Quantization summarizes continuous distributions by calculating a discrete approximation. Among the widely adopted methods for data quantization is Lloyd's algorithm, which partitions the space into Vorono\"i cells, that can be seen as clusters, and constructs a discrete distribution based on their centroids and probabilistic masses. Lloyd's algorithm estimates the optimal centroids in a minimal expected distance sense, but this approach poses significant challenges in scenarios where data evaluation is costly, and relates to rare events. Then, the single cluster associated to no event takes the majority of the probability mass. In this context, a metamodel is required and adapted sampling methods are necessary to increase the precision of the computations on the rare clusters.
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The $\phi$-divergence-based moment method was recently introduced Abdelmalik et al. (2023) for the discretization of the radiative transfer equation. At the continuous level, this method is very close to the entropy-based MN methods and possesses its main properties, i.e. entropy dissipation, rotational invariance and energy conservation. However, the $\phi$-divergence based moment systems are easier to resolve numerically due to the improved conditioning of the discrete equations. Moreover, exact quadrature rules can be used to compute moments of the distribution function, which enables the preservation of energy conservation, entropy dissipation and rotational invariants, discretely. In this paper we consider different variants of the $\phi$-divergence closures that are based on different approximations of the exponential function and the Planck function. We compare the approximation properties of the proposed closures in the numerical benchmarks.
This work is concerned with the uniform accuracy of implicit-explicit backward differentiation formulas for general linear hyperbolic relaxation systems satisfying the structural stability condition proposed previously by the third author. We prove the uniform stability and accuracy of a class of IMEX-BDF schemes discretized spatially by a Fourier spectral method. The result reveals that the accuracy of the fully discretized schemes is independent of the relaxation time in all regimes. It is verified by numerical experiments on several applications to traffic flows, rarefied gas dynamics and kinetic theory.
A finite element based computational scheme is developed and employed to assess a duality based variational approach to the solution of the linear heat and transport PDE in one space dimension and time, and the nonlinear system of ODEs of Euler for the rotation of a rigid body about a fixed point. The formulation turns initial-(boundary) value problems into degenerate elliptic boundary value problems in (space)-time domains representing the Euler-Lagrange equations of suitably designed dual functionals in each of the above problems. We demonstrate reasonable success in approximating solutions of this range of parabolic, hyperbolic, and ODE primal problems, which includes energy dissipation as well as conservation, by a unified dual strategy lending itself to a variational formulation. The scheme naturally associates a family of dual solutions to a unique primal solution; such `gauge invariance' is demonstrated in our computed solutions of the heat and transport equations, including the case of a transient dual solution corresponding to a steady primal solution of the heat equation. Primal evolution problems with causality are shown to be correctly approximated by non-causal dual problems.
In clinical trials of longitudinal continuous outcomes, reference based imputation (RBI) has commonly been applied to handle missing outcome data in settings where the estimand incorporates the effects of intercurrent events, e.g. treatment discontinuation. RBI was originally developed in the multiple imputation framework, however recently conditional mean imputation (CMI) combined with the jackknife estimator of the standard error was proposed as a way to obtain deterministic treatment effect estimates and correct frequentist inference. For both multiple and CMI, a mixed model for repeated measures (MMRM) is often used for the imputation model, but this can be computationally intensive to fit to multiple data sets (e.g. the jackknife samples) and lead to convergence issues with complex MMRM models with many parameters. Therefore, a step-wise approach based on sequential linear regression (SLR) of the outcomes at each visit was developed for the imputation model in the multiple imputation framework, but similar developments in the CMI framework are lacking. In this article, we fill this gap in the literature by proposing a SLR approach to implement RBI in the CMI framework, and justify its validity using theoretical results and simulations. We also illustrate our proposal on a real data application.
