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Traditional clustering algorithms often struggle to capture the complex relationships within graphs and generalise to arbitrary clustering criteria. The emergence of graph neural networks (GNNs) as a powerful framework for learning…

Biological Physics · Physics 2024-09-06 Sam Alexander Martino , João Morado , Chenghao Li , Zhenghao Lu , Edina Rosta

The success of machine learning solutions for reasoning about discrete structures has brought attention to its adoption within combinatorial optimization algorithms. Such approaches generally rely on supervised learning by leveraging…

Machine Learning · Computer Science 2022-03-17 Ismail R. Alkhouri , George K. Atia , Alvaro Velasquez

Graph neural networks (GNNs) have achieved great success on various tasks and fields that require relational modeling. GNNs aggregate node features using the graph structure as inductive biases resulting in flexible and powerful models.…

Machine Learning · Computer Science 2021-06-25 Mandeep Rathee , Zijian Zhang , Thorben Funke , Megha Khosla , Avishek Anand

In recent years, Graph Neural Networks (GNNs) have been utilized for various applications ranging from drug discovery to network design and social networks. In many applications, it is impossible to observe some properties of the graph…

Machine Learning · Computer Science 2025-03-12 Moshe Eliasof , Md Shahriar Rahim Siddiqui , Carola-Bibiane Schönlieb , Eldad Haber

Graph, such as citation networks, social networks, and transportation networks, are prevalent in the real world. Graph Neural Networks (GNNs) have gained widespread attention for their robust expressiveness and exceptional performance in…

Machine Learning · Computer Science 2023-03-01 Jing Liu , Tongya Zheng , Guanzheng Zhang , Qinfen Hao

Searching for a path between two nodes in a graph is one of the most well-studied and fundamental problems in computer science. In numerous domains such as robotics, AI, or biology, practitioners develop search heuristics to accelerate…

Machine Learning · Computer Science 2023-01-12 Michal Pándy , Weikang Qiu , Gabriele Corso , Petar Veličković , Rex Ying , Jure Leskovec , Pietro Liò

Quadratic Assignment Problem (QAP) is a practical combinatorial optimization problems that has been studied for several years. Since it is NP-hard, solving large problem instances of QAP is challenging. Although heuristics can find…

Machine Learning · Computer Science 2024-04-02 Satoko Iida , Ryota Yasudo

We present a novel neural architecture to solve graph optimization problems where the solution consists of arbitrary node labels, allowing us to solve hard problems like graph coloring. We train our model using reinforcement learning,…

Machine Learning · Computer Science 2022-05-11 Lukas Gianinazzi , Maximilian Fries , Nikoli Dryden , Tal Ben-Nun , Maciej Besta , Torsten Hoefler

Current graph neural networks (GNNs) lack generalizability with respect to scales (graph sizes, graph diameters, edge weights, etc..) when solving many graph analysis problems. Taking the perspective of synthesizing graph theory programs,…

Machine Learning · Computer Science 2020-10-27 Hao Tang , Zhiao Huang , Jiayuan Gu , Bao-Liang Lu , Hao Su

Recommendation systems aim to provide personalized predictions by identifying items that are most appealing to individual users. Among various recommendation approaches, k-nearest-neighbor (kNN)-based collaborative filtering (CF) remains…

Information Retrieval · Computer Science 2025-12-16 Yongyu Wang

Solutions to the Traveling Salesperson Problem (TSP) have practical applications to processes in transportation, logistics, and automation, yet must be computed with minimal delay to satisfy the real-time nature of the underlying tasks.…

Machine Learning · Computer Science 2022-04-06 Benjamin Hudson , Qingbiao Li , Matthew Malencia , Amanda Prorok

Knowledge graphs are structured representations of facts in a graph, where nodes represent entities and edges represent relationships between them. Recent research has resulted in the development of several large KGs. However, all of them…

Computation and Language · Computer Science 2020-04-17 Shikhar Vashishth

Motivated by the real-world problem of international kidney exchange (IKEP), recent literature introduced a generalized transferable utility matching game featuring a partition of the vertex set of a graph into players, and analyzed its…

Computer Science and Game Theory · Computer Science 2026-02-24 Gergely Csáji , Tamás Király , Zsuzsa Mészáros-Karkus

Graph Neural Networks (GNNs) have attracted tremendous attention by demonstrating their capability to handle graph data. However, they are difficult to be deployed in resource-limited devices due to model sizes and scalability constraints…

Machine Learning · Computer Science 2023-02-02 Yijun Tian , Shichao Pei , Xiangliang Zhang , Chuxu Zhang , Nitesh V. Chawla

The design of good heuristics or approximation algorithms for NP-hard combinatorial optimization problems often requires significant specialized knowledge and trial-and-error. Can we automate this challenging, tedious process, and learn the…

Machine Learning · Computer Science 2018-02-23 Hanjun Dai , Elias B. Khalil , Yuyu Zhang , Bistra Dilkina , Le Song

Graph Neural Networks (GNNs) are widely applied to graph learning problems such as node classification. When scaling up the underlying graphs of GNNs to a larger size, we are forced to either train on the complete graph and keep the full…

Machine Learning · Computer Science 2024-06-25 Mucong Ding , Tahseen Rabbani , Bang An , Evan Z Wang , Furong Huang

We propose a novel solution to addressing a long-standing dilemma in the representation learning of graph neural networks (GNNs): how to effectively capture and represent useful information embedded in long-distance nodes to improve the…

Machine Learning · Computer Science 2022-02-17 Ailing Zeng , Minhao Liu , Zhiwei Liu , Ruiyuan Gao , Jing Qin , Qiang Xu

We propose a novel deep learning (DL) approach to solve one-dimensional non-linear elliptic, parabolic, and hyperbolic problems on graphs. A system of physics-informed neural network (PINN) models is used to solve the differential…

Machine Learning · Computer Science 2022-10-11 Yuanyuan Zhao , Massimiliano Lupo Pasini

This paper studies faithful explanations for Graph Neural Networks (GNNs). First, we provide a new and general method for formally characterizing the faithfulness of explanations for GNNs. It applies to existing explanation methods,…

Machine Learning · Computer Science 2022-05-25 Zifan Wang , Yuhang Yao , Chaoran Zhang , Han Zhang , Youjie Kang , Carlee Joe-Wong , Matt Fredrikson , Anupam Datta

Consider a kidney-exchange application where we want to find a max-matching in a random graph. To find whether an edge $e$ exists, we need to perform an expensive test, in which case the edge $e$ appears independently with a \emph{known}…

Data Structures and Algorithms · Computer Science 2019-02-07 Domagoj Bradac , Sahil Singla , Goran Zuzic
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