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Graph prediction problems prevail in data analysis and machine learning. The inverse prediction problem, namely to infer input data from given output labels, is of emerging interest in various applications. In this work, we develop…

Machine Learning · Statistics 2022-11-22 Chen Xu , Xiuyuan Cheng , Yao Xie

Recently, subgraphs-enhanced Graph Neural Networks (SGNNs) have been introduced to enhance the expressive power of Graph Neural Networks (GNNs), which was proved to be not higher than the 1-dimensional Weisfeiler-Leman isomorphism test. The…

Machine Learning · Computer Science 2023-01-20 Michele Guerra , Indro Spinelli , Simone Scardapane , Filippo Maria Bianchi

Graph Neural Networks (GNNs) are powerful machine learning prediction models on graph-structured data. However, GNNs lack rigorous uncertainty estimates, limiting their reliable deployment in settings where the cost of errors is…

Machine Learning · Computer Science 2023-11-01 Kexin Huang , Ying Jin , Emmanuel Candès , Jure Leskovec

This paper studies node classification in the inductive setting, i.e., aiming to learn a model on labeled training graphs and generalize it to infer node labels on unlabeled test graphs. This problem has been extensively studied with graph…

Machine Learning · Computer Science 2022-04-18 Meng Qu , Huiyu Cai , Jian Tang

Graph Neural Networks (GNNs) are effective tools for graph representation learning. Most GNNs rely on a recursive neighborhood aggregation scheme, named message passing, thereby their theoretical expressive power is limited to the…

Machine Learning · Computer Science 2023-09-19 Dingmin Wang , Shengchao Liu , Hanchen Wang , Bernardo Cuenca Grau , Linfeng Song , Jian Tang , Song Le , Qi Liu

In recent years, algorithms and neural architectures based on the Weisfeiler--Leman algorithm, a well-known heuristic for the graph isomorphism problem, have emerged as a powerful tool for machine learning with graphs and relational data.…

Neural networks that process the parameters of other neural networks find applications in domains as diverse as classifying implicit neural representations, generating neural network weights, and predicting generalization errors. However,…

Incorporating knowledge graph into recommender systems has attracted increasing attention in recent years. By exploring the interlinks within a knowledge graph, the connectivity between users and items can be discovered as paths, which…

Information Retrieval · Computer Science 2018-11-13 Xiang Wang , Dingxian Wang , Canran Xu , Xiangnan He , Yixin Cao , Tat-Seng Chua

Graph Neural Networks (GNNs) have achieved remarkable success in various graph-based tasks (e.g., node classification or link prediction). Despite their triumphs, GNNs still face challenges such as long training and inference times,…

Machine Learning · Computer Science 2025-07-15 Chu-Yuan Wei , Shun-Yao Liu , Sheng-Da Zhuo , Chang-Dong Wang , Shu-Qiang Huang , Mohsen Guizani

We introduce a new class of auto-encoders for directed graphs, motivated by a direct extension of the Weisfeiler-Leman algorithm to pairs of node labels. The proposed model learns pairs of interpretable latent representations for the nodes…

Machine Learning · Computer Science 2022-02-28 Georgios Kollias , Vasileios Kalantzis , Tsuyoshi Idé , Aurélie Lozano , Naoki Abe

Pre-training of neural networks has recently revolutionized the field of Natural Language Processing (NLP) and has before demonstrated its effectiveness in computer vision. At the same time, advances around the detection of fake news were…

Computation and Language · Computer Science 2024-02-29 Gregor Donabauer , Udo Kruschwitz

Recently, the Weisfeiler-Lehman (WL) graph isomorphism test was used to measure the expressive power of graph neural networks (GNN). It was shown that the popular message passing GNN cannot distinguish between graphs that are…

Machine Learning · Computer Science 2020-06-11 Haggai Maron , Heli Ben-Hamu , Hadar Serviansky , Yaron Lipman

Robustness in complex systems is of significant engineering and economic importance. However, conventional attack-based a posteriori robustness assessments incur prohibitive computational overhead. Recently, deep learning methods, such as…

Machine Learning · Computer Science 2025-12-29 Chengyu Tian , Wenbin Pei

Layer-wise relevance propagation (LRP) is a recently proposed technique for explaining predictions of complex non-linear classifiers in terms of input variables. In this paper, we apply LRP for the first time to natural language processing…

Computation and Language · Computer Science 2016-06-24 Leila Arras , Franziska Horn , Grégoire Montavon , Klaus-Robert Müller , Wojciech Samek

"Thinking in pictures," [1] i.e., spatial-temporal reasoning, effortless and instantaneous for humans, is believed to be a significant ability to perform logical induction and a crucial factor in the intellectual history of technology…

Computer Vision and Pattern Recognition · Computer Science 2019-12-03 Chi Zhang , Baoxiong Jia , Feng Gao , Yixin Zhu , Hongjing Lu , Song-Chun Zhu

Predicting the emergence of links in large evolving networks is a difficult task with many practical applications. Recently, the Science4cast competition has illustrated this challenge presenting a network of 64.000 AI concepts and asking…

Social and Information Networks · Computer Science 2022-01-26 Francisco Andrades , Ricardo Ñanculef

Constructing appropriate representations of molecules lies at the core of numerous tasks such as material science, chemistry and drug designs. Recent researches abstract molecules as attributed graphs and employ graph neural networks (GNN)…

Machine Learning · Computer Science 2021-07-29 Jianwen Chen , Shuangjia Zheng , Ying Song , Jiahua Rao , Yuedong Yang

The ability of a graph neural network (GNN) to leverage both the graph topology and graph labels is fundamental to building discriminative node and graph embeddings. Building on previous work, we theoretically show that edGNN, our model for…

Machine Learning · Computer Science 2019-12-05 Guillaume Jaume , An-phi Nguyen , María Rodríguez Martínez , Jean-Philippe Thiran , Maria Gabrani

In recent years, artificial intelligence (AI) systems have come to the forefront. These systems, mostly based on Deep learning (DL), achieve excellent results in areas such as image processing, natural language processing, or speech…

Computer Vision and Pattern Recognition · Computer Science 2023-04-18 Frantisek Sefcik , Wanda Benesova

Cross-graph Relational Learning (CGRL) refers to the problem of predicting the strengths or labels of multi-relational tuples of heterogeneous object types, through the joint inference over multiple graphs which specify the internal…

Machine Learning · Computer Science 2016-05-09 Hanxiao Liu , Yiming Yang