相关论文: Periodic Pulay method for robust and efficient con…

We generalize the interpolative separable density fitting (ISDF) method, used for compressing the four-index electron repulsion integral (ERI) tensor, to incorporate adaptive real space grids for potentially highly localized single-particle…

We propose deep parameter interpolation (DPI), a general-purpose method for transforming an existing deep neural network architecture into one that accepts an additional scalar input. Recent deep generative models, including diffusion…

Extensive research on Reconfigurable Intelligent Surfaces (RIS) has primarily focused on optimizing reflective coefficients for passive beamforming in specific target directions. This optimization typically assumes prior knowledge of the…

The aim of this paper is to present a first evaluation of the potential of an asynchronous distributed computation associated to the recently proposed approach, D-iteration: the D-iteration is a fluid diffusion based iterative method, which…

We propose a computationally efficient technique for extrapolating seismic waves in an arbitrary isotropic elastic medium. The method is based on factorizing the full elastic wave equation into a product of pseudo-differential operators.…

Dual-energy computed tomography (DECT) has been widely used to obtain quantitative elemental composition of imaged subjects for personalized and precise medical diagnosis. Compared with existing high-end DECT leveraging advanced X-ray…

We introduce MIPS-Fusion, a robust and scalable online RGB-D reconstruction method based on a novel neural implicit representation -- multi-implicit-submap. Different from existing neural RGB-D reconstruction methods lacking either…

Exa-scale simulations are on the horizon but almost no new design for the output has been proposed in recent years. In simulations using individual time steps, the traditional snapshots are over resolving particles/cells with large time…

In non-ideal plasmas, the dielectric function has to be treated beyond the random phase approximation. Correlations and well as collisions have to be included. These corrections are known as (dynamical) local field corrections. With the…

Multi-view depth estimation plays a critical role in reconstructing and understanding the 3D world. Recent learning-based methods have made significant progress in it. However, multi-view depth estimation is fundamentally a…

This work proposes a discretization of the acoustic wave equation with possibly oscillatory coefficients based on a superposition of discrete solutions to spatially localized subproblems computed with an implicit time discretization. Based…

This paper proposes and analyzes an accelerated inexact dampened augmented Lagrangian (AIDAL) method for solving linearly-constrained nonconvex composite optimization problems. Each iteration of the AIDAL method consists of: (i) inexactly…

A single-step high-order implicit time integration scheme with controllable numerical dissipation at high frequencies is presented for the transient analysis of structural dynamic problems. The amount of numerical dissipation is controlled…

This paper is concerned with a space-time adaptive numerical method for instationary porous media flows with nonlinear interaction between porosity and pressure, with focus on problems with discontinuous initial porosities. A convergent…

In this work, we develop a novel Bayesian estimation method for the Dirichlet process (DP) mixture of the inverted Dirichlet distributions, which has been shown to be very flexible for modeling vectors with positive elements. The recently…

A new method, the Dynamical Systems Method (DSM), justified recently, is applied to solving ill-conditioned linear algebraic system (ICLAS). The DSM gives a new approach to solving a wide class of ill-posed problems. In this paper a new…

In this paper, we extend the implicit-explicit (IMEX) methods of Peer type recently developed in [Lang, Hundsdorfer, J. Comp. Phys., 337:203--215, 2017] to a broader class of two-step methods that allow the construction of super-convergent…

We shall derive and propose several efficient overlapping domain decomposition methods for solving some typical linear inverse problems, including the identiffication of the flux, the source strength and the initial temperature in second…

Aitken extrapolation normally applied to convergent fixed point iteration is extended to extrapolate the solution of a divergent iteration. In addition, higher order Aitken extrapolation is introduced that enables successive decomposition…

Many processes in chemistry and physics take place on timescales that cannot be explored using standard molecular dynamics simulations. This renders the use of enhanced sampling mandatory. Here we introduce an enhanced sampling method that…