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The limits of molecular dynamics (MD) simulations of macromolecules are steadily pushed forward by the relentless developments of computer architectures and algorithms. This explosion in the number and extent (in size and time) of MD…

We propose a generalized multiscale finite element method (GMsFEM) based on clustering algorithm to study the elliptic PDEs with random coefficients in the multi-query setting. Our method consists of offline and online stages. In the…

Numerical Analysis · Mathematics 2018-08-01 Eric T. Chung , Yalchin Efendiev , Wing Tat Leung , Zhiwen Zhang

Large Language Models (LLMs) have gained popularity in recent years, driving up the demand for inference. LLM inference is composed of two phases with distinct characteristics: a compute-bound prefill phase followed by a memory-bound decode…

Hardware Architecture · Computer Science 2025-10-10 Hengrui Zhang , Pratyush Patel , August Ning , David Wentzlaff

We study the challenging problem for inference tasks on large-scale graph datasets of Graph Neural Networks: huge time and memory consumption, and try to overcome it by reducing reliance on graph structure. Even though distilling graph…

Machine Learning · Computer Science 2024-03-05 Junxian Li , Bin Shi , Erfei Cui , Hua Wei , Qinghua Zheng

In this paper, we consider a class of continuous-time, continuous-space stochastic optimal control problems. Building upon recent advances in Markov chain approximation methods and sampling-based algorithms for deterministic path planning,…

Robotics · Computer Science 2012-02-27 Vu Anh Huynh , Sertac Karaman , Emilio Frazzoli

(abridged) We develop an algorithm for estimating parameters of a distribution sampled with contamination, employing a statistical technique known as ``expectation maximization'' (EM). Given models for both member and contaminant…

High-density microfluidics is becoming an important experimental platform for studying complex biological systems such as synthetic gene regulatory networks, molecular biocomputating of engineered cells, distributing rapid point-of-care…

Biological Physics · Physics 2021-07-21 Sankar Raju Narayanasamy , Ramakrishna Vasireddi , Hoi-Ying Holman

Separation is a crucial step in the analysis of living microparticles. In particular, the selective microseparation of phytoplankton by size and shape remains an open problem, even though these criteria are essential for their gender and/or…

Applied Physics · Physics 2025-04-09 Nicolas Ruyssen , Bastien Oliva , Lylian Challier , Vincent Noël , Benjamin Rotenberg

Data management is becoming increasingly important in dealing with the large amounts of data produced by large-scale scientific simulations and instruments. Existing multilevel compression algorithms offer a promising way to manage…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-11-12 Xin Liang , Ben Whitney , Jieyang Chen , Lipeng Wan , Qing Liu , Dingwen Tao , James Kress , Dave Pugmire , Matthew Wolf , Norbert Podhorszki , Scott Klasky

Force-gradient decomposition methods are used to improve the energy preservation of symplectic schemes applied to Hamiltonian systems. If the potential is composed of different parts with strongly varying dynamics, this multirate potential…

Numerical Analysis · Mathematics 2013-12-12 Dmitry Shcherbakov , Matthias Ehrhardt , Michael Günther , Michael Peardon

Differentiating signals from the background in micrographs is a critical initial step for cryogenic electron microscopy (cryo-EM), yet it remains laborious due to low signal-to-noise ratio (SNR), the presence of contaminants and densely…

Image and Video Processing · Electrical Eng. & Systems 2025-09-30 Szu-Chi Chung , Po-Cheng Chou

In multi-user millimeter wave (mmWave) multiple-input-multiple-output (MIMO) systems, hybrid precoding is a crucial task to lower the complexity and cost while achieving a sufficient sum-rate. Previous works on hybrid precoding were usually…

Signal Processing · Electrical Eng. & Systems 2020-04-28 Ahmet M. Elbir , Anastasios Papazafeiropoulos

Cryo-electron microscopy (cryo-EM) studies using single particle reconstruction are extensively used to reveal structural information on macromolecular complexes. Aiming at the highest achievable resolution, state of the art electron…

Partitioning graphs into blocks of roughly equal size such that few edges run between blocks is a frequently needed operation when processing graphs on a parallel computer. When a topology of a distributed system is known an important task…

Data Structures and Algorithms · Computer Science 2020-01-23 Marcelo Fonseca Faraj , Alexander van der Grinten , Henning Meyerhenke , Jesper Larsson Träff , Christian Schulz

Extreme learning machine (ELM) is a methodology for solving partial differential equations (PDEs) using a single hidden layer feed-forward neural network. It presets the weight/bias coefficients in the hidden layer with random values, which…

Numerical Analysis · Mathematics 2025-04-30 Chang-Ock Lee , Youngkyu Lee , Byungeun Ryoo

The optimal selection, sizing, and location of small-scale technologies within a grid-connected distributed energy system (DES) can contribute to reducing carbon emissions, consumer costs, and network imbalances. This is the first study to…

Optimization and Control · Mathematics 2022-09-30 Ishanki De Mel , Oleksiy V. Klymenko , Michael Short

To fill the gap between accurate (and expensive) ab initio calculations and efficient atomistic simulations based on empirical interatomic potentials, a new class of descriptions of atomic interactions has emerged and been widely applied;…

Materials Science · Physics 2024-03-28 Tongqi Wen , Linfeng Zhang , Han Wang , Weinan E , David J. Srolovitz

Mixup is an efficient data augmentation approach that improves the generalization of neural networks by smoothing the decision boundary with mixed data. Recently, dynamic mixup methods have improved previous static policies effectively…

Machine Learning · Computer Science 2023-10-24 Zicheng Liu , Siyuan Li , Ge Wang , Cheng Tan , Lirong Wu , Stan Z. Li

(Neal and Hinton, 1998) recast maximum likelihood estimation of any given latent variable model as the minimization of a free energy functional $F$, and the EM algorithm as coordinate descent applied to $F$. Here, we explore alternative…

Computation · Statistics 2023-02-21 Juan Kuntz , Jen Ning Lim , Adam M. Johansen

Stochastic sampling methods are arguably the most direct and least intrusive means of incorporating parametric uncertainty into numerical simulations of partial differential equations with random inputs. However, to achieve an overall error…

Numerical Analysis · Mathematics 2014-04-09 Hans-Werner van Wyk