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In this paper, we develop a fully conservative, positivity-preserving, and entropy-bounded discontinuous Galerkin scheme for simulating the chemically reacting, compressible Euler equations with complex thermodynamics. The proposed formulation is an extension of the conservative, high-order numerical method previously developed by Johnson and Kercher [J. Comput. Phys., 423 (2020), 109826] that maintains pressure equilibrium between adjacent elements. In this first part of our two-part paper, we focus on the one-dimensional case. Our methodology is rooted in the minimum entropy principle satisfied by entropy solutions to the multicomponent, compressible Euler equations, which was proved by Gouasmi et al. [ESAIM: Math. Model. Numer. Anal., 54 (2020), 373--389] for nonreacting flows. We first show that the minimum entropy principle holds in the reacting case as well. Next, we introduce the ingredients required for the solution to have nonnegative species concentrations, positive density, positive pressure, and bounded entropy. We also discuss how to retain the aforementioned ability to preserve pressure equilibrium between elements. Operator splitting is employed to handle stiff chemical reactions. To guarantee satisfaction of the minimum entropy principle in the reaction step, we develop an entropy-stable discontinuous Galerkin method based on diagonal-norm summation-by-parts operators for solving ordinary differential equations. The developed formulation is used to compute canonical one-dimensional test cases, namely thermal-bubble advection, multicomponent shock-tube flow, and a moving hydrogen-oxygen detonation wave with detailed chemistry. We find that the enforcement of an entropy bound can considerably reduce the large-scale nonlinear instabilities that emerge when only the positivity property is enforced, to an even greater extent than in the monocomponent, calorically perfect case.

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In various applied areas such as reliability engineering, molecular biology, finance, etc., the measure of uncertainty of a probability distribution plays an important role. In the present work, we consider the estimation of a function of the scale parameter, namely entropy of several exponential distributions with unknown and unequal location parameters with a common scale parameter under a general class of bowl-shaped location invariant loss functions. The inadmissibility of the minimum risk invariant estimator (MRIE) is proved by deriving a non-smooth improved estimator. Also, we have obtained a smooth estimator which improves upon the MRIE. As an application, we have obtained explicit expressions of improved estimators for two special loss functions: squared error loss and linex loss. It is further shown that these estimators can be derived for four important sampling schemes: (i) complete and i.i.d. sample, (ii) record values, (iii) type-II censoring, and (iv) progressive Type-II censoring. Finally, a simulation study was carried out to compare the risk performance of the proposed estimators.

We consider signal source localization from range-difference measurements. First, we give some readily-checked conditions on measurement noises and sensor deployment to guarantee the asymptotic identifiability of the model and show the consistency and asymptotic normality of the maximum likelihood (ML) estimator. Then, we devise an estimator that owns the same asymptotic property as the ML one. Specifically, we prove that the negative log-likelihood function converges to a function, which has a unique minimum and positive-definite Hessian at the true source's position. Hence, it is promising to execute local iterations, e.g., the Gauss-Newton (GN) algorithm, following a consistent estimate. The main issue involved is obtaining a preliminary consistent estimate. To this aim, we construct a linear least-squares problem via algebraic operation and constraint relaxation and obtain a closed-form solution. We then focus on deriving and eliminating the bias of the linear least-squares estimator, which yields an asymptotically unbiased (thus consistent) estimate. Noting that the bias is a function of the noise variance, we further devise a consistent noise variance estimator which involves $3$-order polynomial rooting. Based on the preliminary consistent location estimate, we prove that a one-step GN iteration suffices to achieve the same asymptotic property as the ML estimator. Simulation results demonstrate the superiority of our proposed algorithm in the large sample case.

This work considers Gaussian process interpolation with a periodized version of the Mat{\'e}rn covariance function introduced by Stein (22, Section 6.7). Convergence rates are studied for the joint maximum likelihood estimation of the regularity and the amplitude parameters when the data is sampled according to the model. The mean integrated squared error is also analyzed with fixed and estimated parameters, showing that maximum likelihood estimation yields asymptotically the same error as if the ground truth was known. Finally, the case where the observed function is a fixed deterministic element of a Sobolev space of continuous functions is also considered, suggesting that bounding assumptions on some parameters can lead to different estimates.

Backward Stochastic Differential Equations (BSDEs) have been widely employed in various areas of social and natural sciences, such as the pricing and hedging of financial derivatives, stochastic optimal control problems, optimal stopping problems and gene expression. Most BSDEs cannot be solved analytically and thus numerical methods must be applied to approximate their solutions. There have been a variety of numerical methods proposed over the past few decades as well as many more currently being developed. For the most part, they exist in a complex and scattered manner with each requiring a variety of assumptions and conditions. The aim of the present work is thus to systematically survey various numerical methods for BSDEs, and in particular, compare and categorize them, for further developments and improvements. To achieve this goal, we focus primarily on the core features of each method based on an extensive collection of 333 references: the main assumptions, the numerical algorithm itself, key convergence properties and advantages and disadvantages, to provide an up-to-date coverage of numerical methods for BSDEs, with insightful summaries of each and a useful comparison and categorization.

