The Kuznetsov equation is a classical wave model of acoustics that incorporates quadratic gradient nonlinearities. When its strong damping vanishes, it undergoes a singular behavior change, switching from a parabolic-like to a hyperbolic quasilinear evolution. In this work, we establish for the first time the optimal error bounds for its finite element approximation as well as a semi-implicit fully discrete approximation that are robust with respect to the vanishing damping parameter. The core of the new arguments lies in devising energy estimates directly for the error equation where one can more easily exploit the polynomial structure of the nonlinearities and compensate inverse estimates with smallness conditions on the error. Numerical experiments are included to illustrate the theoretical results.
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The solution approximation for partial differential equations (PDEs) can be substantially improved using smooth basis functions. The recently introduced mollified basis functions are constructed through mollification, or convolution, of cell-wise defined piecewise polynomials with a smooth mollifier of certain characteristics. The properties of the mollified basis functions are governed by the order of the piecewise functions and the smoothness of the mollifier. In this work, we exploit the high-order and high-smoothness properties of the mollified basis functions for solving PDEs through the point collocation method. The basis functions are evaluated at a set of collocation points in the domain. In addition, boundary conditions are imposed at a set of boundary collocation points distributed over the domain boundaries. To ensure the stability of the resulting linear system of equations, the number of collocation points is set larger than the total number of basis functions. The resulting linear system is overdetermined and is solved using the least square technique. The presented numerical examples confirm the convergence of the proposed approximation scheme for Poisson, linear elasticity, and biharmonic problems. We study in particular the influence of the mollifier and the spatial distribution of the collocation points.
We give a new lower bound for the minimal dispersion of a point set in the unit cube and its inverse function in the high dimension regime. This is done by considering only a very small class of test boxes, which allows us to reduce bounding the dispersion to a problem in extremal set theory. Specifically, we translate a lower bound on the size of $r$-cover-free families to a lower bound on the inverse of the minimal dispersion of a point set. The lower bound we obtain matches the recently obtained upper bound on the minimal dispersion up to logarithmic terms.
We introduce a fine-grained framework for uncertainty quantification of predictive models under distributional shifts. This framework distinguishes the shift in covariate distributions from that in the conditional relationship between the outcome ($Y$) and the covariates ($X$). We propose to reweight the training samples to adjust for an identifiable covariate shift while protecting against worst-case conditional distribution shift bounded in an $f$-divergence ball. Based on ideas from conformal inference and distributionally robust learning, we present an algorithm that outputs (approximately) valid and efficient prediction intervals in the presence of distributional shifts. As a use case, we apply the framework to sensitivity analysis of individual treatment effects with hidden confounding. The proposed methods are evaluated in simulation studies and three real data applications, demonstrating superior robustness and efficiency compared with existing benchmarks.
Regular resolution is a refinement of the resolution proof system requiring that no variable be resolved on more than once along any path in the proof. It is known that there exist sequences of formulas that require exponential-size proofs in regular resolution while admitting polynomial-size proofs in resolution. Thus, with respect to the usual notion of simulation, regular resolution is separated from resolution. An alternative, and weaker, notion for comparing proof systems is that of an "effective simulation," which allows the translation of the formula along with the proof when moving between proof systems. We prove that regular resolution is equivalent to resolution under effective simulations. As a corollary, we recover in a black-box fashion a recent result on the hardness of automating regular resolution.
We propose a high order numerical scheme for time-dependent first order Hamilton--Jacobi--Bellman equations. In particular we propose to combine a semi-Lagrangian scheme with a Central Weighted Non-Oscillatory reconstruction. We prove a convergence result in the case of state- and time-independent Hamiltonians. Numerical simulations are presented in space dimensions one and two, also for more general state- and time-dependent Hamiltonians, demonstrating superior performance in terms of CPU time gain compared with a semi-Lagrangian scheme coupled with Weighted Non-Oscillatory reconstructions.
