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Directed graphs naturally model systems with asymmetric, ordered relationships, essential to applications in biology, transportation, social networks, and visual understanding. Generating such graphs enables tasks such as simulation, data…

Machine Learning · Computer Science 2026-02-20 Alba Carballo-Castro , Manuel Madeira , Yiming Qin , Dorina Thanou , Pascal Frossard

Deep generative models have recently achieved significant success in modeling graph data, including dynamic graphs, where topology and features evolve over time. However, unlike in vision and natural language domains, evaluating generative…

Machine Learning · Computer Science 2025-03-04 Ryien Hosseini , Filippo Simini , Venkatram Vishwanath , Rebecca Willett , Henry Hoffmann

The field of hypothesis generation promises to reduce costs in neuroscience by narrowing the range of interventional studies needed to study various phenomena. Existing machine learning methods can generate scientific hypotheses from…

Machine Learning · Computer Science 2025-07-04 Zachary C. Brown , David Carlson

Different layouts can characterize different aspects of the same graph. Finding a "good" layout of a graph is thus an important task for graph visualization. In practice, users often visualize a graph in multiple layouts by using different…

Social and Information Networks · Computer Science 2019-10-16 Oh-Hyun Kwon , Kwan-Liu Ma

Recently, deep generative models have revealed itself as a promising way of performing de novo molecule design. However, previous research has focused mainly on generating SMILES strings instead of molecular graphs. Although current graph…

Quantitative Methods · Quantitative Biology 2018-04-24 Yibo Li , Liangren Zhang , Zhenming Liu

Graph generation has emerged as a crucial task in machine learning, with significant challenges in generating graphs that accurately reflect specific properties. Existing methods often fall short in efficiently addressing this need as they…

In this work, we introduce a new algorithm for analyzing a diagram, which contains visual and textual information in an abstract and integrated way. Whereas diagrams contain richer information compared with individual image-based or…

Computer Vision and Pattern Recognition · Computer Science 2017-11-28 Daesik Kim , Youngjoon Yoo , Jeesoo Kim , Sangkuk Lee , Nojun Kwak

Most Graph Neural Networks (GNNs) predict the labels of unseen graphs by learning the correlation between the input graphs and labels. However, by presenting a graph classification investigation on the training graphs with severe bias,…

Machine Learning · Computer Science 2022-09-29 Shaohua Fan , Xiao Wang , Yanhu Mo , Chuan Shi , Jian Tang

Graph deep learning methods have become popular tools to process collections of correlated time series. Unlike traditional multivariate forecasting methods, graph-based predictors leverage pairwise relationships by conditioning forecasts on…

Machine Learning · Computer Science 2025-06-09 Andrea Cini , Ivan Marisca , Daniele Zambon , Cesare Alippi

Due to the complex and changing interactions in dynamic scenarios, motion forecasting is a challenging problem in autonomous driving. Most existing works exploit static road graphs to characterize scenarios and are limited in modeling…

Artificial Intelligence · Computer Science 2023-03-09 Xing Gao , Xiaogang Jia , Yikang Li , Hongkai Xiong

Recently there has been increasing interest in developing and deploying deep graph learning algorithms for many tasks, such as fraud detection and recommender systems. Albeit, there is a limited number of publicly available graph-structured…

Machine Learning · Computer Science 2023-10-06 Sajad Darabi , Piotr Bigaj , Dawid Majchrowski , Artur Kasymov , Pawel Morkisz , Alex Fit-Florea

Tiered graph autoencoders provide the architecture and mechanisms for learning tiered latent representations and latent spaces for molecular graphs that explicitly represent and utilize groups (e.g., functional groups). This enables the…

Machine Learning · Computer Science 2021-07-02 Daniel T. Chang

Neural networks that compute over graph structures are a natural fit for problems in a variety of domains, including natural language (parse trees) and cheminformatics (molecular graphs). However, since the computation graph has a different…

Neural and Evolutionary Computing · Computer Science 2017-02-23 Moshe Looks , Marcello Herreshoff , DeLesley Hutchins , Peter Norvig

Diffusion models achieve state-of-the-art performance in generating realistic objects and have been successfully applied to images, text, and videos. Recent work has shown that diffusion can also be defined on graphs, including graph…

Machine Learning · Computer Science 2023-02-09 Alex M. Tseng , Nathaniel Diamant , Tommaso Biancalani , Gabriele Scalia

Graph data structures are fundamental for studying connected entities. With an increase in the number of applications where data is represented as graphs, the problem of graph generation has recently become a hot topic. However, despite its…

Despite decades of research, understanding human manipulation activities is, and has always been, one of the most attractive and challenging research topics in computer vision and robotics. Recognition and prediction of observed human…

Computer Vision and Pattern Recognition · Computer Science 2021-10-27 Gamze Akyol , Sanem Sariel , Eren Erdal Aksoy

Signed graphs are complex systems that represent trust relationships or preferences in various domains. Learning node representations in such graphs is crucial for many mining tasks. Although real-world signed relationships can be…

Machine Learning · Computer Science 2023-07-07 Geonwoo Ko , Jinhong Jung

Recently, methods that represent data as a graph, such as graph neural networks (GNNs) have been successfully used to learn data representations and structures to solve classification and link prediction problems. The applications of such…

Machine Learning · Computer Science 2022-10-04 Usman Mahmood , Zening Fu , Vince Calhoun , Sergey Plis

Much scientific enquiry across disciplines is founded upon a mechanistic treatment of dynamic systems that ties form to function. A highly visible instance of this is in molecular biology, where an important goal is to determine…

Biomolecules · Quantitative Biology 2021-06-17 Xiaojie Guo , Yuanqi Du , Sivani Tadepalli , Liang Zhao , Amarda Shehu

In this paper, we propose Continuous Graph Flow, a generative continuous flow based method that aims to model complex distributions of graph-structured data. Once learned, the model can be applied to an arbitrary graph, defining a…

Machine Learning · Computer Science 2019-10-01 Zhiwei Deng , Megha Nawhal , Lili Meng , Greg Mori