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Graph similarity computation aims to predict a similarity score between one pair of graphs to facilitate downstream applications, such as finding the most similar chemical compounds similar to a query compound or Fewshot 3D Action…

Machine Learning · Computer Science 2021-01-06 Haoyan Xu , Ziheng Duan , Jie Feng , Runjian Chen , Qianru Zhang , Zhongbin Xu , Yueyang Wang

The purpose of this article is to introduce a new iterative algorithm with properties resembling real life bipartite graphs. The algorithm enables us to generate wide range of random bigraphs, which features are determined by a set of…

Artificial Intelligence · Computer Science 2010-11-03 Szymon Chojnacki , Mieczysław Kłopotek

Graph-based approaches are empirically shown to be very successful for the nearest neighbor search (NNS). However, there has been very little research on their theoretical guarantees. We fill this gap and rigorously analyze the performance…

Data Structures and Algorithms · Computer Science 2020-08-21 Liudmila Prokhorenkova , Aleksandr Shekhovtsov

Recently, techniques for applying convolutional neural networks to graph-structured data have emerged. Graph convolutional neural networks (GCNNs) have been used to address node and graph classification and matrix completion. Although the…

Machine Learning · Statistics 2018-11-28 Yingxue Zhang , Soumyasundar Pal , Mark Coates , Deniz Üstebay

Approximation-based spectral graph neural networks, which construct graph filters with function approximation, have shown substantial performance in graph learning tasks. Despite their great success, existing works primarily employ…

Machine Learning · Computer Science 2025-05-21 Guoming Li , Jian Yang , Shangsong Liang

Program synthesis is the task to automatically generate programs based on user specification. In this paper, we present a framework that synthesizes programs from flow charts that serve as accurate and intuitive specifications. In order…

Computer Vision and Pattern Recognition · Computer Science 2020-11-12 Lin Cheng , Zijiang Yang

Neural-symbolic computing has now become the subject of interest of both academic and industry research laboratories. Graph Neural Networks (GNN) have been widely used in relational and symbolic domains, with widespread application of GNNs…

Artificial Intelligence · Computer Science 2021-06-15 Luis C. Lamb , Artur Garcez , Marco Gori , Marcelo Prates , Pedro Avelar , Moshe Vardi

In recent years, there has been notable interest in investigating combinatorial optimization (CO) problems by neural-based framework. An emerging strategy to tackle these challenging problems involves the adoption of graph neural networks…

Machine Learning · Computer Science 2024-06-11 Yang Liu , Chuan Zhou , Peng Zhang , Shirui Pan , Zhao Li , Hongyang Chen

Uncovering rationales behind predictions of graph neural networks (GNNs) has received increasing attention over the years. Existing literature mainly focus on selecting a subgraph, through combinatorial optimization, to provide faithful…

Machine Learning · Computer Science 2023-03-07 Wenqian Li , Yinchuan Li , Zhigang Li , Jianye Hao , Yan Pang

Graph Neural Networks (GNNs) have proven to be highly effective for node classification tasks across diverse graph structural patterns. Traditionally, GNNs employ a uniform global filter, typically a low-pass filter for homophilic graphs…

Machine Learning · Computer Science 2024-06-06 Haoyu Han , Juanhui Li , Wei Huang , Xianfeng Tang , Hanqing Lu , Chen Luo , Hui Liu , Jiliang Tang

Due to mutual interference between users, power allocation problems in wireless networks are often non-convex and computationally challenging. Graph neural networks (GNNs) have recently emerged as a promising approach to tackling these…

Networking and Internet Architecture · Computer Science 2024-01-09 Lili Chen , Jingge Zhu , Jamie Evans

Image matching is a key component of many tasks in computer vision and its main objective is to find correspondences between features extracted from different natural images. When images are represented as graphs, image matching boils down…

Computer Vision and Pattern Recognition · Computer Science 2022-05-31 Nancy Xu , Giannis Nikolentzos , Michalis Vazirgiannis , Henrik Boström

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 significant increase in world population and urbanisation has brought several important challenges, in particular regarding the sustainability, maintenance and planning of urban mobility. At the same time, the exponential increase of…

Machine Learning · Computer Science 2021-04-28 João Rico , José Barateiro , Arlindo Oliveira

Graph neural networks (GNNs) have emerged as a powerful tool for learning software engineering tasks including code completion, bug finding, and program repair. They benefit from leveraging program structure like control flow graphs, but…

Machine Learning · Computer Science 2020-10-27 David Bieber , Charles Sutton , Hugo Larochelle , Daniel Tarlow

Graph representation learning has been widely studied and demonstrated effectiveness in various graph tasks. Most existing works embed graph data in the Euclidean space, while recent works extend the embedding models to hyperbolic or…

Machine Learning · Computer Science 2023-04-04 Cheng Deng , Fan Xu , Jiaxing Ding , Luoyi Fu , Weinan Zhang , Xinbing Wang

Feature-based image matching has extensive applications in computer vision. Keypoints detected in images can be naturally represented as graph structures, and Graph Neural Networks (GNNs) have been shown to outperform traditional deep…

Computer Vision and Pattern Recognition · Computer Science 2025-08-29 Xianfeng Song , Yi Zou , Zheng Shi , Zheng Liu

In this paper we describe a new brute force algorithm for building the $k$-Nearest Neighbor Graph ($k$-NNG). The $k$-NNG algorithm has many applications in areas such as machine learning, bio-informatics, and clustering analysis. While…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-06-17 Ivan Komarov , Ali Dashti , Roshan D'Souza

We present graph partition neural networks (GPNN), an extension of graph neural networks (GNNs) able to handle extremely large graphs. GPNNs alternate between locally propagating information between nodes in small subgraphs and globally…

Machine Learning · Computer Science 2018-03-19 Renjie Liao , Marc Brockschmidt , Daniel Tarlow , Alexander L. Gaunt , Raquel Urtasun , Richard Zemel

Graph Neural Networks (GNNs) are powerful deep learning models to generate node embeddings on graphs. When applying deep GNNs on large graphs, it is still challenging to perform training in an efficient and scalable way. We propose a novel…

Machine Learning · Computer Science 2020-10-08 Hanqing Zeng , Hongkuan Zhou , Ajitesh Srivastava , Rajgopal Kannan , Viktor Prasanna