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Molecular dynamics (MD) has become a powerful tool for studying biophysical systems, due to increasing computational power and availability of software. Although MD has made many contributions to better understanding these complex…

Computational Physics · Physics 2019-09-27 Yihang Wang , Joao Marcelo Lamim Ribeiro , Pratyush Tiwary

Neural Cellular Automata (NCA) represent a powerful framework for modeling biological self-organization, extending classical rule-based systems with trainable, differentiable (or evolvable) update rules that capture the adaptive…

Artificial Intelligence · Computer Science 2025-09-16 Benedikt Hartl , Michael Levin , Léo Pio-Lopez

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

Identifying the genes and mutations that drive the emergence of tumors is a major step to improve understanding of cancer and identify new directions for disease diagnosis and treatment. Despite the large volume of genomics data, the…

Machine Learning · Computer Science 2022-04-05 Renan Andrades , Mariana Recamonde-Mendoza

The analysis and interpretation of relationships between biological molecules is done with the help of networks. Networks are used ubiquitously throughout biology to represent the relationships between genes and gene products. Network…

Computational Engineering, Finance, and Science · Computer Science 2012-11-13 Rashmi Rameshwari , T. V. Prasad

Generative modeling of single-cell RNA-seq data is crucial for tasks like trajectory inference, batch effect removal, and simulation of realistic cellular data. However, recent deep generative models simulating synthetic single cells from…

Quantitative Methods · Quantitative Biology 2025-03-04 Alessandro Palma , Till Richter , Hanyi Zhang , Manuel Lubetzki , Alexander Tong , Andrea Dittadi , Fabian Theis

Datasets from single-molecule experiments often reflect a large variety of molecular behaviour. The exploration of such datasets can be challenging, especially if knowledge about the data is limited and a priori assumptions about expected…

Data Analysis, Statistics and Probability · Physics 2020-04-06 Anton Vladyka , Tim Albrecht

Developing models with high interpretability and even deriving formulas to quantify relationships between biological data is an emerging need. We propose here a framework for ab initio derivation of sequence motifs and linear formula using…

Quantitative Methods · Quantitative Biology 2022-08-23 Chengyu Liu , Wei Wang

Proteins are the fundamental macromolecules that play diverse and crucial roles in all living matter and have tremendous implications in healthcare, manufacturing, and biotechnology. Their functions are largely determined by the sequences…

Biomolecules · Quantitative Biology 2024-09-17 Boqiao Lai

The interactions between cells and the extracellular matrix are vital for the self-organisation of tissues. In this paper we present proof-of-concept to use machine learning tools to predict the role of this mechanobiology in the…

Tissues and Organs · Quantitative Biology 2023-04-03 Allison E. Andrews , Hugh Dickinson , James P. Hague

A major challenge in both neuroscience and machine learning is the development of useful tools for understanding complex information processing systems. One such tool is probes, i.e., supervised models that relate features of interest to…

Machine Learning · Computer Science 2021-04-19 Anna A. Ivanova , John Hewitt , Noga Zaslavsky

Protein representation learning plays a crucial role in understanding the structure and function of proteins, which are essential biomolecules involved in various biological processes. In recent years, deep learning has emerged as a…

Biomolecules · Quantitative Biology 2024-03-11 Bozhen Hu , Cheng Tan , Lirong Wu , Jiangbin Zheng , Jun Xia , Zhangyang Gao , Zicheng Liu , Fandi Wu , Guijun Zhang , Stan Z. Li

New technologies have enabled the investigation of biology and human health at an unprecedented scale and in multiple dimensions. These dimensions include a myriad of properties describing genome, epigenome, transcriptome, microbiome,…

Quantitative Methods · Quantitative Biology 2018-10-22 Marinka Zitnik , Francis Nguyen , Bo Wang , Jure Leskovec , Anna Goldenberg , Michael M. Hoffman

Machine learning (ML) and deep learning (DL) models have been employed to significantly improve analyses of medical imagery, with these approaches used to enhance the accuracy of prediction and classification. Model predictions and…

Image and Video Processing · Electrical Eng. & Systems 2023-08-22 Rabia Asghar , Sanjay Kumar , Paul Hynds , Arslan Shaukat

Cellular automata are discrete and computational models thatcan be shown as general models of complexity. They are used in varied applications to derive the generalized behavior of the presented model. In this paper we have took one such…

Neural and Evolutionary Computing · Computer Science 2020-05-14 Karan Nayak

Nanopore sensing is a versatile technique for the analysis of molecules on the single-molecule level. However, extracting information from data with established algorithms usually requires time-consuming checks by an experienced researcher…

Quantitative Methods · Quantitative Biology 2018-06-14 Karolis Misiunas , Niklas Ermann , Ulrich F. Keyser

Accurately modeling and designing protein complex structures is a central problem in computational structural biology, with broad implications for understanding cellular function and developing therapeutics. This thesis investigates two…

Machine Learning · Computer Science 2026-05-13 Ziwei Xie

Cell lineage decisions occur in three-dimensional spatial patterns that are difficult to identify by eye. There is an ongoing effort to replicate such patterns using mathematical modeling. One approach uses long ranging cell-cell…

Cell Behavior · Quantitative Biology 2022-12-21 Robin Dirk , Jonas L. Fischer , Simon Schardt , Markus J. Ankenbrand , Sabine C. Fischer

Single-cell RNA sequencing (scRNA-seq) enables high-resolution analysis of cellular heterogeneity, but its complexity, which is marked by high dimensionality, sparsity, and batch effects, which poses major computational challenges.…

Computation and Language · Computer Science 2026-03-25 Cong Qi , Hanzhang Fang , Siqi Jiang , Xun Song , Tianxing Hu , Wei Zhi

Proteins play a pivotal role in biological systems. The use of machine learning algorithms for protein classification can assist and even guide biological experiments, offering crucial insights for biotechnological applications. We…

Quantitative Methods · Quantitative Biology 2024-10-24 Yizheng Wang , Yixiao Zhai , Yijie Ding , Quan Zou
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