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Deep generative models have achieved great success in areas such as image, speech, and natural language processing in the past few years. Thanks to the advances in graph-based deep learning, and in particular graph representation learning,…

Machine Learning · Computer Science 2021-01-01 Faezeh Faez , Yassaman Ommi , Mahdieh Soleymani Baghshah , Hamid R. Rabiee

Graphs are a powerful tool for representing and analyzing unstructured, non-Euclidean data ubiquitous in the healthcare domain. Two prominent examples are molecule property prediction and brain connectome analysis. Importantly, recent works…

Machine Learning · Computer Science 2022-04-04 Kamilia Mullakaeva , Luca Cosmo , Anees Kazi , Seyed-Ahmad Ahmadi , Nassir Navab , Michael M. Bronstein

Graph generation plays a pivotal role across numerous domains, including molecular design and knowledge graph construction. Although existing methods achieve considerable success in generating realistic graphs, their interpretability…

Machine Learning · Computer Science 2025-07-18 Yuanxin Zhuang , Dazhong Shen , Ying Sun

One of the most difficult aspects of modeling complex dilemmas in decision-analytic terms is composing a diagram of relevance relations from a set of domain concepts. Decision models in domains such as medicine, however, exhibit certain…

Artificial Intelligence · Computer Science 2013-03-08 John W. Egar , Mark A. Musen

Current applications have produced graphs on the order of hundreds of thousands of nodes and millions of edges. To take advantage of such graphs, one must be able to find patterns, outliers and communities. These tasks are better performed…

Social and Information Networks · Computer Science 2015-05-29 Jose F. Rodrigues , Hanghang Tong , Jia-Yu Pan , Agma J. M. Traina , Caetano Traina , Christos Faloutsos

Graph generation poses a significant challenge as it involves predicting a complete graph with multiple nodes and edges based on simply a given label. This task also carries fundamental importance to numerous real-world applications,…

Machine Learning · Computer Science 2024-02-21 Xiandong Zou , Xiangyu Zhao , Pietro Liò , Yiren Zhao

Knowledge graphs can represent information about the real-world using entities and their relations in a structured and semantically rich manner and they enable a variety of downstream applications such as question-answering, recommendation…

Computation and Language · Computer Science 2023-05-16 Hanieh Khorashadizadeh , Nandana Mihindukulasooriya , Sanju Tiwari , Jinghua Groppe , Sven Groppe

Drug Discovery is a fundamental and ever-evolving field of research. The design of new candidate molecules requires large amounts of time and money, and computational methods are being increasingly employed to cut these costs. Machine…

Machine Learning · Statistics 2021-05-28 Pietro Bongini , Monica Bianchini , Franco Scarselli

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

Graphs are a useful abstraction of image content. Not only can graphs represent details about individual objects in a scene but they can capture the interactions between pairs of objects. We present a method for training a convolutional…

Computer Vision and Pattern Recognition · Computer Science 2018-03-28 Alejandro Newell , Jia Deng

Machine learning, particularly graph learning, is gaining increasing recognition for its transformative impact across various fields. One such promising application is in the realm of molecule design and discovery, notably within the…

Machine Learning · Computer Science 2024-01-10 Nianzu Yang , Huaijin Wu , Kaipeng Zeng , Yang Li , Junchi Yan

Graph generative models become increasingly effective for data distribution approximation and data augmentation. While they have aroused public concerns about their malicious misuses or misinformation broadcasts, just as what Deepfake…

Cryptography and Security · Computer Science 2023-06-14 Yihan Ma , Zhikun Zhang , Ning Yu , Xinlei He , Michael Backes , Yun Shen , Yang Zhang

A graphon is a limiting object used to describe the behaviour of large networks through a function that captures the probability of edge formation between nodes. Although the merits of graphons to describe large and unlabelled networks are…

Methodology · Statistics 2024-08-23 Charles Dufour , Sofia C. Olhede

Graph neural networks (GNNs) are often trained on individual datasets, requiring specialized models and significant hyperparameter tuning due to the unique structures and features of each dataset. This approach limits the scalability and…

Machine Learning · Computer Science 2026-02-17 Divyansha Lachi , Mehdi Azabou , Vinam Arora , Eva Dyer

Networks provide a meaningful way to represent and analyze complex biological information, but the methodological details of network-based tools are often described for a technical audience. Graphery is a hands-on tutorial webserver…

Molecular Networks · Quantitative Biology 2024-02-19 Heyuan Zeng , Jinbiao Zhang , Gabriel A. Preising , Tobias Rubel , Pramesh Singh , Anna Ritz

Biomedical networks (or graphs) are universal descriptors for systems of interacting elements, from molecular interactions and disease co-morbidity to healthcare systems and scientific knowledge. Advances in artificial intelligence,…

Machine Learning · Computer Science 2025-02-07 Michelle M. Li , Kexin Huang , Marinka Zitnik

Representing and exploiting multivariate signals requires capturing relations between variables, which we can represent by graphs. Graph dictionaries allow to describe complex relational information as a sparse sum of simpler structures,…

Machine Learning · Computer Science 2026-01-09 William Cappelletti , Pascal Frossard

Knowledge Graph Embedding (KGE) models are used to learn continuous representations of entities and relations. A key task in the literature is predicting missing links between entities. However, Knowledge Graphs are not just sets of links…

Artificial Intelligence · Computer Science 2023-08-28 Thiviyan Thanapalasingam , Emile van Krieken , Peter Bloem , Paul Groth

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

Graphs neural networks (GNNs) learn node features by aggregating and combining neighbor information, which have achieved promising performance on many graph tasks. However, GNNs are mostly treated as black-boxes and lack human intelligible…

Machine Learning · Computer Science 2020-06-05 Hao Yuan , Jiliang Tang , Xia Hu , Shuiwang Ji