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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

Gene regulatory network inference (GRNI) aims to discover how genes causally regulate each other from gene expression data. It is well-known that statistical dependencies in observed data do not necessarily imply causation, as spurious…

Machine Learning · Computer Science 2025-11-05 Gongxu Luo , Haoyue Dai , Loka Li , Chengqian Gao , Boyang Sun , Kun Zhang

Genetic and pharmacological perturbation experiments, such as deleting a gene and monitoring gene expression responses, are powerful tools for studying cellular signal transduction pathways. However, it remains a challenge to automatically…

Molecular Networks · Quantitative Biology 2015-06-15 Songjian Lu , Bo Jin , Ashley Cowart , Xinghua Lu

Single-cell perturbation prediction aims to infer how cells respond to unseen interventions and to achieve out-of-distribution (OOD) generalization, providing a computational route to understanding how perturbations reshape cellular…

Machine Learning · Computer Science 2026-05-26 Wenkang Jiang , Yuhang Liu , Erdun Gao , Ehsan Abbasnejad , Lina Yao , Javen Qinfeng Shi

Predicting genetic perturbations enables the identification of potentially crucial genes prior to wet-lab experiments, significantly improving overall experimental efficiency. Since genes are the foundation of cellular life, building gene…

Quantitative Methods · Quantitative Biology 2025-05-09 Changxi Chi , Jun Xia , Jingbo Zhou , Jiabei Cheng , Chang Yu , Stan Z. Li

We present a novel classification-based method for learning to predict gene regulatory response. Our approach is motivated by the hypothesis that in simple organisms such as Saccharomyces cerevisiae, we can learn a decision rule for…

Quantitative Methods · Quantitative Biology 2007-05-23 Manuel Middendorf , Anshul Kundaje , Chris Wiggins , Yoav Freund , Christina Leslie

Genetic screens mediated via CRISPR-Cas9 combined with high-content readouts have emerged as powerful tools for biological discovery. However, computational analyses of these screens come with additional challenges beyond those found with…

Quantitative Methods · Quantitative Biology 2024-11-14 Ethan Weinberger , Ryan Conrad , Tal Ashuach

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…

The transcriptional response to genetic perturbation reveals fundamental insights into complex cellular systems. While current approaches have made progress in predicting genetic perturbation responses, they provide limited biological…

Molecular Networks · Quantitative Biology 2026-04-02 Yuanfang Xiang , Lun Ai

We present a systematic evaluation framework - thirty-seven analyses, 153 statistical tests, four cell types, two perturbation modalities - for assessing mechanistic interpretability in single-cell foundation models. Applying this framework…

Genomics · Quantitative Biology 2026-02-20 Ihor Kendiukhov

Computational models are invaluable in capturing the complexities of real-world biological processes. Yet, the selection of appropriate algorithms for inference tasks, especially when dealing with real-world observational data, remains a…

Applications · Statistics 2024-10-01 Xiaoyu Wang , Ryan P. Kelly , Adrianne L. Jenner , David J. Warne , Christopher Drovandi

We present a new experimental-computational technology of inferring network models that predict the response of cells to perturbations and that may be useful in the design of combinatorial therapy against cancer. The experiments are…

Aided by advances in neural density estimation, considerable progress has been made in recent years towards a suite of simulation-based inference (SBI) methods capable of performing flexible, black-box, approximate Bayesian inference for…

Machine Learning · Statistics 2022-09-07 Patrick Cannon , Daniel Ward , Sebastian M. Schmon

Influenced by breakthroughs in LLMs, single-cell foundation models are emerging. While these models show successful performance in cell type clustering, phenotype classification, and gene perturbation response prediction, it remains to be…

Spiking Neural Networks (SNNs) are highly energy-efficient due to event-driven, sparse computation, but their training is challenged by spike non-differentiability and trade-offs among performance, efficiency, and biological plausibility.…

Neural and Evolutionary Computing · Computer Science 2026-01-30 Zihan Huang , Zijie Xu , Yihan Huang , Shanshan Jia , Tong Bu , Yiting Dong , Wenxuan Liu , Jianhao Ding , Zhaofei Yu , Tiejun Huang

Scene Graph Generation (SGG) provides basic language representation of visual scenes, requiring models to grasp complex and diverse semantics between objects. This complexity and diversity in SGG leads to underrepresentation, where parts of…

Computer Vision and Pattern Recognition · Computer Science 2025-04-30 Yuxuan Wang , Xiaoyuan Liu

Predicting how cells respond to genetic perturbations is fundamental to understanding gene function, disease mechanisms, and therapeutic development. While recent deep learning approaches have shown promise in modeling single-cell…

Machine Learning · Computer Science 2026-03-10 Andrea Giuseppe Di Francesco , Andrea Rubbi , Pietro Liò

Explaining predictions based on multivariate time series data carries the additional difficulty of handling not only multiple features, but also time dependencies. It matters not only what happened, but also when, and the same feature could…

Machine Learning · Computer Science 2023-05-31 Joseph Enguehard

In the genome biology research, regulatory genome modeling is an important topic for many regulatory downstream tasks, such as promoter classification, transaction factor binding sites prediction. The core problem is to model how regulatory…

Genomics · Quantitative Biology 2021-11-04 Shentong Mo , Xi Fu , Chenyang Hong , Yizhen Chen , Yuxuan Zheng , Xiangru Tang , Zhiqiang Shen , Eric P Xing , Yanyan Lan

A central challenge in many areas of science and engineering is to identify model parameters that are consistent with prior knowledge and empirical data. Bayesian inference offers a principled framework for this task, but can be…