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We present a simple yet effective method for structure prediction of two-dimensional structures. The method is based on a combination of neural networks and evolutionary techniques. It allows finding pristine 2D structures as well as…

Materials Science · Physics 2020-05-15 K. Zberecki

Evolution and development operate at different timescales; generations for the one, a lifetime for the other. These two processes, the basis of much of life on earth, interact in many non-trivial ways, but their temporal hierarchy --…

Neural and Evolutionary Computing · Computer Science 2022-01-20 Fabien C. Y. Benureau , Jun Tani

Data-driven material models have many advantages over classical numerical approaches, such as the direct utilization of experimental data and the possibility to improve performance of predictions when additional data is available. One…

Computational Engineering, Finance, and Science · Computer Science 2020-06-11 Dengpeng Huang , Jan Niklas Fuhg , Christian Weißenfels , Peter Wriggers

Biological growth is often driven by mechanical cues, such as changes in external pressure or tensile loading. Moreover, it is well known that many living tissues actively maintain a preferred level of mechanical internal stress, called the…

Biological Physics · Physics 2018-04-24 Alexander Erlich , Derek E. Moulton , Alain Goriely

Based on a non-equilibrium mechanism for spatial pattern formation we study how position information can be controlled by locally coupled discrete dynamical networks, similar to gene regulation networks of cells in a developing…

Molecular Networks · Quantitative Biology 2009-08-26 Thimo Rohlf , Stefan Bornholdt

The formulation of rheological constitutive equations -- models that relate internal stresses and deformations in complex fluids -- is a critical step in the engineering of systems involving soft materials. While data-driven models provide…

Soft Condensed Matter · Physics 2022-10-11 Kyle R. Lennon , Gareth H. McKinley , James W. Swan

A self-adaptive system can modify its own structure and behavior at runtime based on its perception of the environment, of itself and of its requirements. To develop a self-adaptive system, software developers codify knowledge about the…

Software Engineering · Computer Science 2022-10-13 Andreas Metzger , Clément Quinton , Zoltán Ádám Mann , Luciano Baresi , Klaus Pohl

The expansion of programmatically-accessible materials data has cultivated opportunities for data-driven approaches. Highly-automated frameworks like AFLOW not only manage the generation, storage, and dissemination of materials data, but…

Materials Science · Physics 2018-05-17 Corey Oses , Cormac Toher , Stefano Curtarolo

Amphiphilic molecules spontaneously form self-assembled structures of various shapes depending on their molecular structures, the temperature, and other physical conditions. The functionalities of these structures are dictated by their…

Soft Condensed Matter · Physics 2024-04-18 Takeo Sudo , Satoki Ishiai , Yuuki Ishiwatari , Takahiro Yokoyama , Kenji Yasuoka , Noriyoshi Arai

RNA function crucially depends on its structure. Thermodynamic models currently used for secondary structure prediction rely on computing the partition function of folding ensembles, and can thus estimate minimum free-energy structures and…

Biomolecules · Quantitative Biology 2022-07-26 Nicola Calonaci , Alisha Jones , Francesca Cuturello , Michael Sattler , Giovanni Bussi

Reprogrammable mechanical metamaterials, composed of a lattice of discretely adaptive elements, are emerging as a promising platform for mechanical intelligence. To operate in unknown environments, such structures must go beyond passive…

This study aims to capture aerodynamic causality from snapshot data with a time-varying mode decomposition technique referred to as information-theoretic machine learning. The current approach extracts time-dependent informative vortical…

Fluid Dynamics · Physics 2026-05-19 Ryo Koshikawa , Ryo Araki , Qiong Liu , Kai Fukami

We propose an interdisciplinary framework that combines Bayesian predictive inference, a well-established tool in Machine Learning, with Formal Methods rooted in the computer science community. Bayesian predictive inference allows for…

Computation · Statistics 2025-08-21 Laura Vana , Ennio Visconti , Laura Nenzi , Annalisa Cadonna , Gregor Kastner

Model-driven engineering is the automatic production of software artefacts from abstract models of structure and functionality. By targeting a specific class of system, it is possible to automate aspects of the development process, using…

Software Engineering · Computer Science 2013-01-03 Chen-Wei Wang , Jim Davies

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

Accurate prediction of structural failure modes under seismic excitations is essential for seismic risk and resilience assessment. Traditional simulation-based approaches often result in imbalanced datasets dominated by non-failure or…

Machine Learning · Computer Science 2026-02-12 Jungho Kim , Taeyong Kim

A key goal of unsupervised learning is to go beyond density estimation and sample generation to reveal the structure inherent within observed data. Such structure can be expressed in the pattern of interactions between explanatory latent…

Machine Learning · Computer Science 2022-11-11 Changmin Yu , Hugo Soulat , Neil Burgess , Maneesh Sahani

Unstructured grid data are essential for modelling complex geometries and dynamics in computational physics. Yet, their inherent irregularity presents significant challenges for conventional machine learning (ML) techniques. This paper…

In this study, we address causal inference when only observational data and a valid causal ordering from the causal graph are available. We introduce a set of flow models that can recover component-wise, invertible transformation of…

Machine Learning · Computer Science 2024-12-16 Minh Khoa Le , Kien Do , Truyen Tran

Machine learning models often require large datasets and struggle to generalize beyond their training distribution. These limitations pose significant challenges in scientific and engineering contexts, where generating exhaustive datasets…

Chemical Physics · Physics 2025-06-12 Salman N. Salman , Sergey A. Shteingolts , Ron Levie , Dan Mendels
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