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Motivation: Predicting Drug-Target Interaction (DTI) is a well-studied topic in bioinformatics due to its relevance in the fields of proteomics and pharmaceutical research. Although many machine learning methods have been successfully…

Quantitative Methods · Quantitative Biology 2021-07-14 Haiyang Wang , Guangyu Zhou , Siqi Liu , Jyun-Yu Jiang , Wei Wang

New biological assays like Perturb-seq link highly parallel CRISPR interventions to a high-dimensional transcriptomic readout, providing insight into gene regulatory networks. Causal gene regulatory networks can be represented by directed…

Machine Learning · Statistics 2024-02-22 Albert Xue , Jingyou Rao , Sriram Sankararaman , Harold Pimentel

In this article, we propose a new hypothesis testing method for directed acyclic graph (DAG). While there is a rich class of DAG estimation methods, there is a relative paucity of DAG inference solutions. Moreover, the existing methods…

Machine Learning · Statistics 2023-05-25 Chengchun Shi , Yunzhe Zhou , Lexin Li

Estimating the structure of directed acyclic graphs (DAGs) from observational data remains a significant challenge in machine learning. Most research in this area concentrates on learning a single DAG for the entire population. This paper…

Machine Learning · Statistics 2024-02-21 Ryan Thompson , Edwin V. Bonilla , Robert Kohn

We develop a novel convolutional architecture tailored for learning from data defined over directed acyclic graphs (DAGs). DAGs can be used to model causal relationships among variables, but their nilpotent adjacency matrices pose unique…

Machine Learning · Computer Science 2024-05-07 Samuel Rey , Hamed Ajorlou , Gonzalo Mateos

We study the challenges of applying deep learning to gene expression data. We find experimentally that there exists non-linear signal in the data, however is it not discovered automatically given the noise and low numbers of samples used in…

Genomics · Quantitative Biology 2018-06-20 Francis Dutil , Joseph Paul Cohen , Martin Weiss , Georgy Derevyanko , Yoshua Bengio

Directed acyclic graphs (DAGs) are a class of graphs commonly used in practice, with examples that include electronic circuits, Bayesian networks, and neural architectures. While many effective encoders exist for DAGs, it remains…

Machine Learning · Computer Science 2025-05-30 Michael Sun , Orion Foo , Gang Liu , Wojciech Matusik , Jie Chen

With huge amounts of training data, deep learning has made great breakthroughs in many artificial intelligence (AI) applications. However, such large-scale data sets present computational challenges, requiring training to be distributed on…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-11-01 Shaohuai Shi , Qiang Wang , Xiaowen Chu , Bo Li

Accurately predicting drug-target interactions (DTIs) is pivotal for advancing drug discovery and target validation techniques. While machine learning approaches including those that are based on Graph Neural Networks (GNN) have achieved…

Machine Learning · Computer Science 2025-09-30 Yuehua Song , Yong Gao

Recent advancements in graph representation learning have shifted attention towards dynamic graphs, which exhibit evolving topologies and features over time. The increased use of such graphs creates a paramount need for generative models…

Machine Learning · Computer Science 2024-12-23 Ryien Hosseini , Filippo Simini , Venkatram Vishwanath , Henry Hoffmann

Causal discovery, the learning of causality in a data mining scenario, has been of strong scientific and theoretical interest as a starting point to identify "what causes what?" Contingent on assumptions and a proper learning algorithm, it…

Methodology · Statistics 2022-05-23 Gabriel Ruiz , Oscar Hernan Madrid Padilla , Qing Zhou

A major task in genetic studies is to identify genes related to human diseases and traits to understand functional characteristics of genetic mutations and enhance patient diagnosis. Besides marginal analyses of individual genes,…

Methodology · Statistics 2021-11-09 Jin Jin , Yue Wang

Increasing evidence has shown that gene-gene interactions have important effects on biological processes of human diseases. Due to the high dimensionality of genetic measurements, existing interaction analysis methods usually suffer from a…

Methodology · Statistics 2021-01-11 Xing Qin , Shuangge Ma , Mengyun Wu

We give methods for Bayesian inference of directed acyclic graphs, DAGs, and the induced causal effects from passively observed complete data. Our methods build on a recent Markov chain Monte Carlo scheme for learning Bayesian networks,…

Machine Learning · Computer Science 2020-11-19 Jussi Viinikka , Antti Hyttinen , Johan Pensar , Mikko Koivisto

Gaining more comprehensive knowledge about drug-drug interactions (DDIs) is one of the most important tasks in drug development and medical practice. Recently graph neural networks have achieved great success in this task by modeling drugs…

Machine Learning · Computer Science 2019-10-09 Tengfei Ma , Junyuan Shang , Cao Xiao , Jimeng Sun

Learning the structure of causal directed acyclic graphs (DAGs) is useful in many areas of machine learning and artificial intelligence, with wide applications. However, in the high-dimensional setting, it is challenging to obtain good…

Machine Learning · Statistics 2024-05-27 Stephen Smith , Qing Zhou

Directed acyclic graphs (DAGs) are commonly used to model causal relationships among random variables. In general, learning the DAG structure is both computationally and statistically challenging. Moreover, without additional information,…

Machine Learning · Statistics 2024-03-26 Ali Shojaie , Wenyu Chen

Causal interactions among a group of variables are often modeled by a single causal graph. In some domains, however, these interactions are best described by multiple co-existing causal graphs, e.g., in dynamical systems or genomics. This…

Machine Learning · Computer Science 2024-12-04 Burak Varıcı , Dmitriy Katz-Rogozhnikov , Dennis Wei , Prasanna Sattigeri , Ali Tajer

We present a method to generate directed acyclic graphs (DAGs) using deep reinforcement learning, specifically deep Q-learning. Generating graphs with specified structures is an important and challenging task in various application fields,…

Machine Learning · Computer Science 2019-06-07 Laura D'Arcy , Padraig Corcoran , Alun Preece

Gene-gene interactions play a crucial role in the manifestation of complex human diseases. Uncovering significant gene-gene interactions is a challenging task. Here, we present an innovative approach utilizing data-driven computational…

Artificial Intelligence · Computer Science 2024-10-22 Yifan Wu , Yuntao Yang , Zirui Liu , Zhao Li , Khushbu Pahwa , Rongbin Li , Wenjin Zheng , Xia Hu , Zhaozhuo Xu