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In single-cell research, tracing and analyzing high-throughput single-cell differentiation trajectories is crucial for understanding biological processes. Key to this is the robust modeling of hierarchical structures that govern cellular…

Machine Learning · Computer Science 2026-05-19 Zelin Zang , WenZhe Li , Yongjie Xu , Chang Yu , Changxi Chi , Jingbo Zhou , Zhen Lei , Stan Z. Li

A major goal of modern computational biology is to simulate the collective behaviour of large cell populations starting from the intricate web of molecular interactions occurring at the microscopic level. In this paper we describe a…

Biological Physics · Physics 2007-05-23 Roberto Chignola , Edoardo Milotti

Phenotypic drug discovery has attracted widespread attention because of its potential to identify bioactive molecules. Transcriptomic profiling provides a comprehensive reflection of phenotypic changes in cellular responses to external…

Machine Learning · Computer Science 2025-01-16 Hui Liu , Shikai Jin

Stem cells, through their ability to produce daughter stem cells and differentiate into specialized cells, are essential in the growth, maintenance, and repair of biological tissues. Understanding the dynamics of cell populations in the…

Applications · Statistics 2026-02-02 Huyen Nguyen , Haim Bar , Zhiyi Chi , Vladimir Pozdnyakov

Single-cell trajectory analysis aims to reconstruct the biological developmental processes of cells as they evolve over time, leveraging temporal correlations in gene expression. During cellular development, gene expression patterns…

Applications · Statistics 2026-03-30 Junhao Zhu , Kevin Zhang , Zhaolei Zhang , Dehan Kong

Cellular tissue behavior is a multiscale problem. At the cell level, out of equilibrium, biochemical reactions drive physical cell-cell interactions in a typical active matter process. Cell modeling computer simulations are a robust tool to…

Soft Condensed Matter · Physics 2021-02-09 Emanuel F. Teixeira , Heitor C. M. Fernandes , Leonardo G. Brunnet

We study time continuous branching processes with exponentially distributed lifetimes, with two types of cells that proliferate according to binary fission. A range of possible system dynamics are considered, each of which is characterized…

Probability · Mathematics 2022-04-27 Nam H Nguyen , Marek Kimmel

Deep generative models have recently been applied to molecule design. If the molecules are encoded in linear SMILES strings, modeling becomes convenient. However, models relying on string representations tend to generate invalid samples and…

Machine Learning · Computer Science 2020-10-20 Bo Pang , Tian Han , Ying Nian Wu

We present a probabilistic 3D generative model, named Generative Cellular Automata, which is able to produce diverse and high quality shapes. We formulate the shape generation process as sampling from the transition kernel of a Markov…

Computer Vision and Pattern Recognition · Computer Science 2021-03-09 Dongsu Zhang , Changwoon Choi , Jeonghwan Kim , Young Min Kim

Deciphering complex gene-gene interactions remains challenging in transcriptomics as traditional methods often miss higher-order and nonlinear dependencies. This study introduces a quantum-inspired framework leveraging tensor networks (TNs)…

Molecular Networks · Quantitative Biology 2025-09-09 Olatz Sanz Larrarte , Borja Aizpurua , Reza Dastbasteh , Ruben M. Otxoa , Josu Etxezarreta Martinez

A recent technology breakthrough in spatial molecular profiling has enabled the comprehensive molecular characterizations of single cells while preserving spatial information. It provides new opportunities to delineate how cells from…

Applications · Statistics 2021-10-07 Xi Jiang , Qiwei Li , Guanghua Xiao

Diffusion models offer stable training and state-of-the-art performance for deep generative modeling tasks. Here, we consider their use in the context of multivariate subsurface modeling and probabilistic inversion. We first demonstrate…

Computer Vision and Pattern Recognition · Computer Science 2026-01-28 Roberto Miele , Niklas Linde

To advance understanding of cellular metabolism and reduce batch-to-batch variability in cell culture processes, this study introduces a multi-scale hybrid modeling framework designed to simulate and predict the dynamic behavior of CHO cell…

Molecular Networks · Quantitative Biology 2025-11-13 Keqi Wang , Sarah W. Harcum , Wei Xie

Building on the remarkable achievements in generative sampling of natural images, we propose an innovative challenge, potentially overly ambitious, which involves generating samples of entire multivariate time series that resemble images.…

Single-cell RNA sequencing (scRNA-seq) data is a potent tool for comprehending the "language of life" and can provide insights into various downstream biomedical tasks. Large-scale language models (LLMs) are starting to be used for cell…

Computational Engineering, Finance, and Science · Computer Science 2023-06-08 Suyuan Zhao , Jiahuan Zhang , Zaiqing Nie

This study explores the emergence of life through a simulation model approach. The model "Multi-set chemical lattice model" is a model that allows virtual molecules of multiple types to be placed in each lattice cell on a two-dimensional…

Other Quantitative Biology · Quantitative Biology 2023-04-12 Takeshi Ishida

Understanding gene perturbation effects across diverse cellular contexts is a central challenge in functional genomics, with important implications for therapeutic discovery and precision medicine. Single-cell technologies enable…

Genomics · Quantitative Biology 2025-11-25 Abrar Rahman Abir , Sajib Acharjee Dip , Liqing Zhang

We introduce and analyze several aspects of a new model for cell differentiation. It assumes that differentiation of progenitor cells is a continuous process. From the mathematical point of view, it is based on partial differential…

Analysis of PDEs · Mathematics 2013-01-21 Marie Doumic , Anna Marciniak-Czochra , Benoit Perthame , Jorge P. Zubelli

Molecular transitions -- such as protein folding, allostery, and membrane transport -- are central to biology yet remain notoriously difficult to simulate. Their intrinsic rarity pushes them beyond reach of standard molecular dynamics,…

Constructing cell developmental trajectories is a critical task in single-cell RNA sequencing (scRNA-seq) analysis, enabling the inference of potential cellular progression paths. However, current automated methods are limited to…

Computational Geometry · Computer Science 2025-07-31 Qipeng Wang , Shaolun Ruan , Rui Sheng , Yong Wang , Min Zhu , Huamin Qu