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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

Graph matching can be formalized as a combinatorial optimization problem, where there are corresponding relationships between pairs of nodes that can be represented as edges. This problem becomes challenging when there are potential…

Computer Vision and Pattern Recognition · Computer Science 2023-01-06 Dongdong Chen , Yuxing Dai , Lichi Zhang , Zhihong Zhang

In this work, we propose a novel approach for subgraph matching, the problem of finding a given query graph in a large source graph, based on the fused Gromov-Wasserstein distance. We formulate the subgraph matching problem as a partial…

Information Theory · Computer Science 2024-07-01 Wen-Xin Pan , Isabel Haasler , Pascal Frossard

Subgraph matching is challenging as it necessitates time-consuming combinatorial searches. Recent Graph Neural Network (GNN)-based approaches address this issue by employing GNN encoders to extract graph information and hinge distance…

Machine Learning · Computer Science 2025-10-02 Zhouyang Liu , Ning Liu , Yixin Chen , Jiezhong He , Menghan Jia , Dongsheng Li

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

Approximate nearest neighbor search (ANNS) is a fundamental problem in databases and data mining. A scalable ANNS algorithm should be both memory-efficient and fast. Some early graph-based approaches have shown attractive theoretical…

Machine Learning · Computer Science 2025-07-08 Cong Fu , Chao Xiang , Changxu Wang , Deng Cai

Graph pattern matching involves finding exact or approximate matches for a query subgraph in a larger graph. It has been studied extensively and has strong applications in domains such as computer vision, computational biology, social…

Databases · Computer Science 2012-08-02 Sutanay Choudhury , Lawrence Holder , George Chin , John Feo

Dense subgraph extraction is a fundamental problem in graph analysis and data mining, aimed at identifying cohesive and densely connected substructures within a given graph. It plays a crucial role in various domains, including social…

Data Structures and Algorithms · Computer Science 2024-03-01 Chia-Yang Hung , Chih-Ya Shen

Deep graph embedding is an important approach for community discovery. Deep graph neural network with self-supervised mechanism can obtain the low-dimensional embedding vectors of nodes from unlabeled and unstructured graph data. The…

Social and Information Networks · Computer Science 2021-02-09 Shuliang Xu , Shenglan Liu , Lin Feng

Graph condensation aims to reduce the size of a large-scale graph dataset by synthesizing a compact counterpart without sacrificing the performance of Graph Neural Networks (GNNs) trained on it, which has shed light on reducing the…

Machine Learning · Computer Science 2024-06-19 Yuchen Zhang , Tianle Zhang , Kai Wang , Ziyao Guo , Yuxuan Liang , Xavier Bresson , Wei Jin , Yang You

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

Subgraph matching query is a fundamental problem in graph data management and has a variety of real-world applications. Several recent works utilize deep learning (DL) techniques to process subgraph matching queries. Most of them find…

Social and Information Networks · Computer Science 2025-10-29 Bin Yang , Zhaonian Zou , Jianxiong Ye

Nearest neighbor search plays a fundamental role in many disciplines such as multimedia information retrieval, data-mining, and machine learning. The graph-based search approaches show superior performance over other types of approaches in…

Information Retrieval · Computer Science 2022-04-05 Hui Wang , Yong Wang , Wan-Lei Zhao

In today's information-driven world, access to scientific publications has become increasingly easy. At the same time, filtering through the massive volume of available research has become more challenging than ever. Graph Neural Networks…

Information Retrieval · Computer Science 2025-12-23 Shikshya Shiwakoti , Samuel Goldsmith , Ujjwal Pandit

Graph representation learning aims to effectively encode high-dimensional sparse graph-structured data into low-dimensional dense vectors, which is a fundamental task that has been widely studied in a range of fields, including machine…

Training graph neural networks on large datasets has long been a challenge. Traditional approaches include efficiently representing the whole graph in-memory, designing parameter efficient and sampling-based models, and graph partitioning…

Machine Learning · Computer Science 2024-11-19 Dmytro Lopushanskyy , Borun Shi

Graph-based tasks in the zero-shot setting remain a significant challenge due to data scarcity and the inability of traditional Graph Neural Networks (GNNs) to generalize to unseen domains or label spaces. While recent advancements have…

Machine Learning · Computer Science 2026-05-22 Fengzhi Li , Liang Zhang , Yuan Zuo , Ruiqing Zhao , YanSong Liu , Yunfei Ma , Fanyu Meng , Junlan Feng

The subgraph enumeration problem asks us to find all subgraphs of a target graph that are isomorphic to a given pattern graph. Determining whether even one such isomorphic subgraph exists is NP-complete---and therefore finding all such…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-05-29 Raphael Kimmig , Henning Meyerhenke , Darren Strash

The graph identification problem consists of discovering the interactions among nodes in a network given their state/feature trajectories. This problem is challenging because the behavior of a node is coupled to all the other nodes by the…

Systems and Control · Electrical Eng. & Systems 2023-10-24 Eduardo Sebastian , Thai Duong , Nikolay Atanasov , Eduardo Montijano , Carlos Sagues

The progress in hyperbolic neural networks (HNNs) research is hindered by their absence of inductive bias mechanisms, which are essential for generalizing to new tasks and facilitating scalable learning over large datasets. In this paper,…

Machine Learning · Computer Science 2023-10-31 Nurendra Choudhary , Nikhil Rao , Chandan K. Reddy
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