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There has been a recent surge in transformer-based architectures for learning on graphs, mainly motivated by attention as an effective learning mechanism and the desire to supersede handcrafted operators characteristic of message passing…

机器学习 · 计算机科学 2025-06-10 David Buterez , Jon Paul Janet , Dino Oglic , Pietro Lio

Distinguishing the automorphic equivalence of nodes in a graph plays an essential role in many scientific domains, e.g., computational biologist and social network analysis. However, existing graph neural networks (GNNs) fail to capture…

机器学习 · 计算机科学 2021-11-10 Fengli Xu , Quanming Yao , Pan Hui , Yong Li

Graph machine learning has been widely explored in various domains, such as community detection, transaction analysis, and recommendation systems. In these applications, anomaly detection plays an important role. Recently, studies have…

机器学习 · 计算机科学 2025-11-21 Wei Herng Choong , Jixing Liu , Ching-Yu Kao , Philip Sperl

Deep generative models have been praised for their ability to learn smooth latent representation of images, text, and audio, which can then be used to generate new, plausible data. However, current generative models are unable to work with…

Deep learning on graphs has become a popular research topic with many applications. However, past work has concentrated on learning graph embedding tasks, which is in contrast with advances in generative models for images and text. Is it…

机器学习 · 计算机科学 2018-02-13 Martin Simonovsky , Nikos Komodakis

Recently, there has been great success in applying deep neural networks on graph structured data. Most work, however, focuses on either node- or graph-level supervised learning, such as node, link or graph classification or node-level…

机器学习 · 计算机科学 2021-12-15 Robin Winter , Frank Noé , Djork-Arné Clevert

Recent advancements in large-scale pre-training have shown the potential to learn generalizable representations for downstream tasks. In the graph domain, however, capturing and transferring structural information across different graph…

机器学习 · 计算机科学 2026-02-24 Jialin Chen , Haolan Zuo , Haoyu Peter Wang , Siqi Miao , Pan Li , Rex Ying

Graph Transformers, which incorporate self-attention and positional encoding, have recently emerged as a powerful architecture for various graph learning tasks. Despite their impressive performance, the complex non-convex interactions…

机器学习 · 计算机科学 2024-06-05 Hongkang Li , Meng Wang , Tengfei Ma , Sijia Liu , Zaixi Zhang , Pin-Yu Chen

Unsupervised pre-training on vast amounts of graph data is critical in real-world applications wherein labeled data is limited, such as molecule properties prediction or materials science. Existing approaches pre-train models for specific…

机器学习 · 计算机科学 2024-10-01 Viet Anh Nguyen , Nhat Khang Ngo , Truong Son Hy

Recent advances in Graph Convolutional Neural Networks (GCNNs) have shown their efficiency for non-Euclidean data on graphs, which often require a large amount of labeled data with high cost. It it thus critical to learn graph feature…

计算机视觉与模式识别 · 计算机科学 2020-03-20 Xiang Gao , Wei Hu , Guo-Jun Qi

Autonomous robot exploration (ARE) is the process of a robot autonomously navigating and mapping an unknown environment. Recent Reinforcement Learning (RL)-based approaches typically formulate ARE as a sequential decision-making problem…

机器人学 · 计算机科学 2025-09-17 Haozhan Ni , Jingsong Liang , Chenyu He , Yuhong Cao , Guillaume Sartoretti

A graph is a powerful concept for representation of relations between pairs of entities. Data with underlying graph structure can be found across many disciplines and there is a natural desire for understanding such data better. Deep…

机器学习 · 计算机科学 2019-01-25 Martin Simonovsky

Unsupervised node representation learning aims to obtain meaningful node embeddings without relying on node labels. To achieve this, graph convolution, which aggregates information from neighboring nodes, is commonly employed to encode node…

机器学习 · 计算机科学 2025-12-18 Sunwoo Kim , Soo Yong Lee , Kyungho Kim , Hyunjin Hwang , Jaemin Yoo , Kijung Shin

In this paper, we present a general framework to scale graph autoencoders (AE) and graph variational autoencoders (VAE). This framework leverages graph degeneracy concepts to train models only from a dense subset of nodes instead of using…

机器学习 · 计算机科学 2022-06-22 Guillaume Salha , Romain Hennequin , Viet Anh Tran , Michalis Vazirgiannis

Recently, there has been a surge of interest in employing neural networks for graph generation, a fundamental statistical learning problem with critical applications like molecule design and community analysis. However, most approaches…

机器学习 · 计算机科学 2024-07-31 Yunhui Jang , Seul Lee , Sungsoo Ahn

Learning-based methods have become increasingly popular for solving vehicle routing problems due to their near-optimal performance and fast inference speed. Among them, the combination of deep reinforcement learning and graph representation…

机器学习 · 计算机科学 2024-05-22 Zhenwei Wang , Ruibin Bai , Fazlullah Khan , Ender Ozcan , Tiehua Zhang

Graph Transformers (GTs) have demonstrated great effectiveness across various graph analytical tasks. However, the existing GTs focus on training and testing graph data originated from the same distribution, but fail to generalize under…

机器学习 · 计算机科学 2026-03-16 Tianyin Liao , Ziwei Zhang , Yufei Sun , Chunyu Hu , Jianxin Li

Graphs are ubiquitous data structures for representing interactions between entities. With an emphasis on the use of graphs to represent chemical molecules, we explore the task of learning to generate graphs that conform to a distribution…

机器学习 · 计算机科学 2019-03-08 Qi Liu , Miltiadis Allamanis , Marc Brockschmidt , Alexander L. Gaunt

Graphs are ubiquitous in real-world scenarios and encompass a diverse range of tasks, from node-, edge-, and graph-level tasks to transfer learning. However, designing specific tasks for each type of graph data is often costly and lacks…

机器学习 · 计算机科学 2024-03-22 Yulan Hu , Sheng Ouyang , Zhirui Yang , Ge Chen , Junchen Wan , Xiao Wang , Yong Liu

We present Graformer, a novel Transformer-based encoder-decoder architecture for graph-to-text generation. With our novel graph self-attention, the encoding of a node relies on all nodes in the input graph - not only direct neighbors -…

计算与语言 · 计算机科学 2021-04-28 Martin Schmitt , Leonardo F. R. Ribeiro , Philipp Dufter , Iryna Gurevych , Hinrich Schütze