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Since its foundations, more than one hundred years ago, the field of structural biology has strived to understand and analyze the properties of molecules and their interactions by studying the structure that they take in 3D space. However,…

Biomolecules · Quantitative Biology 2023-02-27 Gabriele Corso

Artificial intelligence research to a great degree focuses on the brain and behaviors that the brain generates. But the brain, an extremely complex structure resulting from millions of years of evolution, can be viewed as a solution to…

Neurons and Cognition · Quantitative Biology 2017-03-07 Thomas E. Portegys

Morphogenesis is a tightly regulated process that has been studied for decades. We are developing data-based and image-basd mechanistic models for a range of developmental processes with a view to integrate the available knowledge and to…

Quantitative Methods · Quantitative Biology 2013-09-10 Denis Menshykau , Srivathsan Adivarahan , Philipp Germann , Lisa Lermuzeaux , Dagmar Iber

The last decades witnessed the emergence of the field of correlated disordered media, a great challenge offering a large panel of new perspectives for applications in theoretical modelling and material fabrication. The efficient design of…

Applied Physics · Physics 2023-06-21 Fadhila Chehami , Cyril Decroze , Thomas Pasquet , Emmanuel Perrin , Thomas Fromenteze

We describe a computational model for studying the complexity of self-assembled structures with active molecular components. Our model captures notions of growth and movement ubiquitous in biological systems. The model is inspired by…

Data Structures and Algorithms · Computer Science 2013-01-15 Damien Woods , Ho-Lin Chen , Scott Goodfriend , Nadine Dabby , Erik Winfree , Peng Yin

Cells and microorganisms employ dynamic shape changes to enable steering and avoidance for efficient spatial exploration and collective organization. In contrast, active colloids, their synthetic counterparts, currently lack similar…

Soft Condensed Matter · Physics 2025-01-03 Stefania Ketzetzi , Lorenzo Caprini , Vivien Willems , Laura Alvarez , Hartmut Löwen , Lucio Isa

Nature offers remarkable examples of complex photonic architectures such as those responsible for the iridescent colors of butterfly wings that emerge spontaneously during growth, well before any centralized control takes place. Arising…

Applied Physics · Physics 2025-12-02 Fadhila Chehami , Cyril Decroze , David R. Smith , Thomas Fromentèze

The simulated self-assembly of molecular building blocks into functional complexes is a key area of study in computational biology and materials science. Self-assembly simulations of proteins using physically-motivated potentials for…

Soft Condensed Matter · Physics 2025-09-03 Ivan Spirandelli , Arnur Nigmetov , Dmitriy Morozov , Myfanwy E. Evans

Modern networks are large, highly complex and dynamic. Add to that the mobility of the agents comprising many of these networks. It is difficult or even impossible for such systems to be managed centrally in an efficient manner. It is…

Distributed, Parallel, and Cluster Computing · Computer Science 2012-06-07 Amitabh Trehan

We present a COMSOL Multiphysics implementation of a continuum model for directed cell migration, a key mechanism underlying tissue self-organization and morphogenesis. The model is formulated as a partial integro-differential equation…

Biological Physics · Physics 2025-12-05 Malte Mederacke , Chengyou Yu , Roman Vetter , Dagmar Iber

Data generated by edge devices has the potential to train intelligent autonomous systems across various domains. Despite the emergence of diverse machine learning approaches addressing privacy concerns and utilizing distributed data,…

Machine Learning · Computer Science 2024-03-12 Adarsh N L , Arun P , Alok Porwal , Malcolm Aranha

We present a decentralized model for autonomous reconfiguration of homogeneous pivoting cube modular robots in two dimensions. Each cube in the ensemble is controlled by a neural network that only gains information from other cubes in its…

Neural and Evolutionary Computing · Computer Science 2025-09-04 Nadezhda Dobreva , Emmanuel Blazquez , Jai Grover , Dario Izzo , Yuzhen Qin , Dominik Dold

In nature, biological organisms jointly evolve both their morphology and their neurological capabilities to improve their chances for survival. Consequently, task information is encoded in both their brains and their bodies. In robotics,…

Robotics · Computer Science 2020-06-15 Ana Pervan , Todd D. Murphey

We systematically explore the self-assembly of semi-flexible polymers in deformable spherical confinement across a wide regime of chain stiffness, contour lengths and packing fractions by means of coarse-grained molecular dynamics…

Soft Condensed Matter · Physics 2021-07-12 Maxime M. C. Tortora , Daniel Jost

We describe a hybrid agent-based model and simulation of urban morphogenesis. It consists of a cellular automata grid coupled to a dynamic network topology. The inherently heterogeneous properties of urban structure and function are taken…

Multiagent Systems · Computer Science 2016-12-28 Juste Raimbault , Arnaud Banos , René Doursat

Swarm robots, inspired by the emergence of animal herds, are robots that assemble a large number of modules and self-organize themselves to form specific morphologies and exhibit specific functions. These modular robots perform relatively…

Robotics · Computer Science 2024-05-29 Takeshi Ishida

Complex systems are often decomposed into modular subsystems for engineering tractability. Although various equation based white-box modeling techniques make use of such structure, learning based methods have yet to incorporate these ideas…

Machine Learning · Computer Science 2022-10-31 Jayesh K. Gupta , Sai Vemprala , Ashish Kapoor

A long-standing challenge is designing multi-scale structures with good connectivity between cells while optimizing each cell to reach close to the theoretical performance limit. We propose a new method for direct multi-scale topology…

Neural and Evolutionary Computing · Computer Science 2025-02-21 Hongrui Chen , Xingchen Liu , Levent Burak Kara

We show that neural networks trained by evolutionary reinforcement learning can enact efficient molecular self-assembly protocols. Presented with molecular simulation trajectories, networks learn to change temperature and chemical potential…

Statistical Mechanics · Physics 2020-06-01 Stephen Whitelam , Isaac Tamblyn

A thermodynamically motivated neural network model is described that self-organizes to transport charge associated with internal and external potentials while in contact with a thermal reservoir. The model integrates techniques for rapid,…

Neurons and Cognition · Quantitative Biology 2020-04-22 Todd Hylton