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Designing expressive Graph Neural Networks (GNNs) is a fundamental topic in the graph learning community. So far, GNN expressiveness has been primarily assessed via the Weisfeiler-Lehman (WL) hierarchy. However, such an expressivity measure…

Machine Learning · Computer Science 2024-01-17 Bohang Zhang , Jingchu Gai , Yiheng Du , Qiwei Ye , Di He , Liwei Wang

We propose a learning framework for graph kernels, which is theoretically grounded on regularizing optimal transport. This framework provides a novel optimal transport distance metric, namely Regularized Wasserstein (RW) discrepancy, which…

Machine Learning · Computer Science 2021-10-11 Asiri Wijesinghe , Qing Wang , Stephen Gould

Knowledge graphs (KGs) enhance the performance of large language models (LLMs) and search engines by providing structured, interconnected data that improves reasoning and context-awareness. However, KGs only focus on text data, thereby…

Computation and Language · Computer Science 2024-08-09 Khai Le-Duc , Quy-Anh Dang , Tan-Hanh Pham , Truong-Son Hy

The k-nearest neighbors (kNN) algorithm is a cornerstone of non-parametric classification in artificial intelligence, yet its deployment in large-scale applications is persistently constrained by the computational trade-off between…

Machine Learning · Computer Science 2026-01-26 Jiaye Li , Gang Chen , Hang Xu , Shichao Zhang

Graph Contrastive Learning (GCL) has emerged as a powerful paradigm for training Graph Neural Networks (GNNs) in the absence of task-specific labels. However, its scalability on large-scale graphs is hindered by the intensive message…

Machine Learning · Computer Science 2025-11-12 Xiang Chen , Kun Yue , Wenjie Liu , Zhenyu Zhang , Liang Duan

We present graph wavelet neural network (GWNN), a novel graph convolutional neural network (CNN), leveraging graph wavelet transform to address the shortcomings of previous spectral graph CNN methods that depend on graph Fourier transform.…

Machine Learning · Computer Science 2019-04-17 Bingbing Xu , Huawei Shen , Qi Cao , Yunqi Qiu , Xueqi Cheng

Attributed graphs, typically characterized by irregular topologies and a mix of numerical and categorical attributes, are ubiquitous in diverse domains such as social networks, bioinformatics, and cheminformatics. While graph kernels…

Machine Learning · Computer Science 2025-11-17 Hong Huang , Chengyu Yao , Haiming Chen , Hang Gao

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

Machine Learning · Computer Science 2021-11-23 Christopher Morris , Matthias Fey , Nils M. Kriege

Inspired by the notion that ``{\it to copy is easier than to memorize}``, in this work, we introduce GNN-LM, which extends the vanilla neural language model (LM) by allowing to reference similar contexts in the entire training corpus. We…

Computation and Language · Computer Science 2022-05-05 Yuxian Meng , Shi Zong , Xiaoya Li , Xiaofei Sun , Tianwei Zhang , Fei Wu , Jiwei Li

Graph problems are fundamentally challenging for large language models (LLMs). While LLMs excel at processing unstructured text, graph tasks require reasoning over explicit structure, permutation invariance, and computationally complex…

Machine Learning · Computer Science 2026-04-23 Angelo Zangari , Peyman Baghershahi , Sourav Medya

Graphs are pervasive in the real-world, such as social network analysis, bioinformatics, and knowledge graphs. Graph neural networks (GNNs) have great ability in node classification, a fundamental task on graphs. Unfortunately, conventional…

Machine Learning · Computer Science 2024-09-05 Quan Li , Tianxiang Zhao , Lingwei Chen , Junjie Xu , Suhang Wang

Deep learning methods for graphs achieve remarkable performance on many node-level and graph-level prediction tasks. However, despite the proliferation of the methods and their success, prevailing Graph Neural Networks (GNNs) neglect…

Machine Learning · Computer Science 2020-11-10 Emily Alsentzer , Samuel G. Finlayson , Michelle M. Li , Marinka Zitnik

This study explores the effectiveness of using knowledge graphs generated by large language models to decompose high school-level physics questions into sub-questions. We introduce a pipeline aimed at enhancing model response quality for…

Graph data, with its structurally variable nature, represents complex real-world phenomena like chemical compounds, protein structures, and social networks. Traditional Graph Neural Networks (GNNs) primarily utilize the message-passing…

Machine Learning · Computer Science 2025-02-05 Jianming Huang , Hiroyuki Kasai

Neighborhood Aggregation Strategy (NAS) is a widely used approach in graph embedding, underpinning both Graph Neural Networks (GNNs) and Weisfeiler-Lehman (WL) methods. However, NAS-based methods are identified to be prone to…

Machine Learning · Computer Science 2026-02-17 Shuaibin Song , Kai Ming Ting , Kaifeng Zhang , Tianrun Liang

Graph-based methods pervade the inference toolkits of numerous disciplines including sociology, biology, neuroscience, physics, chemistry, and engineering. A challenging problem encountered in this context pertains to determining the…

Machine Learning · Computer Science 2018-09-25 Daniel Romero , Vassilis N. Ioannidis , Georgios B. Giannakis

This paper advocates incorporating a Low-Rank Global Attention (LRGA) module, a computation and memory efficient variant of the dot-product attention (Vaswani et al., 2017), to Graph Neural Networks (GNNs) for improving their generalization…

Machine Learning · Computer Science 2020-11-13 Omri Puny , Heli Ben-Hamu , Yaron Lipman

As KGs are symbolic constructs, specialized techniques have to be applied in order to make them compatible with data mining techniques. RDF2Vec is an unsupervised technique that can create task-agnostic numerical representations of the…

While Graph Neural Networks (GNNs) are powerful models for learning representations on graphs, most state-of-the-art models do not have significant accuracy gain beyond two to three layers. Deep GNNs fundamentally need to address: 1).…

Graph Neural Networks (GNNs) are recently proposed neural network structures for the processing of graph-structured data. Due to their employed neighbor aggregation strategy, existing GNNs focus on capturing node-level information and…

Machine Learning · Computer Science 2022-01-05 Xing Ai , Chengyu Sun , Zhihong Zhang , Edwin R Hancock