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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…

人工智能 · 计算机科学 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…

机器学习 · 计算机科学 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,…

分子网络 · 定量生物学 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…

机器学习 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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.…

机器学习 · 统计学 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…

机器学习 · 计算机科学 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…

机器学习 · 统计学 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…

机器学习 · 计算机科学 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…

社会与信息网络 · 计算机科学 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…

机器学习 · 计算机科学 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…

密码学与安全 · 计算机科学 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…

机器学习 · 计算机科学 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…

统计方法学 · 统计学 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,…

机器学习 · 计算机科学 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…

图形学 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 2021-08-30 Enyan Dai , Suhang Wang