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The field of complex self-assembly is moving toward the design of multi-particle structures consisting of thousands of distinct building blocks. To exploit the potential benefits of structures with such `addressable complexity,' we need to…

Soft Condensed Matter · Physics 2015-06-02 William M. Jacobs , Aleks Reinhardt , Daan Frenkel

In living cells, proteins self-assemble into large functional structures based on specific interactions between molecularly complex patches. Due to this complexity, protein self-assembly results from a competition between a large number of…

Soft Condensed Matter · Physics 2024-12-10 Lara Koehler , Pierre Ronceray , Martin Lenz

Neuroevolutionary algorithms, automatic searches of neural network structures by means of evolutionary techniques, are computationally costly procedures. In spite of this, due to the great performance provided by the architectures which are…

Neural and Evolutionary Computing · Computer Science 2021-05-28 Unai Garciarena , Nuno Lourenço , Penousal Machado , Roberto Santana , Alexander Mendiburu

We introduce a simple, fast, and easy to implement unsupervised learning algorithm for detecting different local environments on a single-particle level in colloidal systems. In this algorithm, we use a vector of standard bond-orientational…

Soft Condensed Matter · Physics 2020-01-08 Emanuele Boattini , Marjolein Dijkstra , Laura Filion

Biological neural networks are characterized by their high degree of plasticity, a core property that enables the remarkable adaptability of natural organisms. Importantly, this ability affects both the synaptic strength and the topology of…

Neural and Evolutionary Computing · Computer Science 2024-06-17 Erwan Plantec , Joachin W. Pedersen , Milton L. Montero , Eleni Nisioti , Sebastian Risi

Neural Module Networks, originally proposed for the task of visual question answering, are a class of neural network architectures that involve human-specified neural modules, each designed for a specific form of reasoning. In current…

Machine Learning · Computer Science 2019-11-11 Vardaan Pahuja , Jie Fu , Sarath Chandar , Christopher J. Pal

A hallmark of living systems is the ability to employ a common set of versatile building blocks that can self-organize into a multitude of different structures, in a way that can be controlled with minimal cost. This capability can only be…

Statistical Mechanics · Physics 2022-01-26 Saeed Osat , Ramin Golestanian

The dynamic of complex ordering systems with active rotational degrees of freedom exemplified by protein self-assembly is explored using a machine learning workflow that combines deep learning-based semantic segmentation and rotationally…

Soft Condensed Matter · Physics 2021-04-26 Sergei V. Kalinin , Shuai Zhang , Mani Valleti , Harley Pyles , David Baker , James J. De Yoreo , Maxim Ziatdinov

Inspired by biology's most sophisticated computer, the brain, neural networks constitute a profound reformulation of computational principles. Remarkably, analogous high-dimensional, highly-interconnected computational architectures also…

Disordered Systems and Neural Networks · Physics 2024-01-23 Constantine Glen Evans , Jackson O'Brien , Erik Winfree , Arvind Murugan

We develop a neuroevolution-potential (NEP) framework for generating neural network based machine-learning potentials. They are trained using an evolutionary strategy for performing large-scale molecular dynamics (MD) simulations. A…

Computational Physics · Physics 2022-01-25 Zheyong Fan , Zezhu Zeng , Cunzhi Zhang , Yanzhou Wang , Haikuan Dong , Yue Chen , Tapio Ala-Nissila

Deep learning architectures based on convolutional neural networks tend to rely on continuous, smooth features. While this characteristics provides significant robustness and proves useful in many real-world tasks, it is strikingly…

Computer Vision and Pattern Recognition · Computer Science 2026-03-10 Zuzanna Buchnajzer , Kacper Dobek , Stanisław Hapke , Daniel Jankowski , Krzysztof Krawiec

Many important multi-component crystalline solids undergo mechanochemical spinodal decomposition: a phase transformation in which the compositional redistribution is coupled with structural changes of the crystal, resulting in dynamically…

Computational Engineering, Finance, and Science · Computer Science 2023-07-19 Xiaoxuan Zhang , Krishna Garikipati

Computation, mechanics and materials merge in biological systems, which can continually self-optimize through internal adaptivity across length scales, from cytoplasm and biofilms to animal herds. Recent interest in such material-based…

Soft Condensed Matter · Physics 2023-04-19 Vishal P. Patil , Ian Ho , Manu Prakash

We discuss which properties common-use artifacts should have to collaborate without human intervention. We conceive how devices, such as mobile phones, PDAs, and home appliances, could be seamlessly integrated to provide an "ambient…

Adaptation and Self-Organizing Systems · Physics 2013-04-05 Carlos Gershenson , Francis Heylighen

The so-called Baldwin Effect generally says how learning, as a form of ontogenetic adaptation, can influence the process of phylogenetic adaptation, or evolution. This idea has also been taken into computation in which evolution and…

Neural and Evolutionary Computing · Computer Science 2019-06-24 Nam Le

Neural algorithmic reasoning is an emerging area of machine learning focusing on building models that can imitate the execution of classic algorithms, such as sorting, shortest paths, etc. One of the main challenges is to learn algorithms…

Machine Learning · Computer Science 2023-11-02 Gleb Rodionov , Liudmila Prokhorenkova

This paper presents a novel autonomous robotic assembly framework for constructing stable structures without relying on predefined architectural blueprints. Instead of following fixed plans, construction tasks are defined through targets…

Robotics · Computer Science 2026-03-02 Jingwen Wang , Johannes Kirschner , Paul Rolland , Luis Salamanca , Stefana Parascho

We establish a time-stepping learning algorithm and apply it to predict the solution of the partial differential equation of motion in micromagnetism as a dynamical system depending on the external field as parameter. The data-driven…

Computational Physics · Physics 2021-02-02 Lukas Exl , Norbert J. Mauser , Thomas Schrefl , Dieter Suess

We show that macro-molecular self-assembly can recognize and classify high-dimensional patterns in the concentrations of $N$ distinct molecular species. Similar to associative neural networks, the recognition here leverages dynamical…

Disordered Systems and Neural Networks · Physics 2017-04-26 Weishun Zhong , David J. Schwab , Arvind Murugan

The emergence of vision catalysed a pivotal evolutionary advancement, enabling organisms not only to perceive but also to interact intelligently with their environment. This transformation is mirrored by the evolution of robotic systems,…

Robotics · Computer Science 2025-03-06 Yuhang Hu , Jiong Lin , Hod Lipson