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Deep generative models (DGMs) have recently demonstrated remarkable success in capturing complex probability distributions over graphs. Although their excellent performance is attributed to powerful and scalable deep neural networks, it is,…

Machine Learning · Computer Science 2025-03-18 Milan Papež , Martin Rektoris , Václav Šmídl , Tomáš Pevný

In this paper, we propose an end-to-end graph learning framework, namely Deep Iterative and Adaptive Learning for Graph Neural Networks (DIAL-GNN), for jointly learning the graph structure and graph embeddings simultaneously. We first cast…

Machine Learning · Computer Science 2019-12-18 Yu Chen , Lingfei Wu , Mohammed J. Zaki

The history-dependent behaviors of classical plasticity models are often driven by internal variables evolved according to phenomenological laws. The difficulty to interpret how these internal variables represent a history of deformation,…

Machine Learning · Computer Science 2023-01-04 Nikolaos N. Vlassis , WaiChing Sun

We propose a new method for embedding graphs while preserving directed edge information. Learning such continuous-space vector representations (or embeddings) of nodes in a graph is an important first step for using network information…

Machine Learning · Computer Science 2017-09-15 Sami Abu-El-Haija , Bryan Perozzi , Rami Al-Rfou

Graph neural networks (GNNs) demonstrate a robust capability for representation learning on graphs with complex structures, showcasing superior performance in various applications. The majority of existing GNNs employ a graph convolution…

Machine Learning · Computer Science 2025-02-19 Jinlu Wang , Jipeng Guo , Yanfeng Sun , Junbin Gao , Shaofan Wang , Yachao Yang , Baocai Yin

Graphs are ubiquitous in social networks and biochemistry, where Graph Neural Networks (GNN) are the state-of-the-art models for prediction. Graphs can be evolving and it is vital to formally model and understand how a trained GNN responds…

Machine Learning · Computer Science 2024-03-12 Yazheng Liu , Xi Zhang , Sihong Xie

Theoretical results from discrete geometry suggest that normed spaces can abstractly embed finite metric spaces with surprisingly low theoretical bounds on distortion in low dimensions. In this paper, inspired by this theoretical insight,…

Machine Learning · Computer Science 2023-12-05 Diaaeldin Taha , Wei Zhao , J. Maxwell Riestenberg , Michael Strube

Machine learning on graphs is an important and ubiquitous task with applications ranging from drug design to friendship recommendation in social networks. The primary challenge in this domain is finding a way to represent, or encode, graph…

Social and Information Networks · Computer Science 2018-04-11 William L. Hamilton , Rex Ying , Jure Leskovec

Unsupervised graph representation learning aims to learn low-dimensional node embeddings without supervision while preserving graph topological structures and node attributive features. Previous graph neural networks (GNN) require a large…

Machine Learning · Computer Science 2020-09-04 Yanqiao Zhu , Yichen Xu , Feng Yu , Shu Wu , Liang Wang

Graph-based causal discovery methods aim to capture conditional independencies consistent with the observed data and differentiate causal relationships from indirect or induced ones. Successful construction of graphical models of data…

Machine Learning · Statistics 2021-01-08 Boris Hayete , Fred Gruber , Anna Decker , Raymond Yan

Deep neural networks have been demonstrated to achieve phenomenal success in many domains, and yet their inner mechanisms are not well understood. In this paper, we investigate the curvature of image manifolds, i.e., the manifold deviation…

Machine Learning · Computer Science 2023-11-17 Ilya Kaufman , Omri Azencot

Graph embedding (GE) methods embed nodes (and/or edges) in graph into a low-dimensional semantic space, and have shown its effectiveness in modeling multi-relational data. However, existing GE models are not practical in real-world…

Machine Learning · Computer Science 2020-11-25 Xiaoyu Kou , Yankai Lin , Shaobo Liu , Peng Li , Jie Zhou , Yan Zhang

This paper introduces the Neural Differential Manifold (NDM), a novel neural network architecture that explicitly incorporates geometric structure into its fundamental design. Departing from conventional Euclidean parameter spaces, the NDM…

Machine Learning · Computer Science 2025-10-30 Di Zhang

Differential graphical models are designed to represent the difference between the conditional dependence structures of two groups, thus are of particular interest for scientific investigation. Motivated by modern applications, this…

Statistics Theory · Mathematics 2021-02-03 Sen Na , Mladen Kolar , Oluwasanmi Koyejo

Architected materials possessing physico-chemical properties adaptable to disparate environmental conditions embody a disruptive new domain of materials science. Fueled by advances in digital design and fabrication, materials shaped into…

Materials Science · Physics 2023-09-25 Dominik Dold , Derek Aranguren van Egmond

Graphs provide a powerful means for representing complex interactions between entities. Recently, deep learning approaches are emerging for representing and modeling graph-structured data, although the conventional deep learning methods…

Neural and Evolutionary Computing · Computer Science 2016-12-06 Jaekoo Lee , Hyunjae Kim , Jongsun Lee , Sungroh Yoon

Graph structured data are abundant in the real world. Among different graph types, directed acyclic graphs (DAGs) are of particular interest to machine learning researchers, as many machine learning models are realized as computations on…

Machine Learning · Computer Science 2019-10-30 Muhan Zhang , Shali Jiang , Zhicheng Cui , Roman Garnett , Yixin Chen

Structure aware graph generation aims to generate graphs that satisfy given topological properties. It has applications in domains such as drug discovery, social network modeling, and knowledge graph construction. Unlike existing methods…

Artificial Intelligence · Computer Science 2026-05-05 Nidhi Vakil , Hadi Amiri

Computing latent representations for graph-structured data is an ubiquitous learning task in many industrial and academic applications ranging from molecule synthetization to social network analysis and recommender systems. Knowledge graphs…

Neural and Evolutionary Computing · Computer Science 2023-08-25 Victor Caceres Chian , Marcel Hildebrandt , Thomas Runkler , Dominik Dold

We propose a new representation for encoding 3D shapes as neural fields. The representation is designed to be compatible with the transformer architecture and to benefit both shape reconstruction and shape generation. Existing works on…

Computer Vision and Pattern Recognition · Computer Science 2022-10-19 Biao Zhang , Matthias Nießner , Peter Wonka