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The generation of 3D molecules requires simultaneously deciding the categorical features~(atom types) and continuous features~(atom coordinates). Deep generative models, especially Diffusion Models (DMs), have demonstrated effectiveness in…

Machine Learning · Computer Science 2023-12-13 Yuxuan Song , Jingjing Gong , Minkai Xu , Ziyao Cao , Yanyan Lan , Stefano Ermon , Hao Zhou , Wei-Ying Ma

We present faster algorithms for approximate maximum flow in undirected graphs with good separator structures, such as bounded genus, minor free, and geometric graphs. Given such a graph with $n$ vertices, $m$ edges along with a recursive…

Data Structures and Algorithms · Computer Science 2012-10-19 Gary Miller , Richard Peng

Global instability analysis of flows is often performed via time-stepping methods, based on the Arnoldi algorithm. When setting up these methods, several computational parameters must be chosen, which affect intrinsic errors of the…

Fluid Dynamics · Physics 2022-11-10 Marlon Sproesser Mathias , Marcello Augusto Faraco de Medeiros

Recent advances in dynamic graph processing have enabled the analysis of highly dynamic graphs with change at rates as high as millions of edge changes per second. Solutions in this domain, however, have been demonstrated only for…

Data Structures and Algorithms · Computer Science 2023-11-14 Juntong Luo , Scott Sallinen , Matei Ripeanu

Although the Smoothed Particle Hydrodynamics (SPH) method has been demonstrated as a promising numerical solver for multiphase flow problems due to its Lagrangian nature, its application to complex channel flow may encounter additional…

Fluid Dynamics · Physics 2025-06-18 Zi-Yang Zhan , Zhen Chen

A streaming algorithm to compute the spectral proper orthogonal decomposition (SPOD) of stationary random processes is presented. As new data becomes available, an incremental update of the truncated eigenbasis of the estimated…

Fluid Dynamics · Physics 2019-01-14 Oliver T. Schmidt , Aaron Towne

We propose a class of temporally high-order parametric finite element methods for simulating solid-state dewetting of thin films in two dimensions using a sharp-interface model. The process is governed by surface diffusion and contact point…

Numerical Analysis · Mathematics 2025-10-21 Xiaowen Gan , Yuqian Teng , Sisheng Wang

We propose, analyze, and test a novel continuous data assimilation two-phase flow algorithm for reservoir simulation. We show that the solutions of the algorithm, constructed using coarse mesh observations, converge at an exponential rate…

Numerical Analysis · Mathematics 2022-06-22 Yat Tin Chow , Wing Tat Leung , Ali Pakzad

Extreme events play a crucial role in fluid turbulence. Inspired by methods from field theory, these extreme events, their evolution and probability can be computed with help of the instanton formalism as minimizers of a suitable action…

Fluid Dynamics · Physics 2015-10-28 Tobias Grafke , Rainer Grauer , Stephan Schindel

We propose a hybrid moment method for the multi-scale kinetic equations in the framework of the regularized moment method [7]. In this method, the fourth order moment system is chosen as the governing equations in the fluid region. When…

Computational Physics · Physics 2020-04-14 Weiming Li , Peng Song , Yanli Wang

This paper synthesizes anytime algorithms, in the form of continuous-time dynamical systems, to solve monotone variational inequalities. We introduce three algorithms that solve this problem: the projected monotone flow, the safe monotone…

Optimization and Control · Mathematics 2025-02-18 Ahmed Allibhoy , Jorge Cortés

Ensemble models are widely used to solve complex tasks by their decomposition into multiple simpler tasks, each one solved locally by a single member of the ensemble. Decoding of error-correction codes is a hard problem due to the curse of…

Information Theory · Computer Science 2020-05-12 Tomer Raviv , Nir Raviv , Yair Be'ery

This paper presents a novel p-adaptive, high-order mesh-free framework for the accurate and efficient simulation of fluid flows in complex geometries. High-order differential operators are constructed locally for arbitrary node…

Numerical Analysis · Mathematics 2025-11-27 Ruofeng Feng , Jack R. C. King , Steven J. Lind

This paper presents a high-accuracy higher-order multiscale method for solving multi-continuum problems in in highly heterogeneous media. First, microscopic unit cell functions are defined, leading to the derivation of macroscopic…

Numerical Analysis · Mathematics 2026-04-08 Hao Dong , Jiayuan Peng , Jian Huang

Gradient-based first-order convex optimization algorithms find widespread applicability in a variety of domains, including machine learning tasks. Motivated by the recent advances in fixed-time stability theory of continuous-time dynamical…

Machine Learning · Computer Science 2023-10-24 Mayank Baranwal , Param Budhraja , Vishal Raj , Ashish R. Hota

We consider optimal planning in a large-scale system formalised as a hierarchical finite state machine (HFSM). A planning algorithm is proposed computing an optimal plan between any two states in the HFSM, consisting of two steps: A…

Systems and Control · Electrical Eng. & Systems 2026-05-06 Elis Stefansson , Karl H. Johansson

We present a novel high order semi-implicit hybrid finite volume/virtual element numerical scheme for the solution of compressible flows on Voronoi tessellations. The method relies on the flux splitting of the compressible Navier-Stokes…

Numerical Analysis · Mathematics 2024-05-24 Walter Boscheri , Saray Busto , Michael Dumbser

For simulating incompressible flows by projection methods. it is generally accepted that the pressure-correction stage is the most time-consuming part of the flow solver. The objective of the present work is to develop a fast hybrid…

Fluid Dynamics · Physics 2023-06-05 Jiannong Fang

We present high-order variational Lagrangian finite element methods for compressible fluids using a discrete energetic variational approach. Our spatial discretization is mass/momentum/energy conserving and entropy stable. Fully implicit…

Numerical Analysis · Mathematics 2023-08-16 Guosheng Fu , Chun Liu

In this work we propose and analyze a new Hybrid High-Order method for the Brinkman problem for fluids with power-law viscosity. The proposed method supports general meshes and arbitrary approximation orders and is robust in all regimes,…

Numerical Analysis · Mathematics 2026-05-26 Daniel Castañón Quiroz , Daniele A. Di Pietro , Jérôme Droniou , Marwa Salah