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Diabetes, a pervasive and enduring health challenge, imposes significant global implications on health, financial healthcare systems, and societal well-being. This study undertakes a comprehensive exploration of various structural learning…

Machine Learning · Computer Science 2024-03-22 Sheresh Zahoor , Anthony C. Constantinou , Tim M Curtis , Mohammed Hasanuzzaman

Recent work has shown promising results in causal discovery by leveraging interventional data with gradient-based methods, even when the intervened variables are unknown. However, previous work assumes that the correspondence between…

Machine Learning · Computer Science 2022-07-12 Gonçalo R. A. Faria , André F. T. Martins , Mário A. T. Figueiredo

Identifying key genes involved in a particular disease is a very important problem which is considered in biomedical research. GeneRank model is based on the PageRank algorithm that preserves many of its mathematical properties. The model…

Numerical Analysis · Mathematics 2014-03-18 Davod Khojasteh Salkuyeh , Vahid Edalatpour , Davod Hezari

Drug discovery and development is a complex and costly process. Machine learning approaches are being investigated to help improve the effectiveness and speed of multiple stages of the drug discovery pipeline. Of these, those that use…

Artificial Intelligence · Computer Science 2022-09-27 Stephen Bonner , Ian P Barrett , Cheng Ye , Rowan Swiers , Ola Engkvist , Andreas Bender , Charles Tapley Hoyt , William L Hamilton

No man is an island, as individuals interact and influence one another daily in our society. When social influence takes place in experiments on a population of interconnected individuals, the treatment on a unit may affect the outcomes of…

Methodology · Statistics 2017-08-30 Edward K. Kao

The development of novel pharmaceuticals represents a significant challenge in modern science, with substantial costs and time investments. Deep generative models have emerged as promising tools for accelerating drug discovery by…

Atomic Physics · Physics 2025-05-20 Adarsh Singh

The understanding of molecular cell biology requires insight into the structure and dynamics of networks that are made up of thousands of interacting molecules of DNA, RNA, proteins, metabolites, and other components. One of the central…

Molecular Networks · Quantitative Biology 2011-02-25 Bhaskar DasGupta , Paola Vera-Licona , Eduardo Sontag

Modeling the relationship between chemical structure and molecular activity is a key goal in drug development. Many benchmark tasks have been proposed for molecular property prediction, but these tasks are generally aimed at specific,…

Quantitative Methods · Quantitative Biology 2020-10-05 Samuel G. Finlayson , Matthew B. A. McDermott , Alex V. Pickering , Scott L. Lipnick , Isaac S. Kohane

Causal machine learning (ML) offers flexible, data-driven methods for predicting treatment outcomes including efficacy and toxicity, thereby supporting the assessment and safety of drugs. A key benefit of causal ML is that it allows for…

The need for more usable and explainable machine learning models in healthcare increases the importance of developing and utilizing causal discovery algorithms, which aim to discover causal relations by analyzing observational data.…

Machine Learning · Computer Science 2023-05-31 Mugariya Farooq , Shahad Hardan , Aigerim Zhumbhayeva , Yujia Zheng , Preslav Nakov , Kun Zhang

Gene-disease associations are fundamental for understanding disease etiology and developing effective interventions and treatments. Identifying genes not yet associated with a disease due to a lack of studies is a challenging task in which…

Machine Learning · Computer Science 2023-03-08 Paola Stolfi , Andrea Mastropietro , Giuseppe Pasculli , Paolo Tieri , Davide Vergni

A very important topic in systems biology is developing statistical methods that automatically find causal relations in gene regulatory networks with no prior knowledge of causal connectivity. Many methods have been developed for time…

Machine Learning · Statistics 2012-08-22 Shohei Shimizu

We introduce MLRC-Bench, a benchmark designed to quantify how effectively language agents can tackle challenging Machine Learning (ML) Research Competitions, with a focus on open research problems that demand novel methodologies. Unlike…

Cellular mechanism-of-action is of fundamental concern in many biological studies. It is of particular interest for identifying the cause of disease and learning the way in which treatments act against disease. However, pinpointing such…

Methodology · Statistics 2016-10-04 Paula J. Griffin , W. Evan Johnson , Eric D. Kolaczyk

Gene regulatory networks play a crucial role in controlling an organism's biological processes, which is why there is significant interest in developing computational methods that are able to extract their structure from high-throughput…

Machine Learning · Statistics 2019-09-11 Ioan Gabriel Bucur , Tom Claassen , Tom Heskes

Elucidating the genetic basis of human diseases is a central goal of genetics and molecular biology. While traditional linkage analysis and modern high-throughput techniques often provide long lists of tens or hundreds of disease gene…

Quantitative Methods · Quantitative Biology 2011-06-03 Fantine Mordelet , Jean-Philippe Vert

Deep learning (DL) has recently drawn much attention in image analysis, natural language process, and high-dimensional medical data analysis. Under the causal direct acyclic graph (DAG) interpretation, the input variables without incoming…

Applications · Statistics 2022-03-22 Jong-Hyeon Jeong , Yichen Jia

Gene regulation is a series of processes that control gene expression and its extent. The connections among genes and their regulatory molecules, usually transcription factors, and a descriptive model of such connections, are known as gene…

Molecular Networks · Quantitative Biology 2017-04-24 Yasser Abduallah , Turki Turki , Kevin Byron , Zongxuan Du , Miguel Cervantes-Cervantes , Jason T. L. Wang

A data science task can be deemed as making sense of the data or testing a hypothesis about it. The conclusions inferred from data can greatly guide us to make informative decisions. Big data has enabled us to carry out countless prediction…

Machine Learning · Computer Science 2022-01-12 Wenhao Zhang , Ramin Ramezani , Arash Naeim

We propose a novel machine learning approach for inferring causal variables of a target variable from observations. Our focus is on directly inferring a set of causal factors without requiring full causal graph reconstruction, which is…

Machine Learning · Computer Science 2025-10-01 Jang-Hyun Kim , Claudia Skok Gibbs , Sangdoo Yun , Hyun Oh Song , Kyunghyun Cho