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Nowadays, the coupling of electronic structure and machine learning techniques serves as a powerful tool to predict chemical and physical properties of a broad range of systems. With the aim of improving the accuracy of predictions, a large…

In most domains of network analysis researchers consider networks that arise in nature with weighted edges. Such networks are routinely dichotomized in the interest of using available methods for statistical inference with networks. The…

统计方法学 · 统计学 2016-11-10 James D. Wilson , Matthew J. Denny , Shankar Bhamidi , Skyler Cranmer , Bruce Desmarais

Within the context of Graph Signal Processing (GSP), Graph Learning (GL) is concerned with the inference of the graph's underlying structure from nodal observations. However, real-world data often contains diverse information, necessitating…

信号处理 · 电气工程与系统科学 2023-11-08 Mohamad H. Alizade , Aref Einizade , Jhony H. Giraldo

The availability of graph data with node attributes that can be either discrete or real-valued is constantly increasing. While existing kernel methods are effective techniques for dealing with graphs having discrete node labels, their…

机器学习 · 计算机科学 2024-10-30 Giovanni Da San Martino , Nicolò Navarin , Alessandro Sperduti

Multivariate time-series forecasting is a critical task for many applications, and graph time-series network is widely studied due to its capability to capture the spatial-temporal correlation simultaneously. However, most existing works…

机器学习 · 计算机科学 2022-10-14 Hongyuan Yu , Ting Li , Weichen Yu , Jianguo Li , Yan Huang , Liang Wang , Alex Liu

The problem of graph learning concerns the construction of an explicit topological structure revealing the relationship between nodes representing data entities, which plays an increasingly important role in the success of many graph-based…

机器学习 · 统计学 2021-10-20 Xingyue Pu , Siu Lun Chau , Xiaowen Dong , Dino Sejdinovic

Structure aware graph generation aims to generate graphs that satisfy given topological properties. It has applications in domains such as drug discovery, social network modeling, and knowledge graph construction. Unlike existing methods…

人工智能 · 计算机科学 2026-05-05 Nidhi Vakil , Hadi Amiri

Graphs are increasingly becoming ubiquitous as models for structured data. A generative model that closely mimics the structural properties of a given set of graphs has utility in a variety of domains. Much of the existing work require that…

社会与信息网络 · 计算机科学 2019-02-25 Revanth Reddy , Sarath Chandar , Balaraman Ravindran

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

A connectional brain template (CBT) is a normalized graph-based representation of a population of brain networks also regarded as an average connectome. CBTs are powerful tools for creating representative maps of brain connectivity in…

计算机视觉与模式识别 · 计算机科学 2020-12-29 Mustafa Burak Gurbuz , Islem Rekik

The success of graph embeddings or node representation learning in a variety of downstream tasks, such as node classification, link prediction, and recommendation systems, has led to their popularity in recent years. Representation learning…

机器学习 · 计算机科学 2018-09-07 Saba A. Al-Sayouri , Danai Koutra , Evangelos E. Papalexakis , Sarah S. Lam

We present a unified framework to study graph kernels, special cases of which include the random walk graph kernel \citep{GaeFlaWro03,BorOngSchVisetal05}, marginalized graph kernel \citep{KasTsuIno03,KasTsuIno04,MahUedAkuPeretal04}, and…

机器学习 · 计算机科学 2010-11-30 S. V. N. Vishwanathan , Karsten M. Borgwardt , Imre Risi Kondor , Nicol N. Schraudolph

Graph representation learning has now become the de facto standard when handling graph-structured data, with the framework of message-passing graph neural networks (MPNN) being the most prevailing algorithmic tool. Despite its popularity,…

How to properly model graphs is a long-existing and important problem in NLP area, where several popular types of graphs are knowledge graphs, semantic graphs and dependency graphs. Comparing with other data structures, such as sequences…

计算与语言 · 计算机科学 2019-07-16 Linfeng Song

Deep graph generative modeling has proven capable of learning the distribution of complex, multi-scale structures characterizing real-world graphs. However, one of the main limitations of existing methods is their large output space, which…

机器学习 · 计算机科学 2023-06-01 Nathaniel Diamant , Alex M. Tseng , Kangway V. Chuang , Tommaso Biancalani , Gabriele Scalia

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

Graph structure learning is a well-established problem that aims at optimizing graph structures adaptive to specific graph datasets to help message passing neural networks (i.e., GNNs) to yield effective and robust node embeddings. However,…

机器学习 · 计算机科学 2023-06-21 Wentao Zhao , Qitian Wu , Chenxiao Yang , Junchi Yan

Embedding entities and relations of a knowledge graph in a low-dimensional space has shown impressive performance in predicting missing links between entities. Although progresses have been achieved, existing methods are heuristically…

计算与语言 · 计算机科学 2021-01-26 Danushka Bollegala , Huda Hakami , Yuichi Yoshida , Ken-ichi Kawarabayashi

The recent introduction of Graph Neural Networks (GNNs) and their growing popularity in the past few years has enabled the application of deep learning algorithms to non-Euclidean, graph-structured data. GNNs have achieved state-of-the-art…

机器学习 · 计算机科学 2020-10-27 Tuomas P. Oikarinen , Daniel C. Hannah , Sohrob Kazerounian

Graph neural networks (GNNs) are the most widely adopted model in graph-structured data oriented learning and representation. Despite their extraordinary success in real-world applications, understanding their working mechanism by theory is…

机器学习 · 计算机科学 2023-05-16 Huayi Tang , Yong Liu