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Graph Neural Networks (GNNs) have emerged as prominent models for representation learning on graph structured data. GNNs follow an approach of message passing analogous to 1-dimensional Weisfeiler Lehman (1-WL) test for graph isomorphism…

机器学习 · 计算机科学 2022-03-18 Mohammed Haroon Dupty , Wee Sun Lee

\Graph similarity computation is an essential task in many real-world graph-related applications such as retrieving the similar drugs given a query chemical compound or finding the user's potential friends from the social network database.…

机器学习 · 计算机科学 2024-12-18 Jingjing Wang , Hongjie Zhu , Haoran Xie , Fu Lee Wang , Xiaoliang Xu , Yuxiang Wang

Graph neural networks (GNN) rely on graph operations that include neural network training for various graph related tasks. Recently, several attempts have been made to apply the GNNs to functional magnetic resonance image (fMRI) data.…

计算机视觉与模式识别 · 计算机科学 2020-05-26 Byung-Hoon Kim , Jong Chul Ye

Graph Neural Networks (GNNs) show strong expressive power on graph data mining, by aggregating information from neighbors and using the integrated representation in the downstream tasks. The same aggregation methods and parameters for each…

机器学习 · 计算机科学 2022-03-22 Xiaojun Ma , Qin Chen , Yuanyi Ren , Guojie Song , Liang Wang

Graph neural networks (GNNs) have been widely used to predict properties and heuristics of mixed-integer linear programs (MILPs) and hence accelerate MILP solvers. This paper investigates the capacity of GNNs to represent strong branching…

机器学习 · 计算机科学 2025-01-09 Ziang Chen , Jialin Liu , Xiaohan Chen , Xinshang Wang , Wotao Yin

Graphical models are widely used in science to represent joint probability distributions with an underlying conditional dependence structure. The inverse problem of learning a discrete graphical model given i.i.d samples from its joint…

机器学习 · 计算机科学 2020-12-24 Abhijith J. , Andrey Y. Lokhov , Sidhant Misra , Marc Vuffray

Batch Normalization (BN) has become an out-of-box technique to improve deep network training. However, its effectiveness is limited for micro-batch training, i.e., each GPU typically has only 1-2 images for training, which is inevitable for…

计算机视觉与模式识别 · 计算机科学 2020-08-11 Siyuan Qiao , Huiyu Wang , Chenxi Liu , Wei Shen , Alan Yuille

The Maximum Weight Independent Set (MWIS) problem is a well-known NP-hard problem. For graphs $G_1, G_2$, $G_1+G_2$ denotes the disjoint union of $G_1$ and $G_2$, and for a constant $l \ge 2$, $lG$ denotes the disjoint union of $l$ copies…

离散数学 · 计算机科学 2016-02-19 Andreas Brandstadt , Raffaele Mosca

Graph similarity search is among the most important graph-based applications, e.g. finding the chemical compounds that are most similar to a query compound. Graph similarity computation, such as Graph Edit Distance (GED) and Maximum Common…

机器学习 · 计算机科学 2020-03-03 Yunsheng Bai , Hao Ding , Song Bian , Ting Chen , Yizhou Sun , Wei Wang

Graph neural networks (GNNs) have emerged as a powerful tool for tasks such as node classification and graph classification. However, much less work has been done on signal classification, where the data consists of many functions (referred…

Combinatorial optimization problems are pervasive across science and industry. Modern deep learning tools are poised to solve these problems at unprecedented scales, but a unifying framework that incorporates insights from statistical…

机器学习 · 计算机科学 2022-04-26 Martin J. A. Schuetz , J. Kyle Brubaker , Helmut G. Katzgraber

The Maximum Weight Independent Set (MWIS) problem on finite undirected graphs with vertex weights asks for a set of pairwise nonadjacent vertices of maximum weight sum. MWIS is one of the most investigated and most important algorithmic…

离散数学 · 计算机科学 2016-07-01 Andreas Brandstadt , Raffaele Mosca

The maximum independent set problem is a classic optimization problem that has also been studied quite intensively in the distributed setting. While the problem is hard to approximate in general, there are good approximation algorithms…

数据结构与算法 · 计算机科学 2025-06-13 Salwa Faour , Fabian Kuhn

A long-standing goal in deep learning has been to characterize the learning behavior of black-box models in a more interpretable manner. For graph neural networks (GNNs), considerable advances have been made in formalizing what functions…

机器学习 · 计算机科学 2024-06-19 Chenxiao Yang , Qitian Wu , David Wipf , Ruoyu Sun , Junchi Yan

The complexity of classical computational problems in graph classes defined by forbidding induced subgraphs is one of the central topics of algorithmic graph theory. Recently, there has been a growing interest in the complexity of such…

数据结构与算法 · 计算机科学 2026-04-28 Paweł Rafał Bieliński , Marta Piecyk , Paweł Rzążewski

The generalized Gauss-Newton (GGN) optimization method incorporates curvature estimates into its solution steps, and provides a good approximation to the Newton method for large-scale optimization problems. GGN has been found particularly…

机器学习 · 计算机科学 2024-04-24 Adeyemi D. Adeoye , Philipp Christian Petersen , Alberto Bemporad

Graph Neural Networks (GNN) show great promise in problems dealing with graph-structured data. One of the unique points of GNNs is their flexibility to adapt to multiple problems, which not only leads to wide applicability, but also poses…

机器学习 · 计算机科学 2022-06-17 Axel Wassington , Sergi Abadal

Graph Neural Networks (GNNs) have made significant advances on several fundamental inference tasks. As a result, there is a surge of interest in using these models for making potentially important decisions in high-regret applications.…

机器学习 · 计算机科学 2020-02-26 Kaidi Xu , Sijia Liu , Pin-Yu Chen , Mengshu Sun , Caiwen Ding , Bhavya Kailkhura , Xue Lin

Graph Neural Networks (GNNs) have been studied through the lens of expressive power and generalization. However, their optimization properties are less well understood. We take the first step towards analyzing GNN training by studying the…

机器学习 · 计算机科学 2021-05-27 Keyulu Xu , Mozhi Zhang , Stefanie Jegelka , Kenji Kawaguchi

A wide range of graph embedding objectives decompose into two components: one that enforces similarity, attracting the embeddings of nodes that are perceived as similar, and another that enforces dissimilarity, repelling the embeddings of…

机器学习 · 计算机科学 2025-06-03 David Liu , Arjun Seshadri , Tina Eliassi-Rad , Johan Ugander