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The idea of using fragment embedding to circumvent the high computational scaling of accurate electronic structure methods while retaining high accuracy has been a long-standing goal for quantum chemists. Traditional fragment embedding…

Chemical Physics · Physics 2022-10-11 Hong-Zhou Ye , Matthew Welborn , Nathan D. Ricke , Troy Van Voorhis

The success of graph embeddings or node representation learning in a variety of downstream tasks, such as node classification, link prediction, and recommendation systems, has led to their popularity in recent years. Representation learning…

Machine Learning · Computer Science 2018-09-07 Saba A. Al-Sayouri , Danai Koutra , Evangelos E. Papalexakis , Sarah S. Lam

In this paper, we present a novel approach for detecting the discontinuity interfaces of a discontinuous function. This approach leverages Graph-Instructed Neural Networks (GINNs) and sparse grids to address discontinuity detection also in…

Machine Learning · Computer Science 2025-03-27 Francesco Della Santa , Sandra Pieraccini

Recovering the intrinsic physical attributes of a scene from images, generally termed as the inverse rendering problem, has been a central and challenging task in computer vision and computer graphics. In this paper, we present GUS-IR, a…

Computer Vision and Pattern Recognition · Computer Science 2024-11-13 Zhihao Liang , Hongdong Li , Kui Jia , Kailing Guo , Qi Zhang

In recent years, hardware implementations of Ising machines have emerged as a viable alternative to quantum computing for solving hard optimization problems among other applications. Unlike quantum hardware, dense connectivity can be…

We present an algorithm that on input of an $n$-vertex $m$-edge weighted graph $G$ and a value $k$, produces an {\em incremental sparsifier} $\hat{G}$ with $n-1 + m/k$ edges, such that the condition number of $G$ with $\hat{G}$ is bounded…

Data Structures and Algorithms · Computer Science 2015-03-13 Ioannis Koutis , Gary L. Miller , Richard Peng

A multigraph $G = (V, E)$ is $(k, \ell)$-sparse if every subset $X \subseteq V$ induces at most $\max\{k|X| - \ell, 0\}$ edges. Finding a maximum-size $(k, \ell)$-sparse subgraph is a classical problem in rigidity theory and combinatorial…

Data Structures and Algorithms · Computer Science 2025-11-24 Péter Madarasi

Graph Neural Networks (GNNs) have emerged as effective tools for learning tasks on graph-structured data. Recently, Graph-Informed (GI) layers were introduced to address regression tasks on graph nodes, extending their applicability beyond…

Machine Learning · Computer Science 2024-03-21 Francesco Della Santa

Classic Graph Neural Network (GNN) inference approaches, designed for static graphs, are ill-suited for streaming graphs that evolve with time. The dynamism intrinsic to streaming graphs necessitates constant updates, posing unique…

Machine Learning · Computer Science 2025-07-29 Dan Wu , Zhaoying Li , Tulika Mitra

Hyperspectral imaging is gathering significant attention due to its potential in various domains such as geology, agriculture, ecology, and surveillance. However, the associated processing algorithms, which are essential for enhancing…

Signal Processing · Electrical Eng. & Systems 2023-10-04 El Mehdi Abdali , Daniele Picone , Mauro Dalla-Mura , Stéphane Mancini

We consider the problem of estimating the spectral density of the normalized adjacency matrix of an $n$-node undirected graph. We provide a randomized algorithm that, with $O(n\epsilon^{-2})$ queries to a degree and neighbor oracle and in…

Data Structures and Algorithms · Computer Science 2024-06-12 Yujia Jin , Ishani Karmarkar , Christopher Musco , Aaron Sidford , Apoorv Vikram Singh

Small subgraphs (graphlets) are important features to describe fundamental units of a large network. The calculation of the subgraph frequency distributions has a wide application in multiple domains including biology and engineering.…

Machine Learning · Computer Science 2022-07-15 Zhongren Chen , Xinyue Xu , Shengyi Jiang , Hao Wang , Lu Mi

In this article, we propose a novel navigation framework that leverages a two layered graph representation of the environment for efficient large-scale exploration, while it integrates a novel uncertainty awareness scheme to handle dynamic…

Robotics · Computer Science 2024-02-07 Akash Patel , Mario A V Saucedo , Christoforos Kanellakis , George Nikolakopoulos

An algorithm based on Artificial Neural Networks is proposed in this paper to improve the accuracy of Inertial Navigation System (INS)/ Global Navigation Satellite System (GNSS) integrated navigation during the absence of GNSS signals. The…

Signal Processing · Electrical Eng. & Systems 2020-10-07 Uche Onyekpe , Vasile Palade , Stratis Kanarachos

Graph matching is a challenging problem with very important applications in a wide range of fields, from image and video analysis to biological and biomedical problems. We propose a robust graph matching algorithm inspired in…

Optimization and Control · Mathematics 2013-11-26 Marcelo Fiori , Pablo Sprechmann , Joshua Vogelstein , Pablo Musé , Guillermo Sapiro

While deep convolutional architectures have achieved remarkable results in a gamut of supervised applications dealing with images and speech, recent works show that deep untrained non-convolutional architectures can also outperform…

Signal Processing · Electrical Eng. & Systems 2020-03-13 Samuel Rey , Antonio G. Marques , Santiago Segarra

Finding frequently occurring subgraph patterns or network motifs in neural architectures is crucial for optimizing efficiency, accelerating design, and uncovering structural insights. However, as the subgraph size increases,…

Machine Learning · Computer Science 2026-02-04 Yikang Yang , Zhengxin Yang , Minghao Luo , Luzhou Peng , Hongxiao Li , Wanling Gao , Lei Wang , Jianfeng Zhan

We study \emph{dynamic} algorithms for maintaining spectral vertex sparsifiers of graphs with respect to a set of terminals $T$ of our choice. Such objects preserve pairwise resistances, solutions to systems of linear equations, and energy…

Data Structures and Algorithms · Computer Science 2019-06-26 David Durfee , Yu Gao , Gramoz Goranci , Richard Peng

For graph classification tasks, many traditional kernel methods focus on measuring the similarity between graphs. These methods have achieved great success on resolving graph isomorphism problems. However, in some classification problems,…

Machine Learning · Computer Science 2021-02-18 Jianming Huang , Hiroyuki Kasai

Methods that learn representations of nodes in a graph play a critical role in network analysis since they enable many downstream learning tasks. We propose Graph2Gauss - an approach that can efficiently learn versatile node embeddings on…

Machine Learning · Statistics 2019-04-02 Aleksandar Bojchevski , Stephan Günnemann