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Genetic mutations can cause disease by disrupting normal gene function. Identifying the disease-causing mutations from millions of genetic variants within an individual patient is a challenging problem. Computational methods which can…

Machine Learning · Computer Science 2021-06-28 Jun Cheng , Carolin Lawrence , Mathias Niepert

Collaborative learning, which enables collaborative and decentralized training of deep neural networks at multiple institutions in a privacy-preserving manner, is rapidly emerging as a valuable technique in healthcare applications. However,…

Computer Vision and Pattern Recognition · Computer Science 2022-04-15 Liangqiong Qu , Niranjan Balachandar , Miao Zhang , Daniel Rubin

Motivation: Molecular interaction networks summarize complex biological processes as graphs, whose structure is informative of biological function at multiple scales. Simultaneously, omics technologies measure the variation or activity of…

Quantitative Methods · Quantitative Biology 2020-12-24 Ramin Hasibi , Tom Michoel

With the recent technological advances, biological datasets, often represented by networks (i.e., graphs) of interacting entities, proliferate with unprecedented complexity and heterogeneity. Although modern network science opens new…

Social and Information Networks · Computer Science 2021-04-09 Islem Rekik , Mustafa Burak Gurbuz

Graph neural networks (GNNs) learn representations from network data with naturally distributed architectures, rendering them well-suited candidates for decentralized learning. Oftentimes, this decentralized graph support changes with time…

Machine Learning · Computer Science 2020-10-27 Zhan Gao , Fernando Gama , Alejandro Ribeiro

Drug combinations are frequently used for the treatment of cancer patients in order to increase efficacy, decrease adverse side effects, or overcome drug resistance. Given the enormous number of drug combinations, it is cost- and…

Molecular Networks · Quantitative Biology 2021-02-18 Peiran Jiang , Shujun Huang , Zhenyuan Fu , Zexuan Sun , Ted M. Lakowski , Pingzhao Hu

This paper studies causal inference with observational data from a single large network. We consider a nonparametric model with interference in both potential outcomes and selection into treatment. Specifically, both stages may be the…

Econometrics · Economics 2025-12-30 Michael P. Leung , Pantelis Loupos

Recently, significant attention has been given to the idea of viewing relational databases as heterogeneous graphs, enabling the application of graph neural network (GNN) technology for predictive tasks. However, existing GNN methods…

Machine Learning · Computer Science 2025-02-26 Francesco Ferrini , Antonio Longa , Andrea Passerini , Manfred Jaeger

Graph representation learning has made major strides over the past decade. However, in many relational domains, the input data are not suited for simple graph representations as the relationships between entities go beyond pairwise…

Machine Learning · Computer Science 2021-01-20 Balasubramaniam Srinivasan , Da Zheng , George Karypis

Graph transformation that predicts graph transition from one mode to another is an important and common problem. Despite much progress in developing advanced graph transformation techniques in recent years, the fundamental assumption…

Machine Learning · Computer Science 2023-05-25 Shiyu Wang , Guangji Bai , Qingyang Zhu , Zhaohui Qin , Liang Zhao

Graph-based neural network models are gaining traction in the field of representation learning due to their ability to uncover latent topological relationships between entities that are otherwise challenging to identify. These models have…

Image and Video Processing · Electrical Eng. & Systems 2023-07-25 Aryan Singh , Pepijn Van de Ven , Ciarán Eising , Patrick Denny

We introduce a graph generating model aimed at representing the evolution of protein interaction networks. The model is based on the hypotesis of evolution by duplications and divergence of the genes which produce proteins. The obtained…

Statistical Mechanics · Physics 2007-05-23 A. Vazquez , A. Flammini , A. Maritan , A. Vespignani

Graph generation is a crucial task in many fields, including network science and bioinformatics, as it enables the creation of synthetic graphs that mimic the properties of real-world networks for various applications. Graph Generative…

Machine Learning · Computer Science 2026-01-21 Salvatore Romano , Marco Grassia , Giuseppe Mangioni

Although substantial efforts have been made using graph neural networks (GNNs) for AI-driven drug discovery (AIDD), effective molecular representation learning remains an open challenge, especially in the case of insufficient labeled…

Machine Learning · Computer Science 2023-11-07 Zhen Wang , Zheng Feng , Yanjun Li , Bowen Li , Yongrui Wang , Chulin Sha , Min He , Xiaolin Li

Genetic variants (GVs) are defined as differences in the DNA sequences among individuals and play a crucial role in diagnosing and treating genetic diseases. The rapid decrease in next generation sequencing cost has led to an exponential…

Machine Learning · Computer Science 2024-12-06 Zehui Li , Vallijah Subasri , Guy-Bart Stan , Yiren Zhao , Bo Wang

Drug combination therapy is a well-established strategy for disease treatment with better effectiveness and less safety degradation. However, identifying novel drug combinations through wet-lab experiments is resource intensive due to the…

Machine Learning · Computer Science 2023-01-18 Zhihang Hu , Qinze Yu , Yucheng Guo , Taifeng Wang , Irwin King , Xin Gao , Le Song , Yu Li

The identification of predefined groups of genes ("gene-sets") which are differentially expressed between two conditions ("gene-set analysis", or GSA) is a very popular analysis in bioinformatics. GSA incorporates biological knowledge by…

Methodology · Statistics 2013-08-14 Nicolas Städler , Sach Mukherjee

While Graph Neural Networks (GNNs) have achieved remarkable results in a variety of applications, recent studies exposed important shortcomings in their ability to capture the structure of the underlying graph. It has been shown that the…

Machine Learning · Computer Science 2023-09-26 Giorgos Bouritsas , Fabrizio Frasca , Stefanos Zafeiriou , Michael M. Bronstein

When designing control strategies for an infectious disease it is critical to identify the key pathways of transmission. Data on infected hosts - when they were born, where they lived and with whom they interacted - can help infer sources…

Quantitative Methods · Quantitative Biology 2026-03-27 Anthony J Wood , Aeron R Sanchez , Rowland R Kao

Molecular representation learning has shown great success in advancing AI-based drug discovery. The core of many recent works is based on the fact that the 3D geometric structure of molecules provides essential information about their…

Machine Learning · Computer Science 2024-10-23 Jiying Zhang , Zijing Liu , Yu Wang , Yu Li
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