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Causal inference is a vital aspect of multiple scientific disciplines and is routinely applied to high-impact applications such as medicine. However, evaluating the performance of causal inference methods in real-world environments is…

Machine Learning · Computer Science 2023-07-04 Mathieu Chevalley , Yusuf Roohani , Arash Mehrjou , Jure Leskovec , Patrick Schwab

While witnessing the exceptional success of machine learning (ML) technologies in many applications, users are starting to notice a critical shortcoming of ML: correlation is a poor substitute for causation. The conventional way to discover…

Machine Learning · Computer Science 2024-09-26 Ahmet Kapkiç , Pratanu Mandal , Shu Wan , Paras Sheth , Abhinav Gorantla , Yoonhyuk Choi , Huan Liu , K. Selçuk Candan

A system level view of cellular processes for human and several organisms can be cap- tured by analyzing molecular interaction networks. A molecular interaction network formed of differentially expressed genes and their interactions helps…

Molecular Networks · Quantitative Biology 2016-11-09 Jeethu V. Devasia , Priya Chandran

Advances in single-cell omics allow for unprecedented insights into the transcription profiles of individual cells. When combined with large-scale perturbation screens, through which specific biological mechanisms can be targeted, these…

Machine Learning · Computer Science 2023-10-24 Alejandro Tejada-Lapuerta , Paul Bertin , Stefan Bauer , Hananeh Aliee , Yoshua Bengio , Fabian J. Theis

Causal structure learning (CSL) refers to the task of learning causal relationships from data. Advances in CSL now allow learning of causal graphs in diverse application domains, which has the potential to facilitate data-driven causal…

Machine Learning · Statistics 2024-07-09 Luka Kovačević , Izzy Newsham , Sach Mukherjee , John Whittaker

We introduce a comprehensive framework for modeling single cell transcriptomic responses to perturbations, aimed at standardizing benchmarking in this rapidly evolving field. Our approach includes a modular and user-friendly model…

Causal structure learning refers to a process of identifying causal structures from observational data, and it can have multiple applications in biomedicine and health care. This paper provides a practical review and tutorial on scalable…

Machine Learning · Computer Science 2023-01-20 Pulakesh Upadhyaya , Kai Zhang , Can Li , Xiaoqian Jiang , Yejin Kim

Cellular response to a perturbation is the result of a dynamic system of biological variables linked in a complex network. A major challenge in drug and disease studies is identifying the key factors of a biological network that are…

Applications · Statistics 2014-09-02 Lisa M. Pham , Luis Carvalho , Scott Schaus , Eric D. Kolaczyk

Predicting the responses of a cell under perturbations may bring important benefits to drug discovery and personalized therapeutics. In this work, we propose a novel graph variational Bayesian causal inference framework to predict a cell's…

Learning causal relationships from time series data is an important but challenging problem. Existing synthetic datasets often contain hidden artifacts that can be exploited by causal discovery methods, reducing their usefulness for…

Machine Learning · Computer Science 2026-03-23 Xiaoyu He , Petr Ryšavý , Jakub Mareček

This dissertation explores the application of machine learning in molecular biology, focusing on gene expression regulation and cellular behavior at the single-cell level. Using modern neural networks, the research addresses key challenges…

Quantitative Methods · Quantitative Biology 2024-10-01 Yongjian Yang

The ability to understand causality significantly impacts the competence of large language models (LLMs) in output explanation and counterfactual reasoning, as causality reveals the underlying data distribution. However, the lack of a…

Machine Learning · Computer Science 2024-09-30 Yu Zhou , Xingyu Wu , Beicheng Huang , Jibin Wu , Liang Feng , Kay Chen Tan

Diseases involve complex processes and modifications to the cellular machinery. The gene expression profile of the affected cells contains characteristic patterns linked to a disease. Hence, biological knowledge pertaining to a disease can…

Quantitative Methods · Quantitative Biology 2020-04-13 Thomas Gaudelet , Noel Malod-Dognin , Jon Sanchez-Valle , Vera Pancaldi , Alfonso Valencia , Natasa Przulj

Identifying variables responsible for changes to a biological system enables applications in drug target discovery and cell engineering. Given a pair of observational and interventional datasets, the goal is to isolate the subset of…

Machine Learning · Computer Science 2025-06-02 Menghua Wu , Umesh Padia , Sean H. Murphy , Regina Barzilay , Tommi Jaakkola

Machine learning is the science of discovering statistical dependencies in data, and the use of those dependencies to perform predictions. During the last decade, machine learning has made spectacular progress, surpassing human performance…

Machine Learning · Statistics 2016-07-13 David Lopez-Paz

Motivation: Identifying the molecular pathways more prone to disruption during a pathological process is a key task in network medicine and, more in general, in systems biology. Results: In this work we propose a pipeline that couples a…

Planning effective interventions in biological systems requires treatment-effect models that adapt to unseen biological contexts by identifying their specific underlying mechanisms. Yet single-cell perturbation datasets span only a handful…

Machine Learning · Computer Science 2026-05-08 Marvin Sextro , Weronika Kłos , Gabriel Dernbach

Predicting the effects of chemical and genetic perturbations on quantitative cell states is a central challenge in computational biology, molecular medicine and drug discovery. Recent work has leveraged large-scale single-cell data and…

Machine Learning · Computer Science 2026-03-16 Michael Scholkemper , Sach Mukherjee

Function and dysfunctions of neural systems are tied to the temporal evolution of neural states. The current limitations in showing their causal role stem largely from the absence of tools capable of probing the brain's internal state in…

Neurons and Cognition · Quantitative Biology 2024-09-24 Ayesha Vermani , Matthew Dowling , Hyungju Jeon , Ian Jordan , Josue Nassar , Yves Bernaerts , Yuan Zhao , Steven Van Vaerenbergh , Il Memming Park

Causal discovery aims to infer causal relationships among variables from observational data, typically represented by a directed acyclic graph (DAG). Most existing methods assume independent and identically distributed observations, an…

Methodology · Statistics 2026-03-27 Alex Chen , Qing Zhou
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