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Predicting the ground-state 3D molecular conformations from 2D molecular graphs is critical in computational chemistry due to its profound impact on molecular properties. Deep learning (DL) approaches have recently emerged as promising…

化学物理 · 物理学 2024-10-22 Taewon Kim , Hyunjin Seo , Sungsoo Ahn , Eunho Yang

The aim of electrical impedance tomography is to form an image of the conductivity distribution inside an unknown body using electric boundary measurements. The computation of the image from measurement data is a non-linear ill-posed…

数值分析 · 数学 2011-09-28 Samuli Siltanen , Janne P. Tamminen

Many surface reconstruction methods incorporate normal integration, which is a process to obtain a depth map from surface gradients. In this process, the input may represent a surface with discontinuities, e.g., due to self-occlusion. To…

计算机视觉与模式识别 · 计算机科学 2024-04-05 Hyomin Kim , Yucheol Jung , Seungyong Lee

Simple modifications for higher-order Godunov-type difference schemes are presented which allow for accurate advection of multi-fluid flows in hydrodynamic simulations. The constraint that the sum of all mass fractions has to be equal to…

天体物理学 · 物理学 2009-09-25 Tomasz Plewa , Ewald Mueller

A new scheme for communication between overset grids using subcells and Weighted Essentially Non Oscillatory (WENO) reconstruction for two-dimensional problems has been proposed. The effectiveness of this procedure is demonstrated using the…

数值分析 · 数学 2021-06-14 S R Siva Prasad Kochi , M Ramakrishna

Direct optimization of interpolated features on multi-resolution voxel grids has emerged as a more efficient alternative to MLP-like modules. However, this approach is constrained by higher memory expenses and limited representation…

计算机视觉与模式识别 · 计算机科学 2023-04-14 Xiangyu Xu , Lichang Chen , Changjiang Cai , Huangying Zhan , Qingan Yan , Pan Ji , Junsong Yuan , Heng Huang , Yi Xu

Accurate recovery of 3D geometrical surfaces from calibrated 2D multi-view images is a fundamental yet active research area in computer vision. Despite the steady progress in multi-view stereo reconstruction, most existing methods are still…

计算机视觉与模式识别 · 计算机科学 2016-01-20 Zhaoxin Li , Kuanquan Wang , Wangmeng Zuo , Deyu Meng , Lei Zhang

Fluid-structure interactions are central to many bio-molecular processes, and they impose a great challenge for computational and modeling methods. In this paper, we consider the immersed boundary method (IBM) for biofluid systems, and to…

数值分析 · 数学 2021-10-13 Yushuang Luo , Xiantao Li , Wenrui Hao

In this paper we present a novel approach for the design of high order general boundary conditions when approximating solutions of the Euler equations on domains with curved boundaries, using meshes which may not be boundary conformal. When…

数值分析 · 数学 2023-12-13 Mirco Ciallella , Stephane Clain , Elena Gaburro , Mario Ricchiuto

Continual learning in computer vision requires that models adapt to a continuous stream of tasks without forgetting prior knowledge, yet existing approaches often tip the balance heavily toward either plasticity or stability. We introduce…

机器学习 · 计算机科学 2025-07-21 Étienne Künzel , Achref Jaziri , Visvanathan Ramesh

A new approach to prevent spurious behavior caused by conventional shock-capturing schemes when solving stiff detonation waves problems is introduced in the present work. Due to smearing of discontinuous solution by the excessive numerical…

计算物理 · 物理学 2017-08-04 Xi Deng , Honghui Teng , Bin Xie , Feng Xiao

In this paper, we develop bound-preserving (BP) finite-volume schemes for hyperbolic conservation laws on adaptive moving meshes. For scalar conservative laws, we rewrite the conventional high-order discretization as a convex combination of…

数值分析 · 数学 2026-02-16 Yaguang Gu , Guanghui Hu , Tao Tang

Iterative algorithms have many advantages for linear tomographic image reconstruction when compared to back-projection based methods. However, iterative methods tend to have significantly higher computational complexity. To overcome this,…

分布式、并行与集群计算 · 计算机科学 2019-03-29 Yushan Gao , Ander Biguri , Thomas Blumensath

In limited feedback multi-user multiple-input multiple-output (MU-MIMO) cellular networks, users send quantized information about the channel conditions to the associated base station (BS) for downlink beamforming. However, channel…

信号处理 · 电气工程与系统科学 2022-09-07 Yifan Ma , Xianghao Yu , Jun Zhang , S. H. Song , Khaled B. Letaief

Finite volume schemes for hyperbolic balance laws require a piecewise polynomial reconstruction of the cell averaged values, and a reconstruction is termed `well-balanced' if it is able to simulate steady states at higher order than time…

数值分析 · 数学 2021-06-22 Edward W. G. Skevington

We address the issue of point value reconstructions from cell averages in the context of third order finite volume schemes, focusing in particular on the cells close to the boundaries of the domain. In fact, most techniques known in the…

数值分析 · 数学 2021-03-24 M. Semplice , E. Travaglia , G. Puppo

Dense 3D reconstruction from a stream of depth images is the key to many mixed reality and robotic applications. Although methods based on Truncated Signed Distance Function (TSDF) Fusion have advanced the field over the years, the TSDF…

计算机视觉与模式识别 · 计算机科学 2022-04-05 Kejie Li , Yansong Tang , Victor Adrian Prisacariu , Philip H. S. Torr

A mesh refinement method is described for solving optimal control problems using Legendre-Gauss-Radau collocation. The method detects discontinuities in the control solution by employing an edge detection scheme based on jump function…

最优化与控制 · 数学 2020-03-27 Alexander T. Miller , WIlliam W. Hager , Anil V. Rao

We revisit the inverse problem of reconstructing a spatially varying diffusion coefficient in stationary elliptic equations from boundary Cauchy data. From a theoretical perspective, we introduce a gradient-weighted modification of the…

This work establishes a novel, unified theoretical framework for a class of high order embedded boundary methods, revealing that the Reconstruction for Off-site Data (ROD) treatment shares a fundamental structure with the recently developed…

数值分析 · 数学 2026-01-01 Mirco Ciallella