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Learning generative models for graph-structured data is challenging because graphs are discrete, combinatorial, and the underlying data distribution is invariant to the ordering of nodes. However, most of the existing generative models for…

机器学习 · 计算机科学 2020-03-03 Chenhao Niu , Yang Song , Jiaming Song , Shengjia Zhao , Aditya Grover , Stefano Ermon

Graph neural networks (GNNs) have emerged as a powerful tool for nonlinear processing of graph signals, exhibiting success in recommender systems, power outage prediction, and motion planning, among others. GNNs consists of a cascade of…

机器学习 · 计算机科学 2020-12-02 Fernando Gama , Joan Bruna , Alejandro Ribeiro

Graph-based Neural Networks (GNNs) are recent models created for learning representations of nodes (and graphs), which have achieved promising results when detecting patterns that occur in large-scale data relating different entities. Among…

机器学习 · 计算机科学 2021-08-20 Ronald D. R. Pereira , Fabrício Murai

Heterophilic Graph Neural Networks (HGNNs) have shown promising results for semi-supervised learning tasks on graphs. Notably, most real-world heterophilic graphs are composed of a mixture of nodes with different neighbor patterns,…

机器学习 · 计算机科学 2025-02-26 Jinluan Yang , Zhengyu Chen , Teng Xiao , Wenqiao Zhang , Yong Lin , Kun Kuang

Graph neural networks (GNNs) naturally align with sparse operators and unstructured discretizations, making them a promising paradigm for physics-informed machine learning in computational mechanics. Motivated by discrete physics losses and…

机器学习 · 计算机科学 2026-02-10 Jianchuan Yang , Xi Chen , Jidong Zhao

We present graph partition neural networks (GPNN), an extension of graph neural networks (GNNs) able to handle extremely large graphs. GPNNs alternate between locally propagating information between nodes in small subgraphs and globally…

机器学习 · 计算机科学 2018-03-19 Renjie Liao , Marc Brockschmidt , Daniel Tarlow , Alexander L. Gaunt , Raquel Urtasun , Richard Zemel

Graph neural network (GNN) is a deep model for graph representation learning. One advantage of graph neural network is its ability to incorporate node features into the learning process. However, this prevents graph neural network from…

机器学习 · 计算机科学 2019-11-21 Chi Thang Duong , Thanh Dat Hoang , Ha The Hien Dang , Quoc Viet Hung Nguyen , Karl Aberer

Geometric deep learning enables the encoding of physical symmetries in modeling 3D objects. Despite rapid progress in encoding 3D symmetries into Graph Neural Networks (GNNs), a comprehensive evaluation of the expressiveness of these…

机器学习 · 计算机科学 2023-04-12 Weitao Du , Yuanqi Du , Limei Wang , Dieqiao Feng , Guifeng Wang , Shuiwang Ji , Carla Gomes , Zhi-Ming Ma

Graph neural networks (GNNs) have shown considerable promise in computational chemistry. However, the limited availability of molecular data raises concerns regarding GNNs' ability to effectively capture the fundamental principles of…

机器学习 · 计算机科学 2025-03-12 Junyi An , Chao Qu , Yun-Fei Shi , XinHao Liu , Qianwei Tang , Fenglei Cao , Yuan Qi

Graph neural networks (GNNs) are a well-regarded tool for learned control of networked dynamical systems due to their ability to be deployed in a distributed manner. However, current distributed GNN architectures assume that all nodes in…

机器学习 · 计算机科学 2026-04-06 Samuel Honor , Mohamed Abdelnaby , Kevin Leahy

Many scientific problems require to process data in the form of geometric graphs. Unlike generic graph data, geometric graphs exhibit symmetries of translations, rotations, and/or reflections. Researchers have leveraged such inductive bias…

机器学习 · 计算机科学 2022-02-23 Jiaqi Han , Yu Rong , Tingyang Xu , Wenbing Huang

Generative models of graph structure have applications in biology and social sciences. The state of the art is GraphRNN, which decomposes the graph generation process into a series of sequential steps. While effective for modest sizes, it…

机器学习 · 计算机科学 2019-10-18 Tony Duan , Juho Lee

We present the Graph Forward-Forward (GFF) algorithm, an extension of the Forward-Forward procedure to graphs, able to handle features distributed over a graph's nodes. This allows training graph neural networks with forward passes only,…

机器学习 · 计算机科学 2023-02-13 Daniele Paliotta , Mathieu Alain , Bálint Máté , François Fleuret

Graph neural networks (GNNs) have recently emerged as a dominant paradigm for machine learning with graphs. Research on GNNs has mainly focused on the family of message passing neural networks (MPNNs). Similar to the Weisfeiler-Leman (WL)…

机器学习 · 统计学 2022-07-05 Giannis Nikolentzos , George Dasoulas , Michalis Vazirgiannis

Incorporating inductive biases into ML models is an active area of ML research, especially when ML models are applied to data about the physical world. Equivariant Graph Neural Networks (GNNs) have recently become a popular method for…

机器学习 · 计算机科学 2023-11-07 Savannah Thais , Daniel Murnane

Existing graph neural networks (GNNs) largely rely on node embeddings, which represent a node as a vector by its identity, type, or content. However, graphs with unattributed nodes widely exist in real-world applications (e.g., anonymized…

机器学习 · 计算机科学 2022-03-01 Zeyu Sun , Wenjie Zhang , Lili Mou , Qihao Zhu , Yingfei Xiong , Lu Zhang

Graph Neural Networks (GNNs) are a powerful tool for machine learning on graphs.GNNs combine node feature information with the graph structure by recursively passing neural messages along edges of the input graph. However, incorporating…

机器学习 · 计算机科学 2019-11-15 Rex Ying , Dylan Bourgeois , Jiaxuan You , Marinka Zitnik , Jure Leskovec

This work studies the design of neural networks that can process the weights or gradients of other neural networks, which we refer to as neural functional networks (NFNs). Despite a wide range of potential applications, including learned…

机器学习 · 计算机科学 2023-09-27 Allan Zhou , Kaien Yang , Kaylee Burns , Adriano Cardace , Yiding Jiang , Samuel Sokota , J. Zico Kolter , Chelsea Finn

We present a new probabilistic modelling framework based on the recent notion of normal factor graph (NFG). We show that the proposed NFG models and their transformations unify some existing models such as factor graphs, convolutional…

信息论 · 计算机科学 2012-09-17 Ali Al-Bashabsheh , Yongyi Mao

Graph Neural Networks (GNNs) have emerged as a flexible and powerful approach for learning over graphs. Despite this success, existing GNNs are constrained by their local message-passing architecture and are provably limited in their…

机器学习 · 计算机科学 2021-10-29 Rajat Talak , Siyi Hu , Lisa Peng , Luca Carlone