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Graph neural networks (GNNs) have been demonstrated to achieve state-of-the-art for a number of graph-based learning tasks, which leads to a rise in their employment in various domains. However, it has been shown that GNNs may inherit and…

Machine Learning · Computer Science 2022-05-23 O. Deniz Kose , Yanning Shen

Mini-batch training of Graph Neural Networks (GNNs) is fundamentally different from training on i.i.d. data: sampling a subgraph alters the topology and introduces boundary effects, leading prior work to develop structure-aware samplers…

Machine Learning · Computer Science 2026-05-22 Clement Wang , Antoine Vialle , Robin Vaysse , Thomas Bonald

We present the first unsupervised learning model for Maximum-Independent-Set (MaxIS) in dynamic graphs where edges change over time. Our method combines structural learning from graph neural networks (GNNs) with a learned distributed update…

Machine Learning · Computer Science 2026-04-17 Devendra Parkar , Anya Chaturvedi , Joshua J. Daymude

Normalization is known to help the optimization of deep neural networks. Curiously, different architectures require specialized normalization methods. In this paper, we study what normalization is effective for Graph Neural Networks (GNNs).…

Machine Learning · Computer Science 2021-06-14 Tianle Cai , Shengjie Luo , Keyulu Xu , Di He , Tie-Yan Liu , Liwei Wang

Neural Architecture Search (NAS) methods have shown to output networks that largely outperform human-designed networks. However, conventional NAS methods have mostly tackled the single dataset scenario, incuring in a large computational…

Computer Vision and Pattern Recognition · Computer Science 2024-05-14 Sofia Casarin , Oswald Lanz , Sergio Escalera

Graph partitioning is the problem of dividing the nodes of a graph into balanced partitions while minimizing the edge cut across the partitions. Due to its combinatorial nature, many approximate solutions have been developed, including…

Machine Learning · Computer Science 2019-03-05 Azade Nazi , Will Hang , Anna Goldie , Sujith Ravi , Azalia Mirhoseini

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…

Discrete Mathematics · Computer Science 2019-01-14 Andreas Brandstädt , Raffaele Mosca

Deep neural networks have enabled researchers to create powerful generalized frameworks, such as transformers, that can be used to solve well-studied problems in various application domains, such as text and image. However, such generalized…

Machine Learning · Computer Science 2025-02-12 Rudrajit Dawn , Madhusudan Ghosh , Partha Basuchowdhuri , Sudip Kumar Naskar

Graph Neural Networks (GNNs) have achieved remarkable performance in a wide range of graph-related learning tasks. However, explaining their predictions remains a challenging problem, especially due to the mismatch between the graphs used…

Machine Learning · Computer Science 2025-08-05 Zhuomin Chen , Jingchao Ni , Hojat Allah Salehi , Xu Zheng , Dongsheng Luo

Combinatorial optimization (CO) problems are challenging as the computation time grows exponentially with the input. Graph Neural Networks (GNNs) show promise for researchers in solving CO problems. This study investigates the effectiveness…

Optimization and Control · Mathematics 2024-11-12 Chenchuhui Hu

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

Graph Neural Networks (GNNs) have emerged as a powerful and flexible framework for representation learning on irregular data. As they generalize the operations of classical CNNs on grids to arbitrary topologies, GNNs also bring much of the…

Machine Learning · Computer Science 2021-03-31 Mehdi Bahri , Gaétan Bahl , Stefanos Zafeiriou

Graph Neural Networks (GNNs) have achieved state-of-the-art performance in solving graph classification tasks. However, most GNN architectures aggregate information from all nodes and edges in a graph, regardless of their relevance to the…

Machine Learning · Statistics 2024-04-19 Pablo Sanchez-Martin , Kinaan Aamir Khan , Isabel Valera

We leverage physics-embedded differentiable graph network simulators (GNS) to accelerate particulate and fluid simulations to solve forward and inverse problems. GNS represents the domain as a graph with particles as nodes and learned…

Geophysics · Physics 2023-09-26 Krishna Kumar , Yongjin Choi

Accurate simulation of granular flow dynamics is crucial for assessing various geotechnical risks, including landslides and debris flows. Granular flows involve a dynamic rearrangement of particles exhibiting complex transitions from…

Geophysics · Physics 2023-12-13 Yongjin Choi , Krishna Kumar

Physics-inspired graph neural networks (PI-GNNs) have been utilized as an efficient unsupervised framework for relaxing combinatorial optimization problems encoded through a specific graph structure and loss, reflecting dependencies between…

Machine Learning · Computer Science 2025-10-24 Martin Krutský , Gustav Šír , Vyacheslav Kungurtsev , Georgios Korpas

Graph Neural Networks (GNNs) have achieved tremendous success in graph representation learning. Unfortunately, current GNNs usually rely on loading the entire attributed graph into network for processing. This implicit assumption may not be…

Machine Learning · Computer Science 2022-02-15 Junfu Wang , Yunhong Wang , Zhen Yang , Liang Yang , Yuanfang Guo

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 Neural Networks (GNNs) are a broad class of connectionist models for graph processing. Recent studies have shown that GNNs can approximate any function on graphs, modulo the equivalence relation on graphs defined by the…

Machine Learning · Computer Science 2024-08-21 Giuseppe Alessio D'Inverno , Monica Bianchini , Maria Lucia Sampoli , Franco Scarselli

Most existing Graph Neural Networks (GNNs) are proposed without considering the selection bias in data, i.e., the inconsistent distribution between the training set with test set. In reality, the test data is not even available during the…

Machine Learning · Computer Science 2022-01-27 Shaohua Fan , Xiao Wang , Chuan Shi , Kun Kuang , Nian Liu , Bai Wang