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Recurrent neural networks have been widely used to generate millions of de novo molecules in a known chemical space. These deep generative models are typically setup with LSTM or GRU units and trained with canonical SMILEs. In this study,…

Machine Learning · Computer Science 2019-09-12 Ruud van Deursen , Peter Ertl , Igor V. Tetko , Guillaume Godin

Recently, graph neural networks (GNNs) have been widely used for document classification. However, most existing methods are based on static word co-occurrence graphs without sentence-level information, which poses three challenges:(1) word…

Computation and Language · Computer Science 2022-03-22 Yinhua Piao , Sangseon Lee , Dohoon Lee , Sun Kim

The problem of labeled graph generation is gaining attention in the Deep Learning community. The task is challenging due to the sparse and discrete nature of graph spaces. Several approaches have been proposed in the literature, most of…

Machine Learning · Computer Science 2021-07-20 Marco Podda , Davide Bacciu

Textual graphs (TGs) are graphs whose nodes correspond to text (sentences or documents), which are widely prevalent. The representation learning of TGs involves two stages: (i) unsupervised feature extraction and (ii) supervised graph…

Computation and Language · Computer Science 2023-08-08 Keyu Duan , Qian Liu , Tat-Seng Chua , Shuicheng Yan , Wei Tsang Ooi , Qizhe Xie , Junxian He

Recent advancements in graph representation learning have shifted attention towards dynamic graphs, which exhibit evolving topologies and features over time. The increased use of such graphs creates a paramount need for generative models…

Machine Learning · Computer Science 2024-12-23 Ryien Hosseini , Filippo Simini , Venkatram Vishwanath , Henry Hoffmann

Graph Neural Networks (GNNs) are important across different domains, such as social network analysis and recommendation systems, due to their ability to model complex relational data. This paper introduces subgraph queries as a new task for…

Machine Learning · Computer Science 2024-08-09 Erfaneh Mahmoudzadeh , Parmis Naddaf , Kiarash Zahirnia , Oliver Schulte

Graph generation is a crucial task in many fields, including network science and bioinformatics, as it enables the creation of synthetic graphs that mimic the properties of real-world networks for various applications. Graph Generative…

Machine Learning · Computer Science 2026-01-21 Salvatore Romano , Marco Grassia , Giuseppe Mangioni

Graphs are fundamental data structures which concisely capture the relational structure in many important real-world domains, such as knowledge graphs, physical and social interactions, language, and chemistry. Here we introduce a powerful…

Machine Learning · Computer Science 2018-03-12 Yujia Li , Oriol Vinyals , Chris Dyer , Razvan Pascanu , Peter Battaglia

Text classification plays an important role in various downstream text-related tasks, such as sentiment analysis, fake news detection, and public opinion analysis. Recently, text classification based on Graph Neural Networks (GNNs) has made…

Computation and Language · Computer Science 2025-12-24 Zuo Wang , Ye Yuan

Graph Neural Networks (GNNs) have emerged as effective tools for learning tasks on graph-structured data. Recently, Graph-Informed (GI) layers were introduced to address regression tasks on graph nodes, extending their applicability beyond…

Machine Learning · Computer Science 2024-03-21 Francesco Della Santa

Recently, researches have explored the graph neural network (GNN) techniques on text classification, since GNN does well in handling complex structures and preserving global information. However, previous methods based on GNN are mainly…

Computation and Language · Computer Science 2019-10-09 Lianzhe Huang , Dehong Ma , Sujian Li , Xiaodong Zhang , Houfeng WANG

Graph generation is an important area in network science. Traditional approaches focus on replicating specific properties of real-world graphs, such as small diameters or power-law degree distributions. Recent advancements in deep learning,…

Social and Information Networks · Computer Science 2025-07-04 Rodrigo Tuna , Carlos Soares

We propose a new family of efficient and expressive deep generative models of graphs, called Graph Recurrent Attention Networks (GRANs). Our model generates graphs one block of nodes and associated edges at a time. The block size and…

Learning graph generative models is a challenging task for deep learning and has wide applicability to a range of domains like chemistry, biology and social science. However current deep neural methods suffer from limited scalability: for a…

Machine Learning · Computer Science 2020-06-30 Hanjun Dai , Azade Nazi , Yujia Li , Bo Dai , Dale Schuurmans

Supervised learning techniques have proven their efficacy in many applications with abundant data. However, applying these methods to medical imaging is challenging due to the scarcity of data, given the high acquisition costs and intricate…

Image and Video Processing · Electrical Eng. & Systems 2025-08-25 Kevin Arias , Edwin Vargas , Kumar Vijay Mishra , Antonio Ortega , Henry Arguello

We present GERN, a novel scalable framework for training GNNs in node classification tasks, based on effective resistance, a standard tool in spectral graph theory. Our method progressively refines the GNN weights on a sequence of random…

Machine Learning · Computer Science 2025-02-25 Francesco Bonchi , Claudio Gentile , Francesco Paolo Nerini , André Panisson , Fabio Vitale

The goal of graph representation learning is to embed each vertex in a graph into a low-dimensional vector space. Existing graph representation learning methods can be classified into two categories: generative models that learn the…

Machine Learning · Computer Science 2017-11-23 Hongwei Wang , Jia Wang , Jialin Wang , Miao Zhao , Weinan Zhang , Fuzheng Zhang , Xing Xie , Minyi Guo

Graph generative models have been extensively studied in the data mining literature. While traditional techniques are based on generating structures that adhere to a pre-decided distribution, recent techniques have shifted towards learning…

Machine Learning · Computer Science 2020-04-09 Nikhil Goyal , Harsh Vardhan Jain , Sayan Ranu

Graph-structured data exhibit substantial heterogeneity in where their predictive signals originate: in some domains, node-level semantics dominate, while in others, structural patterns play a central role. This structure-semantics…

Computation and Language · Computer Science 2026-04-03 Safal Thapaliya , Zehong Wang , Jiazheng Li , Ziming Li , Yanfang Ye , Chuxu Zhang

Deep latent generative models have attracted increasing attention due to the capacity of combining the strengths of deep learning and probabilistic models in an elegant way. The data representations learned with the models are often…

Machine Learning · Computer Science 2023-04-04 Zhao Xu , Daniel Onoro Rubio , Giuseppe Serra , Mathias Niepert
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