Controlling spurious oscillations is crucial for designing reliable numerical schemes for hyperbolic conservation laws. This paper proposes a novel, robust, and efficient oscillation-eliminating discontinuous Galerkin (OEDG) method on general meshes, motivated by the damping technique in [Lu, Liu, and Shu, SIAM J. Numer. Anal., 59:1299-1324, 2021]. The OEDG method incorporates an OE procedure after each Runge-Kutta stage, devised by alternately evolving conventional semidiscrete DG scheme and a damping equation. A novel damping operator is carefully designed to possess scale-invariant and evolution-invariant properties. We rigorously prove optimal error estimates of the fully discrete OEDG method for linear scalar conservation laws. This might be the first generic fully-discrete error estimates for nonlinear DG schemes with automatic oscillation control mechanism. The OEDG method exhibits many notable advantages. It effectively eliminates spurious oscillations for challenging problems across various scales and wave speeds, without problem-specific parameters. It obviates the need for characteristic decomposition in hyperbolic systems. It retains key properties of conventional DG method, such as conservation, optimal convergence rates, and superconvergence. Moreover, it remains stable under normal CFL condition. The OE procedure is non-intrusive, facilitating integration into existing DG codes as an independent module. Its implementation is easy and efficient, involving only simple multiplications of modal coefficients by scalars. The OEDG approach provides new insights into the damping mechanism for oscillation control. It reveals the role of damping operator as a modal filter and establishes close relations between the damping and spectral viscosity techniques. Extensive numerical results confirm the theoretical analysis and validate the effectiveness and advantages of the OEDG method.
In this paper, an innovative Physical Model-driven Neural Network (PMNN) method is proposed to solve time-fractional differential equations. It establishes a temporal iteration scheme based on physical model-driven neural networks which effectively combines deep neural networks (DNNs) with interpolation approximation of fractional derivatives. Specifically, once the fractional differential operator is discretized, DNNs are employed as a bridge to integrate interpolation approximation techniques with differential equations. On the basis of this integration, we construct a neural-based iteration scheme. Subsequently, by training DNNs to learn this temporal iteration scheme, approximate solutions to the differential equations can be obtained. The proposed method aims to preserve the intrinsic physical information within the equations as far as possible. It fully utilizes the powerful fitting capability of neural networks while maintaining the efficiency of the difference schemes for fractional differential equations. Moreover, we validate the efficiency and accuracy of PMNN through several numerical experiments.
We couple the L1 discretization of the Caputo fractional derivative in time with the Galerkin scheme to devise a linear numerical method for the semilinear subdiffusion equation. Two important points that we make are: nonsmooth initial data and time-dependent diffusion coefficient. We prove the stability and convergence of the method under weak assumptions concerning regularity of the diffusivity. We find optimal pointwise in space and global in time errors, which are verified with several numerical experiments.
We propose a finite element discretization for the steady, generalized Navier-Stokes equations for fluids with shear-dependent viscosity, completed with inhomogeneous Dirichlet boundary conditions and an inhomogeneous divergence constraint. We establish (weak) convergence of discrete solutions as well as a priori error estimates for the velocity vector field and the scalar kinematic pressure. Numerical experiments complement the theoretical findings.
We develop sampling algorithms to fit Bayesian hierarchical models, the computational complexity of which scales linearly with the number of observations and the number of parameters in the model. We focus on crossed random effect and nested multilevel models, which are used ubiquitously in applied sciences. The posterior dependence in both classes is sparse: in crossed random effects models it resembles a random graph, whereas in nested multilevel models it is tree-structured. For each class we identify a framework for scalable computation, building on previous work. Methods for crossed models are based on extensions of appropriately designed collapsed Gibbs samplers, where we introduce the idea of local centering; while methods for nested models are based on sparse linear algebra and data augmentation. We provide a theoretical analysis of the proposed algorithms in some simplified settings, including a comparison with previously proposed methodologies and an average-case analysis based on random graph theory. Numerical experiments, including two challenging real data analyses on predicting electoral results and real estate prices, compare with off-the-shelf Hamiltonian Monte Carlo, displaying drastic improvement in performance.
We derive information-theoretic generalization bounds for supervised learning algorithms based on the information contained in predictions rather than in the output of the training algorithm. These bounds improve over the existing information-theoretic bounds, are applicable to a wider range of algorithms, and solve two key challenges: (a) they give meaningful results for deterministic algorithms and (b) they are significantly easier to estimate. We show experimentally that the proposed bounds closely follow the generalization gap in practical scenarios for deep learning.
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