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We consider the problem of molecular graph generation using deep models. While graphs are discrete, most existing methods use continuous latent variables, resulting in inaccurate modeling of discrete graph structures. In this work, we…

Machine Learning · Computer Science 2021-06-03 Youzhi Luo , Keqiang Yan , Shuiwang Ji

How do real graphs evolve over time? What are ``normal'' growth patterns in social, technological, and information networks? Many studies have discovered patterns in static graphs, identifying properties in a single snapshot of a large…

Physics and Society · Physics 2007-05-23 Jure Leskovec , Jon Kleinberg , Christos Faloutsos

Edge-centric distributed computations have appeared as a recent technique to improve the shortcomings of think-like-a-vertex algorithms on large scale-free networks. In order to increase parallelism on this model, edge partitioning -…

Data Structures and Algorithms · Computer Science 2018-10-12 Sebastian Schlag , Christian Schulz , Daniel Seemaier , Darren Strash

Generating graph-structured data requires learning the underlying distribution of graphs. Yet, this is a challenging problem, and the previous graph generative methods either fail to capture the permutation-invariance property of graphs or…

Machine Learning · Computer Science 2022-06-16 Jaehyeong Jo , Seul Lee , Sung Ju Hwang

Interconnected complex systems usually undergo disruptions due to internal uncertainties and external negative impacts such as those caused by harsh operating environments or regional natural disaster events. To maintain the operation of…

Machine Learning · Computer Science 2022-07-05 Jiaxin Wu , Pingfeng Wang

In this paper, we propose the first framework that enables solving graph learning tasks of all levels (node, edge and graph) and all types (generation, regression and classification) using one formulation. We first formulate prediction…

Machine Learning · Computer Science 2024-11-01 Cai Zhou , Xiyuan Wang , Muhan Zhang

Local graph partitioning is a key graph mining tool that allows researchers to identify small groups of interrelated nodes (e.g. people) and their connective edges (e.g. interactions). Because local graph partitioning is primarily focused…

Social and Information Networks · Computer Science 2018-03-15 Scott Freitas , Hanghang Tong , Nan Cao , Yinglong Xia

Graph neural networks (GNNs) have demonstrated excellent performance in a wide range of applications. However, the enormous size of large-scale graphs hinders their applications under real-time inference scenarios. Although existing…

Machine Learning · Computer Science 2022-12-29 Xinyi Gao , Wentao Zhang , Yingxia Shao , Quoc Viet Hung Nguyen , Bin Cui , Hongzhi Yin

Generating graph structures is a challenging problem due to the diverse representations and complex dependencies among nodes. In this paper, we introduce Graph Variational Recurrent Neural Network (GraphVRNN), a probabilistic autoregressive…

Machine Learning · Computer Science 2019-10-07 Shih-Yang Su , Hossein Hajimirsadeghi , Greg Mori

Transformers have become widely used in various tasks, such as natural language processing and machine vision. This paper proposes Gransformer, an algorithm based on Transformer for generating graphs. We modify the Transformer encoder to…

Machine Learning · Computer Science 2024-06-03 Ahmad Khajenezhad , Seyed Ali Osia , Mahmood Karimian , Hamid Beigy

Applications based on image retrieval require editing and associating in intermediate spaces that are representative of the high-level concepts like objects and their relationships rather than dense, pixel-level representations like RGB…

Computer Vision and Pattern Recognition · Computer Science 2022-07-11 Rishi Agarwal , Tirupati Saketh Chandra , Vaidehi Patil , Aniruddha Mahapatra , Kuldeep Kulkarni , Vishwa Vinay

Transformers have recently emerged as powerful neural networks for graph learning, showcasing state-of-the-art performance on several graph property prediction tasks. However, these results have been limited to small-scale graphs, where the…

Machine Learning · Computer Science 2023-12-19 Vijay Prakash Dwivedi , Yozen Liu , Anh Tuan Luu , Xavier Bresson , Neil Shah , Tong Zhao

Finding frequently occurring subgraph patterns or network motifs in neural architectures is crucial for optimizing efficiency, accelerating design, and uncovering structural insights. However, as the subgraph size increases,…

Machine Learning · Computer Science 2026-02-04 Yikang Yang , Zhengxin Yang , Minghao Luo , Luzhou Peng , Hongxiao Li , Wanling Gao , Lei Wang , Jianfeng Zhan

Learning embeddings from large-scale networks is an open challenge. Despite the overwhelming number of existing methods, is is unclear how to exploit network structure in a way that generalizes easily to unseen nodes, edges or graphs. In…

Machine Learning · Computer Science 2020-09-29 Nurudin Alvarez-Gonzalez , Andreas Kaltenbrunner , Vicenç Gómez

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…

Machine Learning · Computer Science 2020-03-03 Chenhao Niu , Yang Song , Jiaming Song , Shengjia Zhao , Aditya Grover , Stefano Ermon

Graph Neural Networks (GNNs) have emerged as powerful tools for supervised machine learning over graph-structured data, while sampling-based node representation learning is widely utilized in unsupervised learning. However, scalability…

Machine Learning · Computer Science 2024-07-23 Vipul Gupta , Xin Chen , Ruoyun Huang , Fanlong Meng , Jianjun Chen , Yujun Yan

Training graph neural networks on large datasets has long been a challenge. Traditional approaches include efficiently representing the whole graph in-memory, designing parameter efficient and sampling-based models, and graph partitioning…

Machine Learning · Computer Science 2024-11-19 Dmytro Lopushanskyy , Borun Shi

We introduce the Iterated Global model as a deterministic graph process that simulates several properties of complex networks. In this model, for every set $S$ of nodes of a prescribed cardinality, we add a new node that is adjacent to…

Discrete Mathematics · Computer Science 2020-02-21 Anthony Bonato , Erin Meger

Deep generative models for graphs have exhibited promising performance in ever-increasing domains such as design of molecules (i.e, graph of atoms) and structure prediction of proteins (i.e., graph of amino acids). Existing work typically…

Machine Learning · Computer Science 2021-01-21 Wenbin Zhang , Liming Zhang , Dieter Pfoser , Liang Zhao

We propose a recipe on how to build a general, powerful, scalable (GPS) graph Transformer with linear complexity and state-of-the-art results on a diverse set of benchmarks. Graph Transformers (GTs) have gained popularity in the field of…

Machine Learning · Computer Science 2023-01-18 Ladislav Rampášek , Mikhail Galkin , Vijay Prakash Dwivedi , Anh Tuan Luu , Guy Wolf , Dominique Beaini