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Motivation: Despite its great success in various physical modeling, differential geometry (DG) has rarely been devised as a versatile tool for analyzing large, diverse and complex molecular and biomolecular datasets due to the limited…

Quantitative Methods · Quantitative Biology 2018-06-12 Duc Duy Nguyen , Guo-Wei Wei

Advancing research in the emerging field of deep graph learning requires new tools to support tensor computation over graphs. In this paper, we present the design principles and implementation of Deep Graph Library (DGL). DGL distills the…

Generative adversarial networks (GANs) have emerged as a powerful unsupervised method to model the statistical patterns of real-world data sets, such as natural images. These networks are trained to map random inputs in their latent space…

Machine Learning · Computer Science 2021-03-19 Binxu Wang , Carlos R. Ponce

The graph structure is a commonly used data storage mode, and it turns out that the low-dimensional embedded representation of nodes in the graph is extremely useful in various typical tasks, such as node classification, link prediction ,…

Social and Information Networks · Computer Science 2020-08-03 Xing Li , Wei Wei , Xiangnan Feng , Xue Liu , Zhiming Zheng

Real-world dynamic graphs are often directed, with source and destination nodes exhibiting asymmetrical behavioral patterns and temporal dynamics. However, existing dynamic graph architectures largely rely on shared parameters for…

Machine Learning · Computer Science 2026-02-27 Tyler Bonnet , Marek Rei

Learning distributions of graphs can be used for automatic drug discovery, molecular design, complex network analysis, and much more. We present an improved framework for learning generative models of graphs based on the idea of deep state…

Machine Learning · Computer Science 2021-12-07 Julian Stier , Michael Granitzer

Probabilistic graphical models are traditionally known for their successes in generative modeling. In this work, we advocate layered graphical models (LGMs) for probabilistic discriminative learning. To this end, we design LGMs in close…

Machine Learning · Computer Science 2019-02-04 Yuesong Shen , Tao Wu , Csaba Domokos , Daniel Cremers

In real-world scenarios, although data entities may possess inherent relationships, the specific graph illustrating their connections might not be directly accessible. Latent graph inference addresses this issue by enabling Graph Neural…

Machine Learning · Computer Science 2023-11-21 Yuan Lu , Haitz Sáez de Ocáriz Borde , Pietro Liò

Separating high-dimensional data like images into independent latent factors, i.e independent component analysis (ICA), remains an open research problem. As we show, existing probabilistic deep generative models (DGMs), which are…

Machine Learning · Computer Science 2021-02-01 Alexander Camuto , Matthew Willetts , Brooks Paige , Chris Holmes , Stephen Roberts

Inferring the graph structure from observed data is a key task in graph machine learning to capture the intrinsic relationship between data entities. While significant advancements have been made in learning the structure of homogeneous…

Machine Learning · Computer Science 2025-03-13 Keyue Jiang , Bohan Tang , Xiaowen Dong , Laura Toni

Many irregular domains such as social networks, financial transactions, neuron connections, and natural language constructs are represented using graph structures. In recent years, a variety of graph neural networks (GNNs) have been…

Machine Learning · Computer Science 2021-05-03 Osman Asif Malik , Shashanka Ubaru , Lior Horesh , Misha E. Kilmer , Haim Avron

Graph convolutional networks (GCNs) are powerful frameworks for learning embeddings of graph-structured data. GCNs are traditionally studied through the lens of Euclidean geometry. Recent works find that non-Euclidean Riemannian manifolds…

Machine Learning · Computer Science 2022-11-10 Bo Xiong , Shichao Zhu , Nico Potyka , Shirui Pan , Chuan Zhou , Steffen Staab

Diffusion models have established themselves as state-of-the-art generative models across various data modalities, including images and videos, due to their ability to accurately approximate complex data distributions. Unlike traditional…

Machine Learning · Computer Science 2025-10-23 Daniel Wesego

Graph Laplacian learning, also known as network topology inference, is a problem of great interest to multiple communities. In Gaussian graphical models (GM), graph learning amounts to endowing covariance selection with the Laplacian…

Machine Learning · Computer Science 2024-02-14 Changhao Shi , Gal Mishne

Real-world graphs have inherently complex and diverse topological patterns, known as topological heterogeneity. Most existing works learn graph representation in a single constant curvature space that is insufficient to match the complex…

Machine Learning · Computer Science 2024-12-17 Zihao Guo , Qingyun Sun , Haonan Yuan , Xingcheng Fu , Min Zhou , Yisen Gao , Jianxin Li

Modeling group actions on latent representations enables controllable transformations of high-dimensional image data. Prior works applying group-theoretic priors or modeling transformations typically operate in the high-dimensional data…

Computer Vision and Pattern Recognition · Computer Science 2025-12-16 Farhana Hossain Swarnali , Miaomiao Zhang , Tonmoy Hossain

Generative adversarial network (GAN) is widely used for generalized and robust learning on graph data. However, for non-Euclidean graph data, the existing GAN-based graph representation methods generate negative samples by random walk or…

Machine Learning · Computer Science 2022-03-04 Jianxin Li , Xingcheng Fu , Qingyun Sun , Cheng Ji , Jiajun Tan , Jia Wu , Hao Peng

Representation learning in dynamic graphs is a challenging problem because the topology of graph and node features vary at different time. This requires the model to be able to effectively capture both graph topology information and…

Machine Learning · Computer Science 2021-11-16 Xintao Xiang , Tiancheng Huang , Donglin Wang

Generative networks have shown remarkable success in learning complex data distributions, particularly in generating high-dimensional data from lower-dimensional inputs. While this capability is well-documented empirically, its theoretical…

Machine Learning · Computer Science 2025-04-02 Kevin Wang , Hongqian Niu , Yixin Wang , Didong Li

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