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Graph neural networks trained to predict observable dynamics can be used to decompose the temporal activity of complex heterogeneous systems into simple, interpretable representations. Here we apply this framework to simulated neural…

Neurons and Cognition · Quantitative Biology 2026-02-17 Cédric Allier , Larissa Heinrich , Magdalena Schneider , Stephan Saalfeld

This paper addresses the problem of optimizing the allocation of labeling resources for semi-supervised belief representation learning in social networks. The objective is to strategically identify valuable messages on social media graphs…

Machine Learning · Computer Science 2024-10-28 Dachun Sun , Ruijie Wang , Jinning Li , Ruipeng Han , Xinyi Liu , You Lyu , Tarek Abdelzaher

Representation learning on text-attributed graphs (TAGs) integrates structural connectivity with rich textual semantics, enabling applications in diverse domains. Current methods largely rely on contrastive learning to maximize cross-modal…

Graphics · Computer Science 2025-10-15 Heng Zhang , Tianyi Zhang , Yuling Shi , Xiaodong Gu , Yaomin Shen , Zijian Zhang , Yilei Yuan , Hao Zhang , Jin Huang

Graph unlearning, which deletes graph elements such as nodes and edges from trained graph neural networks (GNNs), is crucial for real-world applications where graph data may contain outdated, inaccurate, or privacy-sensitive information.…

Machine Learning · Computer Science 2025-05-20 Pengfei Ding , Yan Wang , Guanfeng Liu , Jiajie Zhu

Albeit having gained significant progress lately, large-scale graph representation learning remains expensive to train and deploy for two main reasons: (i) the repetitive computation of multi-hop message passing and non-linearity in graph…

Machine Learning · Computer Science 2023-03-10 Zhenshuo Zhang , Yun Zhu , Haizhou Shi , Siliang Tang

Owing to their unprecedented comprehension capabilities, large language models (LLMs) have become indispensable components of modern web search engines. From a technical perspective, this integration represents retrieval-augmented…

Information Retrieval · Computer Science 2026-02-10 Xingyuan Zeng , Zuohan Wu , Yue Wang , Chen Zhang , Quanming Yao , Libin Zheng , Jian Yin

Graph neural networks (GNNs) achieve strong performance on homophilic graphs but often struggle under heterophily, where adjacent nodes frequently belong to different classes. We propose an interpretable and adaptive framework for…

Machine Learning · Computer Science 2025-12-30 Soroush Vahidi

Graph Attention Networks (GATs) have emerged as powerful models for learning expressive representations from such data by adaptively weighting neighboring nodes through attention mechanisms. However, most existing approaches primarily rely…

Machine Learning · Computer Science 2026-02-05 Farshad Noravesh , Reza Haffari , Layki Soon , Arghya Pal

Graph neural networks are attractive for learning properties of atomic structures thanks to their intuitive graph encoding of atoms and bonds. However, conventional encoding does not include angular information, which is critical for…

Although algebraic graph theory based models have been widely applied in physical modeling and molecular studies, they are typically incompetent in the analysis and prediction of biomolecular properties when compared with other quantitative…

Biomolecules · Quantitative Biology 2018-12-21 Duc Duy Nguyen , Guo-Wei Wei

Learning distributions of graphs can be used for automatic drug discovery, molecular design, complex network analysis, and much more. We present an improved framework for learning generative models of graphs based on the idea of deep state…

Machine Learning · Computer Science 2021-12-07 Julian Stier , Michael Granitzer

Graph signal processing (GSP) is a key tool for satisfying the growing demand for information processing over networks. However, the success of GSP in downstream learning and inference tasks is heavily dependent on the prior identification…

Signal Processing · Electrical Eng. & Systems 2021-03-29 Seyed Saman Saboksayr , Gonzalo Mateos , Mujdat Cetin

Graphs are a fundamental abstraction for modeling relational data. However, graphs are discrete and combinatorial in nature, and learning representations suitable for machine learning tasks poses statistical and computational challenges. In…

Machine Learning · Statistics 2019-05-16 Aditya Grover , Aaron Zweig , Stefano Ermon

Recent works on representation learning for graph structured data predominantly focus on learning distributed representations of graph substructures such as nodes and subgraphs. However, many graph analytics tasks such as graph…

Artificial Intelligence · Computer Science 2017-07-18 Annamalai Narayanan , Mahinthan Chandramohan , Rajasekar Venkatesan , Lihui Chen , Yang Liu , Shantanu Jaiswal

Attributed graph clustering is challenging as it requires joint modelling of graph structures and node attributes. Recent progress on graph convolutional networks has proved that graph convolution is effective in combining structural and…

Machine Learning · Computer Science 2019-06-05 Xiaotong Zhang , Han Liu , Qimai Li , Xiao-Ming Wu

In today's information-driven world, access to scientific publications has become increasingly easy. At the same time, filtering through the massive volume of available research has become more challenging than ever. Graph Neural Networks…

Information Retrieval · Computer Science 2025-12-23 Shikshya Shiwakoti , Samuel Goldsmith , Ujjwal Pandit

Graph Neural Networks (GNNs) are a popular class of machine learning models. Inspired by the learning to explain (L2X) paradigm, we propose L2XGNN, a framework for explainable GNNs which provides faithful explanations by design. L2XGNN…

Machine Learning · Computer Science 2024-06-17 Giuseppe Serra , Mathias Niepert

Rule-based models, e.g., decision trees, are widely used in scenarios demanding high model interpretability for their transparent inner structures and good model expressivity. However, rule-based models are hard to optimize, especially on…

Machine Learning · Computer Science 2021-10-01 Zhuo Wang , Wei Zhang , Ning Liu , Jianyong Wang

With the rising interest in graph representation learning, a variety of approaches have been proposed to effectively capture a graph's properties. While these approaches have improved performance in graph machine learning tasks compared to…

Machine Learning · Computer Science 2019-10-09 Antonia Gogoglou , C. Bayan Bruss , Keegan E. Hines

Graph neural networks (GNNs) have emerged as a powerful model to capture critical graph patterns. Instead of treating them as black boxes in an end-to-end fashion, attempts are arising to explain the model behavior. Existing works mainly…

Machine Learning · Computer Science 2024-02-22 Yi Nian , Yurui Chang , Wei Jin , Lu Lin