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Graph Neural Networks (GNNs) have achieved state-of-the-art performance in solving graph classification tasks. However, most GNN architectures aggregate information from all nodes and edges in a graph, regardless of their relevance to the…

Machine Learning · Statistics 2024-04-19 Pablo Sanchez-Martin , Kinaan Aamir Khan , Isabel Valera

Effectively modeling multimodal spatial omics data is critical for understanding tissue complexity and underlying biological mechanisms. While spatial transcriptomics, proteomics, and epigenomics capture molecular features, they lack…

Computer Vision and Pattern Recognition · Computer Science 2025-11-18 Yongjun Xiao , Dian Meng , Xinlei Huang , Yanran Liu , Shiwei Ruan , Ziyue Qiao , Xubin Zheng

Embedding graphs in continous spaces is a key factor in designing and developing algorithms for automatic information extraction to be applied in diverse tasks (e.g., learning, inferring, predicting). The reliability of graph embeddings…

Machine Learning · Computer Science 2023-11-30 Andrea Marinoni , Pietro Lio' , Alessandro Barp , Christian Jutten , Mark Girolami

Recently, transformer architectures for graphs emerged as an alternative to established techniques for machine learning with graphs, such as (message-passing) graph neural networks. So far, they have shown promising empirical results, e.g.,…

Machine Learning · Computer Science 2024-04-01 Luis Müller , Mikhail Galkin , Christopher Morris , Ladislav Rampášek

Geometric graphs are a special kind of graph with geometric features, which are vital to model many scientific problems. Unlike generic graphs, geometric graphs often exhibit physical symmetries of translations, rotations, and reflections,…

Graph pre-training has been concentrated on graph-level tasks involving small graphs (e.g., molecular graphs) or learning node representations on a fixed graph. Extending graph pre-trained models to web-scale graphs with billions of nodes…

Machine Learning · Computer Science 2025-11-07 Yufei He , Zhenyu Hou , Yukuo Cen , Jun Hu , Feng He , Xu Cheng , Jie Tang , Bryan Hooi

We propose a generalization of transformer neural network architecture for arbitrary graphs. The original transformer was designed for Natural Language Processing (NLP), which operates on fully connected graphs representing all connections…

Machine Learning · Computer Science 2021-01-26 Vijay Prakash Dwivedi , Xavier Bresson

Generative deep learning has become pivotal in molecular design for drug discovery, materials science, and chemical engineering. A widely used paradigm is to pretrain neural networks on string representations of molecules and fine-tune them…

Machine Learning · Computer Science 2025-03-21 Jonathan Pirnay , Jan G. Rittig , Alexander B. Wolf , Martin Grohe , Jakob Burger , Alexander Mitsos , Dominik G. Grimm

Graph neural networks (GNNs) is widely used to learn a powerful representation of graph-structured data. Recent work demonstrates that transferring knowledge from self-supervised tasks to downstream tasks could further improve graph…

Machine Learning · Computer Science 2021-07-21 Xueting Han , Zhenhuan Huang , Bang An , Jing Bai

Mesh models are a promising approach for encoding the structure of 3D objects. Current mesh reconstruction systems predict uniformly distributed vertex locations of a predetermined graph through a series of graph convolutions, leading to…

Computer Vision and Pattern Recognition · Computer Science 2019-02-01 Edward J. Smith , Scott Fujimoto , Adriana Romero , David Meger

The growing ubiquity of relational data structured as graphs has underscored the need for graph learning models with exceptional generalization capabilities. However, current approaches often struggle to effectively extract generalizable…

Machine Learning · Computer Science 2024-08-21 Lianghao Xia , Chao Huang

Recent research has shown that alignment between the structure of graph data and the geometry of an embedding space is crucial for learning high-quality representations of the data. The uniform geometry of Euclidean and hyperbolic spaces…

Machine Learning · Computer Science 2023-06-27 Wei Zhao , Federico Lopez , J. Maxwell Riestenberg , Michael Strube , Diaaeldin Taha , Steve Trettel

Multi-graph learning is crucial for extracting meaningful signals from collections of heterogeneous graphs. However, effectively integrating information across graphs with differing topologies, scales, and semantics, often in the absence of…

Machine Learning · Computer Science 2026-02-02 Zahra Moslemi , Ziyi Liang , Norbert Fortin , Babak Shahbaba

The Transformer architecture has achieved remarkable success in a number of domains including natural language processing and computer vision. However, when it comes to graph-structured data, transformers have not achieved competitive…

Machine Learning · Computer Science 2022-10-11 Zaixi Zhang , Qi Liu , Qingyong Hu , Chee-Kong Lee

Graph convolutional networks (GCNs) have recently achieved great empirical success in learning graph-structured data. To address its scalability issue due to the recursive embedding of neighboring features, graph topology sampling has been…

Machine Learning · Computer Science 2023-12-12 Hongkang Li , Meng Wang , Sijia Liu , Pin-Yu Chen , Jinjun Xiong

Graph-structured data is ubiquitous in the world which models complex relationships between objects, enabling various Web applications. Daily influxes of unlabeled graph data on the Web offer immense potential for these applications. Graph…

Machine Learning · Computer Science 2024-03-12 Yun Zhu , Yaoke Wang , Haizhou Shi , Zhenshuo Zhang , Dian Jiao , Siliang Tang

The challenge of effectively learning inter-series correlations for multivariate time series forecasting remains a substantial and unresolved problem. Traditional deep learning models, which are largely dependent on the Transformer paradigm…

Machine Learning · Computer Science 2024-05-29 Wanlin Cai , Kun Wang , Hao Wu , Xiaoxu Chen , Yuankai Wu

Transition-based and graph-based dependency parsers have previously been shown to have complementary strengths and weaknesses: transition-based parsers exploit rich structural features but suffer from error propagation, while graph-based…

Computation and Language · Computer Science 2019-08-28 Artur Kulmizev , Miryam de Lhoneux , Johannes Gontrum , Elena Fano , Joakim Nivre

The dominant graph-to-sequence transduction models employ graph neural networks for graph representation learning, where the structural information is reflected by the receptive field of neurons. Unlike graph neural networks that restrict…

Computation and Language · Computer Science 2019-12-03 Deng Cai , Wai Lam

The design of Graph Transformers (GTs) generally neglects considerations for fairness, resulting in biased outcomes against certain sensitive subgroups. Since GTs encode graph information without relying on message-passing mechanisms,…

Machine Learning · Computer Science 2024-04-29 Renqiang Luo , Huafei Huang , Shuo Yu , Xiuzhen Zhang , Feng Xia