We use trivariate spline functions for the numerical solution of the Dirichlet problem of the 3D elliptic Monge-Amp\'ere equation. Mainly we use the spline collocation method introduced in [SIAM J. Numerical Analysis, 2405-2434,2022] to numerically solve iterative Poisson equations and use an averaged algorithm to ensure the convergence of the iterations. We shall also establish the rate of convergence under a sufficient condition and provide some numerical evidence to show the numerical rates. Then we present many computational results to demonstrate that this approach works very well. In particular, we tested many known convex solutions as well as nonconvex solutions over convex and nonconvex domains and compared them with several existing numerical methods to show the efficiency and effectiveness of our approach.

In this paper, we investigate the problem of system identification for autonomous Markov jump linear systems (MJS) with complete state observations. We propose switched least squares method for identification of MJS, show that this method is strongly consistent, and derive data-dependent and data-independent rates of convergence. In particular, our data-independent rate of convergence shows that, almost surely, the system identification error is $\mathcal{O}\big(\sqrt{\log(T)/T} \big)$ where $T$ is the time horizon. These results show that switched least squares method for MJS has the same rate of convergence as least squares method for autonomous linear systems. We derive our results by imposing a general stability assumption on the model called stability in the average sense. We show that stability in the average sense is a weaker form of stability compared to the stability assumptions commonly imposed in the literature. We present numerical examples to illustrate the performance of the proposed method.

This paper addresses the following question: given a sample of i.i.d. random variables with finite variance, can one construct an estimator of the unknown mean that performs nearly as well as if the data were normally distributed? One of the most popular examples achieving this goal is the median of means estimator. However, it is inefficient in a sense that the constants in the resulting bounds are suboptimal. We show that a permutation-invariant modification of the median of means estimator admits deviation guarantees that are sharp up to $1+o(1)$ factor if the underlying distribution possesses more than $\frac{3+\sqrt{5}}{2}\approx 2.62$ moments and is absolutely continuous with respect to the Lebesgue measure. This result yields potential improvements for a variety of algorithms that rely on the median of means estimator as a building block. At the core of our argument is are the new deviation inequalities for the U-statistics of order that is allowed to grow with the sample size, a result that could be of independent interest.

Model complexity remains a key feature of any proposed data generating mechanism. Measures of complexity can be extended to complex patterns such as signals in time and graphs. In this paper, we are concerned with the well-studied class of exchangeable graphs. Exchangeability for graphs implies a distributional invariance under node permutation and is a suitable default model that can widely be used for network data. For this well-studied class of graphs, we make a choice to quantify model complexity based on the (Shannon) entropy, resulting in graphon entropy. We estimate the entropy of the generating mechanism of a given graph, instead of choosing a specific graph descriptor suitable only for one graph generating mechanism. In this manner, we naturally consider the global properties of a graph and capture its important graph-theoretic and topological properties. Under an increasingly complex set of generating mechanisms, we propose a set of estimators of graphon entropy as measures of complexity for real-world graphs. We determine the large--sample properties of such estimators and discuss their usage for characterizing evolving real-world graphs.

In this paper, we present a numerical strategy to check the strong stability (or GKS-stability) of one-step explicit finite difference schemes for the one-dimensional advection equation with an inflow boundary condition. The strong stability is studied using the Kreiss-Lopatinskii theory. We introduce a new tool, the intrinsic Kreiss-Lopatinskii determinant, which possesses the same regularity as the vector bundle of discrete stable solutions. By applying standard results of complex analysis to this determinant, we are able to relate the strong stability of numerical schemes to the computation of a winding number, which is robust and cheap. The study is illustrated with the O3 scheme and the fifth-order Lax-Wendroff (LW5) scheme together with a reconstruction procedure at the boundary.

Recently, graph neural networks have been gaining a lot of attention to simulate dynamical systems due to their inductive nature leading to zero-shot generalizability. Similarly, physics-informed inductive biases in deep-learning frameworks have been shown to give superior performance in learning the dynamics of physical systems. There is a growing volume of literature that attempts to combine these two approaches. Here, we evaluate the performance of thirteen different graph neural networks, namely, Hamiltonian and Lagrangian graph neural networks, graph neural ODE, and their variants with explicit constraints and different architectures. We briefly explain the theoretical formulation highlighting the similarities and differences in the inductive biases and graph architecture of these systems. We evaluate these models on spring, pendulum, gravitational, and 3D deformable solid systems to compare the performance in terms of rollout error, conserved quantities such as energy and momentum, and generalizability to unseen system sizes. Our study demonstrates that GNNs with additional inductive biases, such as explicit constraints and decoupling of kinetic and potential energies, exhibit significantly enhanced performance. Further, all the physics-informed GNNs exhibit zero-shot generalizability to system sizes an order of magnitude larger than the training system, thus providing a promising route to simulate large-scale realistic systems.

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