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In a recent paper, J. Chem. Phys. 162, 214101 (2025), a novel approach for the rigidification of a molecular cluster was proposed, in which starting with an all-atom (AA) potential, a coarse-grained (CG) potential for the associated cluster…

Chemical Physics · Physics 2025-09-08 João V. M. Pimentel , Vladimir A. Mandelshtam

We propose Adaptive Multi-Scale Goodness Aggregation (AMSGA), a novel extension of the Forward-Forward (FF) algorithm designed to improve stability, robustness, and generalization in local-learning neural networks. AMSGA addresses several…

Machine Learning · Computer Science 2026-05-20 Salar Beigzad , Vansh Verma

Graph matching aims to establish correspondences between vertices of graphs such that both the node and edge attributes agree. Various learning-based methods were recently proposed for finding correspondences between image key points based…

Computer Vision and Pattern Recognition · Computer Science 2022-05-10 Zhenzhang Ye , Tarun Yenamandra , Florian Bernard , Daniel Cremers

This paper investigates the stochastic optimization problem with a focus on developing scalable parallel algorithms for deep learning tasks. Our solution involves a reformation of the objective function for stochastic optimization in neural…

Machine Learning · Computer Science 2020-04-09 Pengzhan Guo , Zeyang Ye , Keli Xiao , Wei Zhu

The increasing demand for larger and higher fidelity simulations has made Adaptive Mesh Refinement (AMR) and unstructured mesh techniques essential to focus compute effort and memory cost on just the areas of interest in the simulation…

Graphics · Computer Science 2025-01-23 Xuan Huang , Will Usher , Valerio Pascucci

An Abstract Graph Machine(AGM) is an abstract model for distributed memory parallel stabilizing graph algorithms. A stabilizing algorithm starts from a particular initial state and goes through series of different state changes until it…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-04-29 Thejaka Amila Kanewala , Marcin Zalewski , Andrew Lumsdaine

In this paper we propose an algebraic formalization of connectors in the quantitative setting, in order to address their non-functional features in architectures of component-based systems. We firstly present a weighted Algebra of…

Logic in Computer Science · Computer Science 2022-09-22 Christina Chrysovalanti Fountoukidou , Maria Pittou

The two-level overlapping additive Schwarz method offers a robust and scalable preconditioner for various linear systems resulting from elliptic problems. One of the key to these properties is the construction of the coarse space used to…

Numerical Analysis · Mathematics 2024-08-16 Filipe A. C. S. Alves , Alexander Heinlein , Hadi Hajibeygi

We propose geometric weighting as a novel method to combine multiple models in data compression. Our results reveal the rationale behind PAQ-weighting and generalize it to a non-binary alphabet. Based on a similar technique we present a…

Information Theory · Computer Science 2013-02-13 Christopher Mattern

We study clustering on graphs with multiple edge types. Our main motivation is that similarities between objects can be measured in many different metrics. For instance similarity between two papers can be based on common authors, where…

Social and Information Networks · Computer Science 2011-09-09 Matthew Rocklin , Ali Pinar

Online augmentation of an oblique aerial image sequence with structural information is an essential aspect in the process of 3D scene interpretation and analysis. One key aspect in this is the efficient dense image matching and depth…

Computer Vision and Pattern Recognition · Computer Science 2019-09-24 Boitumelo Ruf , Thomas Pollok , Martin Weinmann

This paper establishes the first theoretical framework for analyzing the rounding-error effects on multigrid methods using mixed-precision iterative-refinement solvers. While motivated by the sparse symmetric positive definite (SPD) matrix…

Numerical Analysis · Mathematics 2020-07-15 Stephen F. McCormick , Joseph Benzaken , Rasmus Tamstorf

General factors are a generalization of matchings. Given a graph $G$ with a set $\pi(v)$ of feasible degrees, called a degree constraint, for each vertex $v$ of $G$, the general factor problem is to find a (spanning) subgraph $F$ of $G$…

Discrete Mathematics · Computer Science 2024-05-24 Shuai Shao , Stanislav Živný

Many computational problems admit fast algorithms on special inputs, however, the required properties might be quite restrictive. E.g., many graph problems can be solved much faster on interval or cographs, or on graphs of small…

Data Structures and Algorithms · Computer Science 2022-09-30 Stefan Kratsch , Florian Nelles

Molecular machine learning has gained popularity with the advancements of geometric deep learning. In parallel, retrieval-augmented generation has become a principled approach commonly used with language models. However, the optimal…

Machine Learning · Computer Science 2025-07-04 Runzhong Wang , Rui-Xi Wang , Mrunali Manjrekar , Connor W. Coley

The use of adaptive mesh refinement (AMR) techniques is crucial for accurate and efficient simulation of higher dimensional spacetimes. In this work we develop an adaptive algorithm tailored to the integration of finite difference…

General Relativity and Quantum Cosmology · Physics 2009-11-10 Frans Pretorius , Luis Lehner

Coarse graining enables the investigation of molecular dynamics for larger systems and at longer timescales than is possible at atomic resolution. However, a coarse graining model must be formulated such that the conclusions we draw from it…

Multi-attributed graph matching is a problem of finding correspondences between two sets of data while considering their complex properties described in multiple attributes. However, the information of multiple attributes is likely to be…

Computer Vision and Pattern Recognition · Computer Science 2017-04-25 Han-Mu Park , Kuk-Jin Yoon

Calibration weighting is a fundamental technique in survey sampling and data integration for incorporating auxiliary information and improving efficiency of estimators. Classical calibration methods are typically formulated through distance…

Methodology · Statistics 2026-03-24 Jae Kwang Kim , Yonghyun Kwon , Yumou Qiu

In this paper, we tackle the problem of measuring similarity among graphs that represent real objects with noisy data. To account for noise, we relax the definition of similarity using the maximum weighted co-$k$-plex relaxation method,…

Data Structures and Algorithms · Computer Science 2016-01-26 Maritza Hernandez , Arman Zaribafiyan , Maliheh Aramon , Mohammad Naghibi