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Molecular dynamics (MD) is a powerful technique for studying microscopic phenomena, but its computational cost has driven significant interest in the development of deep learning-based surrogate models. We introduce generative modeling of…

Biomolecules · Quantitative Biology 2024-09-27 Bowen Jing , Hannes Stärk , Tommi Jaakkola , Bonnie Berger

Single-cell technologies are revolutionizing the entire field of biology. The large volumes of data generated by single-cell technologies are high-dimensional, sparse, heterogeneous, and have complicated dependency structures, making…

Single and collective cell migration are fundamental processes critical for physiological phenomena ranging from embryonic development and immune response to wound healing and cancer metastasis. To understand cell migration from a physical…

Biological Physics · Physics 2023-10-10 David B. Brückner , Chase P. Broedersz

As an injury heals, an embryo develops, or a carcinoma spreads, epithelial cells systematically change their shape. In each of these processes cell shape is studied extensively, whereas variation of shape from cell-to-cell is dismissed most…

Grid cells in the medial entorhinal cortex (MEC) of the mammalian brain exhibit a strikingly regular hexagonal firing field over space. These cells are learned after birth and are thought to support spatial navigation but also more abstract…

Neurons and Cognition · Quantitative Biology 2024-10-07 Mufeng Tang , Helen Barron , Rafal Bogacz

Quantification of anatomical shape changes currently relies on scalar global indexes which are largely insensitive to regional or asymmetric modifications. Accurate assessment of pathology-driven anatomical remodeling is a crucial step for…

Cross-sections of cell shapes in a tissue monolayer typically resemble a tiling of convex polygons. Yet, examples exist where the polygons are not convex with curved cell-cell interfaces, as seen in the adaxial epidermis. To date,…

Biological Physics · Physics 2024-06-21 Kyungeun Kim , J. M. Schwarz , Martine Ben Amar

Cell-cell adhesion plays a vital role in the development and maintenance of multicellular organisms. One of its functions is regulation of cell migration, such as occurs, e.g. during embryogenesis or in cancer. In this work, we develop a…

Tissues and Organs · Quantitative Biology 2024-03-08 Anna Zhigun , Mabel Lizzy Rajendran

The response of adult human bone marrow stromal stem cells to surface topographies generated through femtosecond laser machining can be predicted by a deep neural network. The network is capable of predicting cell response to a…

Image and Video Processing · Electrical Eng. & Systems 2020-09-25 Benita S. Mackay , Matthew Praeger , James A. Grant-Jacob , Janos Kanczler , Robert W. Eason , Richard O. C. Oreffo , Ben Mills

Biomolecular graph analysis has recently gained much attention in the emerging field of geometric deep learning. Here we focus on organizing biomolecular graphs in ways that expose meaningful relations and variations between them. We…

Machine Learning · Computer Science 2022-03-29 Egbert Castro , Andrew Benz , Alexander Tong , Guy Wolf , Smita Krishnaswamy

How do mammalian cells that share the same genome exist in notably distinct phenotypes, exhibiting differences in morphology, gene expression patterns, and epigenetic chromatin statuses? Furthermore how do cells of different phenotypes…

Molecular Networks · Quantitative Biology 2015-04-27 Jianhua Xing , Jin Yu , Hang Zhang , Xiao-Jun Tian

We use a Convolutional Recurrent Neural Network approach to learn morphological evolution driven by surface diffusion. To this aim we first produce a training set using phase field simulations. Intentionally, we insert in such a set only…

Computational Physics · Physics 2024-05-07 Daniele Lanzoni , Marco Albani , Roberto Bergamaschini , Francesco Montalenti

Motivation: Despite its great success in various physical modeling, differential geometry (DG) has rarely been devised as a versatile tool for analyzing large, diverse and complex molecular and biomolecular datasets due to the limited…

Quantitative Methods · Quantitative Biology 2018-06-12 Duc Duy Nguyen , Guo-Wei Wei

Polygon representation learning is essential for diverse applications, encompassing tasks such as shape coding, building pattern classification, and geographic question answering. While recent years have seen considerable advancements in…

Computer Vision and Pattern Recognition · Computer Science 2025-04-10 Dazhou Yu , Yuntong Hu , Yun Li , Liang Zhao

Many cellular processes involve information processing and decision making. We can probe these processes at increasing molecular detail. The analysis of heterogeneous data remains a challenge that requires new ways of thinking about cells…

Cell Behavior · Quantitative Biology 2024-12-03 Lucy Ham , Taylor E. Woodford , Megan A. Coomer , Michael P. H. Stumpf

Highly accurate biomolecular structure prediction is a key component of developing biomolecular foundation models, and one of the most critical aspects of building foundation models is identifying the recipes for scaling the model. In this…

Biomolecules · Quantitative Biology 2026-01-02 Yi Zhou , Chan Lu , Yiming Ma , Wei Qu , Fei Ye , Kexin Zhang , Lan Wang , Minrui Gui , Quanquan Gu

The fundamental understanding of how cells physically interact with each other and their environment is key to understanding their organisation in living tissues. Over the past decades several computational methods have been developed to…

Quantitative Methods · Quantitative Biology 2026-01-22 Paul Van Liedekerke , Jiří Pešek , Kevin Alessandri , Dirk Drasdo

Mollusk shells are an ideal model system for understanding the morpho-elastic basis of morphological evolution of invertebrates' exoskeletons. During the formation of the shell, the mantle tissue secretes proteins and minerals that calcify…

Quantitative Methods · Quantitative Biology 2019-08-12 Shiva Rudraraju , Derek E. Moulton , Régis Chirat , Alain Goriely , Krishna Garikipati

Deep learning-based medical image segmentation and surface mesh generation typically involve a sequential pipeline from image to segmentation to meshes, often requiring large training datasets while making limited use of prior geometric…

Developing epithelial tissues coordinate cell proliferation and mechanical forces to achieve proper size and shape. As epithelial cells tightly adhere together to form the confluent tissue, the distribution of cell areas significantly…

Biological Physics · Physics 2026-01-22 Michael F. Staddon , Natalie A. Dye , Marko Popović , Frank Jülicher