, we make the first attempt at studying the parametric semilinear elliptic eigenvalue problems with the parametric coefficient and some power-type nonlinearities. The parametric coefficient is assumed to have an affine dependence on the countably many parameters with an appropriate class of sequences of functions. In this paper, we obtain the upper bound estimation for the mixed derivatives of the ground eigenpairs that has the same form obtained recently for the linear eigenvalue problem. The three most essential ingredients for this estimation are the parametric analyticity of the ground eigenpairs, the uniform boundedness of the ground eigenpairs, and the uniform positive differences between ground eigenvalues of linear operators. All these three ingredients need new techniques and a careful investigation of the nonlinear eigenvalue problem that will be presented in this paper. As an application, considering each parameter as a uniformly distributed random variable, we estimate the expectation of the eigenpairs using a randomly shifted quasi-Monte Carlo lattice rule and show the dimension-independent error bound.