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Message passing neural networks (MPNNs) operate on graphs by exchanging information between neigbouring nodes. MPNNs have been successfully applied to various node-, edge-, and graph-level tasks in areas like molecular science, computer…

Machine Learning · Computer Science 2025-11-05 Lisi Qarkaxhija , Anatol E. Wegner , Ingo Scholtes

Graph Neural Networks (GNNs) have achieved great success on a node classification task. Despite the broad interest in developing and evaluating GNNs, they have been assessed with limited benchmark datasets. As a result, the existing…

Machine Learning · Computer Science 2022-12-29 Seiji Maekawa , Koki Noda , Yuya Sasaki , Makoto Onizuka

Many widely used datasets for graph machine learning tasks have generally been homophilous, where nodes with similar labels connect to each other. Recently, new Graph Neural Networks (GNNs) have been developed that move beyond the homophily…

Machine Learning · Computer Science 2021-10-28 Derek Lim , Felix Hohne , Xiuyu Li , Sijia Linda Huang , Vaishnavi Gupta , Omkar Bhalerao , Ser-Nam Lim

Generating training sets for deep convolutional neural networks (DCNNs) is a bottleneck for modern real-world applications. This is a demanding task for applications where annotating training data is costly, such as in semantic…

Computer Vision and Pattern Recognition · Computer Science 2019-05-01 Christoph Mayer , Radu Timofte , Grégory Paul

Existing multi-relational graph neural networks use one of two strategies for identifying informative relations: either they reduce this problem to low-level weight learning, or they rely on handcrafted chains of relational dependencies,…

Machine Learning · Computer Science 2023-11-21 Francesco Ferrini , Antonio Longa , Andrea Passerini , Manfred Jaeger

Deployed graph neural networks (GNNs) are frozen at deployment yet must fit clean data, generalize under distribution shifts, and remain stable to perturbations. We show that static inference induces a fundamental tradeoff: improving…

Machine Learning · Computer Science 2026-02-11 Xiaoguang Guo , Zehong Wang , Jiazheng Li , Shawn Spitzel , Qi Yang , Kaize Ding , Jundong Li , Chuxu Zhang

Graph Neural Networks (GNNs) are a new and increasingly popular family of deep neural network architectures to perform learning on graphs. Training them efficiently is challenging due to the irregular nature of graph data. The problem…

Machine Learning · Computer Science 2021-06-15 Marco Serafini , Hui Guan

Despite Graph Neural Networks (GNNs) have achieved prominent success in many graph-based learning problem, such as credit risk assessment in financial networks and fake news detection in social networks. However, the trained GNNs still make…

Machine Learning · Computer Science 2023-05-26 Zirui Liu , Zhimeng Jiang , Shaochen Zhong , Kaixiong Zhou , Li Li , Rui Chen , Soo-Hyun Choi , Xia Hu

Analyzing and evaluating students' progress in any learning environment is stressful and time consuming if done using traditional analysis methods. This is further exasperated by the increasing number of students due to the shift of focus…

Computers and Society · Computer Science 2024-02-06 Abdallah Moubayed , MohammadNoor Injadat , Nouh Alhindawi , Ghassan Samara , Sara Abuasal , Raed Alazaidah

Developing strong AI signifies the arrival of technological singularity, contributing greatly to advancing human civilization and resolving social issues. Neural networks (NNs) and deep learning, which utilize NNs, are expected to lead to…

Machine Learning · Computer Science 2024-09-09 Kei Itoh

Deep Neural Networks (DNN) are known to be vulnerable to adversarial samples, the detection of which is crucial for the wide application of these DNN models. Recently, a number of deep testing methods in software engineering were proposed…

Machine Learning · Computer Science 2021-07-16 Zuohui Chen , Renxuan Wang , Jingyang Xiang , Yue Yu , Xin Xia , Shouling Ji , Qi Xuan , Xiaoniu Yang

Graph is a flexible and effective tool to represent complex structures in practice and graph neural networks (GNNs) have been shown to be effective on various graph tasks with randomly separated training and testing data. In real…

Machine Learning · Computer Science 2021-10-11 Shengyu Zhang , Kun Kuang , Jiezhong Qiu , Jin Yu , Zhou Zhao , Hongxia Yang , Zhongfei Zhang , Fei Wu

Effective implementations of sampling-based probabilistic inference often require manually constructed, model-specific proposals. Inspired by recent progresses in meta-learning for training learning agents that can generalize to unseen…

Artificial Intelligence · Computer Science 2019-01-03 Tongzhou Wang , Yi Wu , David A. Moore , Stuart J. Russell

Relational data are ubiquitous in real-world data applications, e.g., in social network analysis or biological modeling, but networks are nearly always incompletely observed. The state-of-the-art for predicting missing links in the hard…

Machine Learning · Computer Science 2025-08-13 Bisman Singh , Lucy Van Kleunen , Aaron Clauset

Graph neural networks (GNN) have recently emerged as a vehicle for applying deep network architectures to graph and relational data. However, given the increasing size of industrial datasets, in many practical situations the message passing…

Machine Learning · Computer Science 2021-11-16 Qingru Zhang , David Wipf , Quan Gan , Le Song

Knowledge graph embedding (KGE) models encode the structural information of knowledge graphs to predicting new links. Effective training of these models requires distinguishing between positive and negative samples with high precision.…

Machine Learning · Computer Science 2025-04-07 Makoto Takamoto , Daniel Oñoro-Rubio , Wiem Ben Rim , Takashi Maruyama , Bhushan Kotnis

A key performance bottleneck when training graph neural network (GNN) models on large, real-world graphs is loading node features onto a GPU. Due to limited GPU memory, expensive data movement is necessary to facilitate the storage of these…

Machine Learning · Computer Science 2024-03-26 Kezhao Huang , Haitian Jiang , Minjie Wang , Guangxuan Xiao , David Wipf , Xiang Song , Quan Gan , Zengfeng Huang , Jidong Zhai , Zheng Zhang

Graph Neural Networks (GNNs) have shown remarkable effectiveness in capturing abundant information in graph-structured data. However, the black-box nature of GNNs hinders users from understanding and trusting the models, thus leading to…

Machine Learning · Computer Science 2022-07-25 Jiaxuan Xie , Yezi Liu , Yanning Shen

The recent success of graph neural networks has significantly boosted molecular property prediction, advancing activities such as drug discovery. The existing deep neural network methods usually require large training dataset for each…

Machine Learning · Computer Science 2021-02-17 Zhichun Guo , Chuxu Zhang , Wenhao Yu , John Herr , Olaf Wiest , Meng Jiang , Nitesh V. Chawla

How can we subsample graph data so that a graph neural network (GNN) trained on the subsample achieves performance comparable to training on the full dataset? This question is of fundamental interest, as smaller datasets reduce labeling…

Machine Learning · Computer Science 2025-02-25 Mika Sarkin Jain , Stefanie Jegelka , Ishani Karmarkar , Luana Ruiz , Ellen Vitercik