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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

The spatiotemporal coordination and regulation of cell proliferation is fundamental in many aspects of development and tissue maintenance. Cells have the ability to adapt their division rates in response to mechanical constraints, yet we do…

Quantitative Methods · Quantitative Biology 2024-04-25 Carles Falcó , Daniel J. Cohen , José A. Carrillo , Ruth E. Baker

Background: Spatial transcriptomics have emerged as a powerful tool in biomedical research because of its ability to capture both the spatial contexts and abundance of the complete RNA transcript profile in organs of interest. However,…

Genomics · Quantitative Biology 2025-04-18 Shuo Shuo Liu , Shikun Wang , Yuxuan Chen , Anil K. Rustgi , Ming Yuan , Jianhua Hu

Predicting spatial gene expression from routine H\&E enables large-scale molecular profiling, yet current models treat this as isolated pointwise tasks, thereby overlooking essential biological structures like gene coordination and spatial…

Machine Learning · Computer Science 2026-05-19 Qi Si , Penglei Wang , Yushuai Wu , Yifeng Jiao , Xuyang Liu , Xin Guo , Yuan Qi , Yuan Cheng

Motivation: Networks underlie the generation and interpretation of many biological datasets: gene networks shed light on the regulatory structure of the genome, and cell networks can capture structure of the tumor micro-environment.…

Machine Learning · Statistics 2026-03-18 Bailey Andrew , Erica L. Harris , James A. Poulter , David R. Westhead , Luisa Cutillo

In this paper we study an important global regulation mechanism of transcription of biological cells using specific macro-molecules, 6S RNAs. The functional property of 6S RNAs is of blocking the transcription of RNAs when the environment…

Probability · Mathematics 2022-08-22 Vincent Fromion , Philippe Robert , Jana Zaherddine

Diffusion models (DMs) have achieved state-of-the-art results for image synthesis tasks as well as density estimation. Applied in the latent space of a powerful pretrained autoencoder (LDM), their immense computational requirements can be…

Computer Vision and Pattern Recognition · Computer Science 2022-10-21 Jeremias Traub

Many causal systems such as biological processes in cells can only be observed indirectly via measurements, such as gene expression. Causal representation learning -- the task of correctly mapping low-level observations to latent causal…

Machine Learning · Computer Science 2025-10-31 Elliot Layne , Jason Hartford , Sébastien Lachapelle , Mathieu Blanchette , Dhanya Sridhar

Cell segmentation is a critical step for quantitative single-cell analysis in microscopy images. Existing cell segmentation methods are often tailored to specific modalities or require manual interventions to specify hyper-parameters in…

Mathematical models describing the spatial spreading and invasion of populations of biological cells are often developed in a continuum modelling framework using reaction-diffusion equations. While continuum models based on linear diffusion…

Cellular Automata and Lattice Gases · Physics 2024-01-23 Matthew J Simpson , Keeley M Murphy , Scott W McCue , Pascal R Buenzli

Predicting how genetic perturbations change cellular state is a core problem for building controllable models of gene regulation. Perturbations targeting the same gene can produce different transcriptional responses depending on their…

Genomics · Quantitative Biology 2026-02-12 Boyang Fu , George Dasoulas , Sameer Gabbita , Xiang Lin , Shanghua Gao , Xiaorui Su , Soumya Ghosh , Marinka Zitnik

Comprehending the long-timescale dynamics of protein-ligand complexes is very important for drug discovery and structural biology, but it continues to be computationally challenging for large biomolecular systems. We introduce…

Biomolecules · Quantitative Biology 2025-08-26 Rakesh Thakur , Riya Gupta

In this work, we introduce CellxPert, a scalable multimodal foundation model that unifies single-cell and spatial multi-omics within a common representation space. CellxPert jointly encodes transcriptomic (scRNA-seq),…

Genomics · Quantitative Biology 2026-05-05 Andac Demir , Erik W. Anderson , Jeremy L. Jenkins , Srayanta Mukherjee

Diffusion generative models have emerged as a powerful framework for addressing problems in structural biology and structure-based drug design. These models operate directly on 3D molecular structures. Due to the unfavorable scaling of…

Biomolecules · Quantitative Biology 2024-05-10 Ian Dunn , David Ryan Koes

We present and analyse a model for cell signalling processes in biological tissues. The model includes diffusion and nonlinear reactions on the cell surfaces, and both inter- and intracellular signalling. Using techniques from the theory of…

Analysis of PDEs · Mathematics 2020-03-12 Mariya Ptashnyk , Chandrasekhar Venkataraman

Molecular structure elucidation from spectra is a fundamental challenge in molecular science. Conventional approaches rely heavily on expert interpretation and lack scalability, while retrieval-based machine learning approaches remain…

Machine Learning · Computer Science 2025-11-06 Liang Wang , Yu Rong , Tingyang Xu , Zhenyi Zhong , Zhiyuan Liu , Pengju Wang , Deli Zhao , Qiang Liu , Shu Wu , Liang Wang , Yang Zhang

Graph-based representation approaches have been proven to be successful in the analysis of biomedical data, due to their capability of capturing intricate dependencies between biological entities, such as the spatial organization of…

Machine Learning · Computer Science 2023-10-11 Manuel Madeira , Dorina Thanou , Pascal Frossard

In this study, we present a stochastic simulation model designed to explicitly incorporate cell cycle length, overcoming limitations associated with classical compartmental models. Our approach employs a delay mechanism to represent the…

Populations and Evolution · Quantitative Biology 2025-04-01 Peter Boldog , Gergely Röst

Single-cell RNA sequencing (scRNA-seq), especially temporally resolved datasets, enables genome-wide profiling of gene expression dynamics at single-cell resolution across discrete time points. However, current technologies provide only…

Genomics · Quantitative Biology 2025-11-19 Yue Ling , Peiqi Zhang , Zhenyi Zhang , Peijie Zhou

Humans excel at discovering regular structures from limited samples and applying inferred rules to novel settings. We investigate whether modern generative models can similarly learn underlying rules from finite samples and perform…

Machine Learning · Computer Science 2024-11-13 Binxu Wang , Jiaqi Shang , Haim Sompolinsky
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