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Graph Neural Networks (GNNs) have recently become increasingly popular due to their ability to learn complex systems of relations or interactions arising in a broad spectrum of problems ranging from biology and particle physics to social…

机器学习 · 计算机科学 2020-10-12 Emanuele Rossi , Ben Chamberlain , Fabrizio Frasca , Davide Eynard , Federico Monti , Michael Bronstein

Graph Neural Networks (GNNs) have achieved notable success in the analysis of non-Euclidean data across a wide range of domains. However, their applicability is constrained by the dependence on the observed graph structure. To solve this…

机器学习 · 计算机科学 2024-09-19 Ziyan Wang , Yaxuan He , Bin Liu

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

机器学习 · 计算机科学 2021-10-07 Jie Zhou , Ganqu Cui , Shengding Hu , Zhengyan Zhang , Cheng Yang , Zhiyuan Liu , Lifeng Wang , Changcheng Li , Maosong Sun

Probabilistic dependency graphs (PDGs) are a flexible class of probabilistic graphical models, subsuming Bayesian Networks and Factor Graphs. They can also capture inconsistent beliefs, and provide a way of measuring the degree of this…

数据结构与算法 · 计算机科学 2023-11-10 Oliver E. Richardson , Joseph Y. Halpern , Christopher De Sa

Variational autoencoders (VAEs) and generative adversarial networks (GANs) enjoy an intuitive connection to manifold learning: in training the decoder/generator is optimized to approximate a homeomorphism between the data distribution and…

机器学习 · 计算机科学 2020-08-28 Henry Li , Ofir Lindenbaum , Xiuyuan Cheng , Alexander Cloninger

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…

机器学习 · 计算机科学 2021-05-03 Osman Asif Malik , Shashanka Ubaru , Lior Horesh , Misha E. Kilmer , Haim Avron

Modeling complex spatiotemporal dependencies in correlated traffic series is essential for traffic prediction. While recent works have shown improved prediction performance by using neural networks to extract spatiotemporal correlations,…

机器学习 · 计算机科学 2023-09-08 Junpeng Lin , Ziyue Li , Zhishuai Li , Lei Bai , Rui Zhao , Chen Zhang

Graphs are a fundamental abstraction for modeling relational data. However, graphs are discrete and combinatorial in nature, and learning representations suitable for machine learning tasks poses statistical and computational challenges. In…

机器学习 · 统计学 2019-05-16 Aditya Grover , Aaron Zweig , Stefano Ermon

Exploiting the wealth of imaging and non-imaging information for disease prediction tasks requires models capable of representing, at the same time, individual features as well as data associations between subjects from potentially large…

Graph embedding learning that aims to automatically learn low-dimensional node representations, has drawn increasing attention in recent years. To date, most recent graph embedding methods are evaluated on social and information networks…

In the real world, networks often contain multiple relationships among nodes, manifested as the heterogeneity of the edges in the networks. We convert the heterogeneous networks into multiple views by using each view to describe a specific…

社会与信息网络 · 计算机科学 2021-03-15 Lu Wang , Yu Song , Hong Huang , Fanghua Ye , Xuanhua Shi , Hai Jin

Network alignment is the task of establishing one-to-one correspondences between the nodes of different graphs. Although finding a plethora of applications in high-impact domains, this task is known to be NP-hard in its general form.…

机器学习 · 计算机科学 2024-11-20 Jiashu He , Charilaos I. Kanatsoulis , Alejandro Ribeiro

Discovering genes with similar functions across diverse biomedical contexts poses a significant challenge in gene representation learning due to data heterogeneity. In this study, we resolve this problem by introducing a novel model called…

机器学习 · 计算机科学 2023-10-05 Tianyu Liu , Yuge Wang , Rex Ying , Hongyu Zhao

Deep neural network has shown remarkable performance in solving computer vision and some graph evolved tasks, such as node classification and link prediction. However, the vulnerability of deep model has also been revealed by carefully…

物理与社会 · 物理学 2018-10-10 Jinyin Chen , Ziqiang Shi , Yangyang Wu , Xuanheng Xu , Haibin Zheng

We present an end-to-end, interpretable, deep-learning architecture to learn a graph kernel that predicts the outcome of chronic disease drug prescription. This is achieved through a deep metric learning collaborative with a Support Vector…

机器学习 · 计算机科学 2020-08-06 Hao-Ren Yao , Der-Chen Chang , Ophir Frieder , Wendy Huang , I-Chia Liang , Chi-Feng Hung

Deep generative models are stochastic neural networks capable of learning the distribution of data so as to generate new samples. Conditional Variational Autoencoder (CVAE) is a powerful deep generative model aiming at maximizing the lower…

计算机视觉与模式识别 · 计算机科学 2019-03-12 Shima Kamyab , Rasool Sabzi , Zohreh Azimifar

Graph-based data present unique challenges and opportunities for machine learning. Graph Neural Networks (GNNs), and especially those algorithms that capture graph topology through message passing for neighborhood aggregation, have been a…

机器学习 · 计算机科学 2024-04-19 Zheyi Qin , Randy Paffenroth , Anura P. Jayasumana

In genome-scale constraint-based metabolic models, gene deletion strategies are essential for achieving growth-coupled production, where cell growth and target metabolite synthesis occur simultaneously. Despite the inherently networked…

定量方法 · 定量生物学 2026-04-10 Ziwei Yang , Takeyuki Tamura

Link prediction is a fundamental problem in graph data analysis. While most of the literature focuses on transductive link prediction that requires all the graph nodes and majority of links in training, inductive link prediction, which only…

机器学习 · 计算机科学 2021-10-01 Huidong Liang , Junbin Gao

Understanding disease similarity is critical for advancing diagnostics, drug discovery, and personalized treatment strategies. We present PhenoGnet, a novel graph-based contrastive learning framework designed to predict disease similarity…

基因组学 · 定量生物学 2025-09-18 Ranga Baminiwatte , Kazi Jewel Rana , Aaron J. Masino