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The integration of knowledge graphs and graph machine learning (GML) in genomic data analysis offers several opportunities for understanding complex genetic relationships, especially at the RNA level. We present a comprehensive approach for…

Artificial Intelligence · Computer Science 2024-08-06 Shivika Prasanna , Ajay Kumar , Deepthi Rao , Eduardo Simoes , Praveen Rao

Graph Neural Networks (GNNs) are effective tools for graph representation learning. Most GNNs rely on a recursive neighborhood aggregation scheme, named message passing, thereby their theoretical expressive power is limited to the…

Machine Learning · Computer Science 2023-09-19 Dingmin Wang , Shengchao Liu , Hanchen Wang , Bernardo Cuenca Grau , Linfeng Song , Jian Tang , Song Le , Qi Liu

A major goal in genomics is to properly capture the complex dynamical behaviors of gene regulatory networks (GRNs). This includes inferring the complex interactions between genes, which can be used for a wide range of genomics analyses,…

Molecular Networks · Quantitative Biology 2023-01-18 Mohammad Alali , Mahdi Imani

Identifying causal relations among multi-variate time series is one of the most important elements towards understanding the complex mechanisms underlying the dynamic system. It provides critical tools for forecasting, simulations and…

Machine Learning · Computer Science 2023-02-22 Yang Sun , Yifan Xie

We formulate a practical yet challenging problem: General Partial Label Learning (GPLL). Compared to the traditional Partial Label Learning (PLL) problem, GPLL relaxes the supervision assumption from instance-level -- a label set partially…

Computer Vision and Pattern Recognition · Computer Science 2021-09-10 Brian Chen , Bo Wu , Alireza Zareian , Hanwang Zhang , Shih-Fu Chang

The health condition of components in civil infrastructures can be described by various discrete states according to their performance degradation. Inferring these states from measurable responses is typically an ill-posed inverse problem.…

Machine Learning · Statistics 2026-04-30 Teng Li , Stephen Wu , Yong Huang , James L. Beck , Hui Li

Recent research efforts have shown the possibility to discover anticancer drug-like molecules in food from their effect on protein-protein interaction networks, opening a potential pathway to disease-beating diet design. We formulate this…

Machine Learning · Computer Science 2020-01-17 Guadalupe Gonzalez , Shunwang Gong , Ivan Laponogov , Kirill Veselkov , Michael Bronstein

This paper introduces a novel approach to embed flow-based models with hierarchical structures. The proposed framework is named Variational Flow Graphical (VFG) Model. VFGs learn the representation of high dimensional data via a…

Machine Learning · Statistics 2022-07-07 Shaogang Ren , Belhal Karimi , Dingcheng Li , Ping Li

Learning network representations is a fundamental task for many graph applications such as link prediction, node classification, graph clustering, and graph visualization. Many real-world networks are interpreted as dynamic networks and…

Machine Learning · Computer Science 2019-10-07 Sedigheh Mahdavi , Shima Khoshraftar , Aijun An

Classical graph modeling approaches such as Erd\H{o}s R\'{e}nyi (ER) random graphs or Barab\'asi-Albert (BA) graphs, here referred to as stylized models, aim to reproduce properties of real-world graphs in an interpretable way. While…

Social and Information Networks · Computer Science 2021-05-05 Cristina Guzman , Daphna Keidar , Tristan Meynier , Andreas Opedal , Niklas Stoehr

Attention-based neural networks have achieved state-of-the-art results on a wide range of tasks. Most such models use deterministic attention while stochastic attention is less explored due to the optimization difficulties or complicated…

Machine Learning · Computer Science 2021-06-10 Shujian Zhang , Xinjie Fan , Bo Chen , Mingyuan Zhou

Malware detection in modern computing environments demands models that are not only accurate but also interpretable and robust to evasive techniques. Graph neural networks (GNNs) have shown promise in this domain by modeling rich structural…

Cryptography and Security · Computer Science 2026-05-26 Hossein Shokouhinejad , Roozbeh Razavi-Far , Griffin Higgins , Ali A Ghorbani

Graph generation is an extremely important task, as graphs are found throughout different areas of science and engineering. In this work, we focus on the modern equivalent of the Erdos-Renyi random graph model: the graph variational…

Machine Learning · Computer Science 2020-02-19 Daniel Flam-Shepherd , Tony Wu , Alan Aspuru-Guzik

Graphical models are powerful tools to investigate complex dependency structures in high-throughput datasets. However, most existing graphical models make one of the two canonical assumptions: (i) a homogeneous graph with a common network…

Methodology · Statistics 2023-10-31 Tsung-Hung Yao , Yang Ni , Anindya Bhadra , Jian Kang , Veerabhadran Baladandayuthapani

Graphical models capture relations between entities in a wide range of applications including social networks, biology, and natural language processing, among others. Graph neural networks (GNN) are neural models that operate over graphs,…

Machine Learning · Computer Science 2024-02-08 Xu Zheng , Farhad Shirani , Tianchun Wang , Shouwei Gao , Wenqian Dong , Wei Cheng , Dongsheng Luo

Finding a low dimensional parametric representation of measured BRDF remains challenging. Currently available solutions are either not interpretable, or rely on limited analytical solutions, or require expensive test subject based…

Graphics · Computer Science 2022-08-09 Alexis Benamira , Sachin Shah , Sumanta Pattanaik

Enhancing the interpretability of graph neural networks (GNNs) is crucial to ensure their safe and fair deployment. Recent work has introduced self-explainable GNNs that generate explanations as part of training, improving both faithfulness…

Machine Learning · Computer Science 2025-08-18 Fanzhen Liu , Xiaoxiao Ma , Jian Yang , Alsharif Abuadbba , Kristen Moore , Surya Nepal , Cecile Paris , Quan Z. Sheng , Jia Wu

Foundation models, such as Large Language Models (LLMs) or Large Vision Models (LVMs), have emerged as one of the most powerful tools in the respective fields. However, unlike text and image data, graph data do not have a definitive…

Machine Learning · Computer Science 2025-04-28 Lecheng Kong , Jiarui Feng , Hao Liu , Chengsong Huang , Jiaxin Huang , Yixin Chen , Muhan Zhang

Understanding disease progression at the molecular pathway level usually requires capturing both structural dependencies between pathways and the temporal dynamics of disease evolution. In this work, we solve the former challenge by…

Machine Learning · Computer Science 2025-02-11 Dai Shi , Kuan Yan , Lequan Lin , Yue Zeng , Ting Zhang , Dmytro Matsypura , Mark C. Gillies , Ling Zhu , Junbin Gao

Graph Neural Networks (GNNs), which generalize the deep neural networks to graph-structured data, have achieved great success in modeling graphs. However, as an extension of deep learning for graphs, GNNs lack explainability, which largely…

Machine Learning · Computer Science 2021-08-30 Enyan Dai , Suhang Wang