Numerical simulations of high energy-density experiments require equation of state (EOS) models that relate a material's thermodynamic state variables -- specifically pressure, volume/density, energy, and temperature. EOS models are typically constructed using a semi-empirical parametric methodology, which assumes a physics-informed functional form with many tunable parameters calibrated using experimental/simulation data. Since there are inherent uncertainties in the calibration data (parametric uncertainty) and the assumed functional EOS form (model uncertainty), it is essential to perform uncertainty quantification (UQ) to improve confidence in the EOS predictions. Model uncertainty is challenging for UQ studies since it requires exploring the space of all possible physically consistent functional forms. Thus, it is often neglected in favor of parametric uncertainty, which is easier to quantify without violating thermodynamic laws. This work presents a data-driven machine learning approach to constructing EOS models that naturally captures model uncertainty while satisfying the necessary thermodynamic consistency and stability constraints. We propose a novel framework based on physics-informed Gaussian process regression (GPR) that automatically captures total uncertainty in the EOS and can be jointly trained on both simulation and experimental data sources. A GPR model for the shock Hugoniot is derived and its uncertainties are quantified using the proposed framework. We apply the proposed model to learn the EOS for the diamond solid state of carbon, using both density functional theory data and experimental shock Hugoniot data to train the model and show that the prediction uncertainty reduces by considering the thermodynamic constraints.
Mendelian randomization uses genetic variants as instrumental variables to make causal inferences about the effects of modifiable risk factors on diseases from observational data. One of the major challenges in Mendelian randomization is that many genetic variants are only modestly or even weakly associated with the risk factor of interest, a setting known as many weak instruments. Many existing methods, such as the popular inverse-variance weighted (IVW) method, could be biased when the instrument strength is weak. To address this issue, the debiased IVW (dIVW) estimator, which is shown to be robust to many weak instruments, was recently proposed. However, this estimator still has non-ignorable bias when the effective sample size is small. In this paper, we propose a modified debiased IVW (mdIVW) estimator by multiplying a modification factor to the original dIVW estimator. After this simple correction, we show that the bias of the mdIVW estimator converges to zero at a faster rate than that of the dIVW estimator under some regularity conditions. Moreover, the mdIVW estimator has smaller variance than the dIVW estimator.We further extend the proposed method to account for the presence of instrumental variable selection and balanced horizontal pleiotropy. We demonstrate the improvement of the mdIVW estimator over the dIVW estimator through extensive simulation studies and real data analysis.
Learning unknown stochastic differential equations (SDEs) from observed data is a significant and challenging task with applications in various fields. Current approaches often use neural networks to represent drift and diffusion functions, and construct likelihood-based loss by approximating the transition density to train these networks. However, these methods often rely on one-step stochastic numerical schemes, necessitating data with sufficiently high time resolution. In this paper, we introduce novel approximations to the transition density of the parameterized SDE: a Gaussian density approximation inspired by the random perturbation theory of dynamical systems, and its extension, the dynamical Gaussian mixture approximation (DynGMA). Benefiting from the robust density approximation, our method exhibits superior accuracy compared to baseline methods in learning the fully unknown drift and diffusion functions and computing the invariant distribution from trajectory data. And it is capable of handling trajectory data with low time resolution and variable, even uncontrollable, time step sizes, such as data generated from Gillespie's stochastic simulations. We then conduct several experiments across various scenarios to verify the advantages and robustness of the proposed method.
Full waveform inversion (FWI) is a large-scale nonlinear ill-posed problem for which computationally expensive Newton-type methods can become trapped in undesirable local minima, particularly when the initial model lacks a low-wavenumber component and the recorded data lacks low-frequency content. A modification to the Gauss-Newton (GN) method is proposed to address these issues. The standard GN system for multisource multireceiver FWI is reformulated into an equivalent matrix equation form, with the solution becoming a diagonal matrix rather than a vector as in the standard system. The search direction is transformed from a vector to a matrix by relaxing the diagonality constraint, effectively adding a degree of freedom to the subsurface offset axis. The relaxed system can be explicitly solved with only the inversion of two small matrices that deblur the data residual matrix along the source and receiver dimensions, which simplifies the inversion of the Hessian matrix. When used to solve the extended source FWI objective function, the Extended GN (EGN) method integrates the benefits of both model and source extension. The EGN method effectively combines the computational effectiveness of the reduced FWI method with the robustness characteristics of extended formulations and offers a promising solution for addressing the challenges of FWI. It bridges the gap between these extended formulations and the reduced FWI method, enhancing inversion robustness while maintaining computational efficiency. The robustness and stability of the EGN algorithm for waveform inversion are demonstrated numerically.
The expansion of a polytope is an important parameter for the analysis of the random walks on its graph. A conjecture of Mihai and Vazirani states that all $0/1$-polytopes have expansion at least 1. We show that the generalization to half-integral polytopes does not hold by constructing $d$-dimensional half-integral polytopes whose expansion decreases exponentially fast with $d$. We also prove that the expansion of half-integral zonotopes is uniformly bounded away from $0$. As an intermediate result, we show that half-integral zonotopes are always graphical.
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