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Graph Neural Networks (GNNs) have shown remarkable success across various scientific fields, yet their adoption in critical decision-making is often hindered by a lack of interpretability. Recently, intrinsically interpretable GNNs have…

Machine Learning · Computer Science 2025-10-07 Cheng Xin , Fan Xu , Xin Ding , Jie Gao , Jiaxin Ding

Graph Neural Networks (GNNs) have emerged as a prominent framework for graph mining, leading to significant advances across various domains. Stemmed from the node-wise representations of GNNs, existing explanation studies have embraced the…

Machine Learning · Computer Science 2024-07-03 Yuwen Wang , Shunyu Liu , Tongya Zheng , Kaixuan Chen , Mingli Song

Graph Neural Networks (GNNs) have shown remarkable success in molecular tasks, yet their interpretability remains challenging. Traditional model-level explanation methods like XGNN and GNNInterpreter often fail to identify valid…

Machine Learning · Computer Science 2025-04-25 Zhaoning Yu , Hongyang Gao

Extracting topics from text has become an essential task, especially with the rapid growth of unstructured textual data. Most existing works rely on highly computational methods to address this challenge. In this paper, we argue that…

Computation and Language · Computer Science 2025-11-07 Salma Mekaoui , Hiba Sofyan , Imane Amaaz , Imane Benchrif , Arsalane Zarghili , Ilham Chaker , Nikola S. Nikolov

Integrating large language models (LLMs) with knowledge graphs derived from domain-specific data represents an important advancement towards more powerful and factual reasoning. As these models grow more capable, it is crucial to enable…

Artificial Intelligence · Computer Science 2024-04-19 Stefan Dernbach , Khushbu Agarwal , Alejandro Zuniga , Michael Henry , Sutanay Choudhury

This study aims to optimize the existing retrieval-augmented generation model (RAG) by introducing a graph structure to improve the performance of the model in dealing with complex knowledge reasoning tasks. The traditional RAG model has…

Information Retrieval · Computer Science 2024-11-07 Yuxin Dong , Shuo Wang , Hongye Zheng , Jiajing Chen , Zhenhong Zhang , Chihang Wang

The complicated syntax structure of natural language is hard to be explicitly modeled by sequence-based models. Graph is a natural structure to describe the complicated relation between tokens. The recent advance in Graph Neural Networks…

Computation and Language · Computer Science 2019-09-19 Wei Li , Shuheng Li , Shuming Ma , Yancheng He , Deli Chen , Xu Sun

Graph Neural Networks operate through bottom-up message-passing, fundamentally differing from human visual perception, which intuitively captures global structures first. We investigate the underappreciated potential of vision models for…

Computer Vision and Pattern Recognition · Computer Science 2025-10-30 Xinjian Zhao , Wei Pang , Zhongkai Xue , Xiangru Jian , Lei Zhang , Yaoyao Xu , Xiaozhuang Song , Shu Wu , Tianshu Yu

Graph Neural Networks (GNNs) achieve state-of-the-art performance in various graph-related tasks. However, the black-box nature often limits their interpretability and trustworthiness. Numerous explainability methods have been proposed to…

Machine Learning · Computer Science 2023-11-13 Jialin Chen , Kenza Amara , Junchi Yu , Rex Ying

Graphs serve as fundamental descriptors for systems composed of interacting elements, capturing a wide array of data types, from molecular interactions to social networks and knowledge graphs. In this paper, we present an exhaustive review…

Machine Learning · Computer Science 2024-11-13 Chenqing Hua

Generative models for graphs have been actively studied for decades, and they have a wide range of applications. Recently, learning-based graph generation that reproduces real-world graphs has been attracting the attention of many…

Machine Learning · Computer Science 2023-04-07 Kohei Watabe , Shohei Nakazawa , Yoshiki Sato , Sho Tsugawa , Kenji Nakagawa

A central question in neuroscience is how self-organizing dynamic interactions in the brain emerge on their relatively static structural backbone. Due to the complexity of spatial and temporal dependencies between different brain areas,…

Neurons and Cognition · Quantitative Biology 2020-10-15 Simon Wein , Wilhelm Malloni , Ana Maria Tomé , Sebastian M. Frank , Gina-Isabelle Henze , Stefan Wüst , Mark W. Greenlee , Elmar W. Lang

Graph Neural Networks (GNNs) have emerged as powerful tools for learning over structured data, including text-attributed graphs (TAGs), which are common in domains such as citation networks, social platforms, and knowledge graphs. GNNs are…

Machine Learning · Computer Science 2026-04-23 Peyman Baghershahi , Gregoire Fournier , Pranav Nyati , Sourav Medya

With the increasing prevalence of cross-domain Text-Attributed Graph (TAG) Data (e.g., citation networks, recommendation systems, social networks, and ai4science), the integration of Graph Neural Networks (GNNs) and Large Language Models…

Machine Learning · Computer Science 2024-12-18 Xunkai Li , Zhengyu Wu , Jiayi Wu , Hanwen Cui , Jishuo Jia , Rong-Hua Li , Guoren Wang

In real-world scientific discovery, human beings always make use of the accumulated prior knowledge with imagination pick select one or a few most promising hypotheses from large and noisy data analysis results. In this study, we introduce…

Machine Learning · Computer Science 2025-01-29 Haoran Song , Jiarui Feng , Guangfu Li , Michael Province , Philip Payne , Yixin Chen , Fuhai Li

Graph learning tasks often hinge on identifying key substructure patterns -- such as triadic closures in social networks or benzene rings in molecular graphs -- that underpin downstream performance. However, most existing graph neural…

Machine Learning · Computer Science 2025-05-27 Zehong Wang , Zheyuan Zhang , Tianyi Ma , Nitesh V Chawla , Chuxu Zhang , Yanfang Ye

Large language models (LLMs) are increasingly adopted for a variety of tasks with implicit graphical structures, such as planning in robotics, multi-hop question answering or knowledge probing, structured commonsense reasoning, and more.…

Computation and Language · Computer Science 2024-01-09 Heng Wang , Shangbin Feng , Tianxing He , Zhaoxuan Tan , Xiaochuang Han , Yulia Tsvetkov

Graphs are important data representations for describing objects and their relationships, which appear in a wide diversity of real-world scenarios. As one of a critical problem in this area, graph generation considers learning the…

Machine Learning · Computer Science 2022-10-06 Xiaojie Guo , Liang Zhao

Predictive Business Process Monitoring (PBPM) aims to forecast future events in ongoing cases based on historical event logs. While Graph Neural Networks (GNNs) are well suited to capture structural dependencies in process data, existing…

Machine Learning · Computer Science 2025-11-25 Fang Wang , Ernesto Damiani

Graph Neural Networks (GNNs) have become a building block in graph data processing, with wide applications in critical domains. The growing needs to deploy GNNs in high-stakes applications necessitate explainability for users in the…