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The present paradigm in design and modelling of lattice architected mechanical metamaterials is mostly limited to traditional numerical methods like finite element analysis. Recently, the use of machine learning and artificial intelligence…

Architected materials possessing physico-chemical properties adaptable to disparate environmental conditions embody a disruptive new domain of materials science. Fueled by advances in digital design and fabrication, materials shaped into…

Materials Science · Physics 2023-09-25 Dominik Dold , Derek Aranguren van Egmond

Lattices are architected metamaterials whose properties strongly depend on their geometrical design. The analogy between lattices and graphs enables the use of graph neural networks (GNNs) as a faster surrogate model compared to traditional…

Machine Learning · Computer Science 2024-03-21 Ivan Grega , Ilyes Batatia , Gábor Csányi , Sri Karlapati , Vikram S. Deshpande

The rise of machine learning has fueled the discovery of new materials and, especially, metamaterials--truss lattices being their most prominent class. While their tailorable properties have been explored extensively, the design of…

Computational Engineering, Finance, and Science · Computer Science 2024-04-17 Li Zheng , Konstantinos Karapiperis , Siddhant Kumar , Dennis M. Kochmann

Lattice structures have great potential for several application fields ranging from medical and tissue engineering to aeronautical one. Their development is further speeded up by the continuing advances in additive manufacturing…

Soft Condensed Matter · Physics 2025-01-13 Chiara Pasini , Oscar Ramponi , Stefano Pandini , Luciana Sartore , Giulia Scalet

This paper investigates the structure-property relations of thin-walled lattices under dynamic longitudinal compression, characterized by their cross-sections and heights. These relations elucidate the interactions of different geometric…

Machine Learning · Computer Science 2022-12-22 Junyan He , Shashank Kushwaha , Diab Abueidda , Iwona Jasiuk

Architecting mechanisms of damage in metamaterials by leveraging lattice topology and geometry poses a vital yet complex challenge, essential for engineering desirable mechanical responses. Of these metamaterials, Maxwell lattices, which…

Soft Condensed Matter · Physics 2025-08-26 Leo de Waal , Matthaios Chouzouris , Marcelo A. Dias

We propose a machine learning approach to address a key challenge in materials science: predicting how fractures propagate in brittle materials under stress, and how these materials ultimately fail. Our methods use deep learning and train…

Graph neural networks can accurately predict the chemical properties of many molecular systems, but their suitability for large, macromolecular assemblies such as gels is unknown. Here, graph neural networks were trained and optimised for…

Computational Physics · Physics 2025-04-14 D. A. Head

Recent advancements in artificial intelligence (AI)-based design strategies for metamaterials have revolutionized the creation of customizable architectures spanning nano- to macro-scale dimensions, achieving unprecedented mechanical…

Applied Physics · Physics 2024-05-22 Namjung Kim , Dongseok Lee , Chanyoung Kim , Dosung Lee , Youngjoon Hong

Structure optimization, which yields the relaxed structure (minimum-energy state), is essential for reliable materials property calculations, yet traditional ab initio approaches such as density-functional theory (DFT) are computationally…

Materials Science · Physics 2025-11-18 Ziduo Yang , Yi-Ming Zhao , Xian Wang , Wei Zhuo , Xiaoqing Liu , Lei Shen

Deep neural networks for graphs have emerged as a powerful tool for learning on complex non-euclidean data, which is becoming increasingly common for a variety of different applications. Yet, although their potential has been widely…

Robotics · Computer Science 2023-10-09 Francesca Pistilli , Giuseppe Averta

Real-time simulation of elastic structures is essential in many applications, from computer-guided surgical interventions to interactive design in mechanical engineering. The Finite Element Method is often used as the numerical method of…

Machine Learning · Computer Science 2021-09-21 Alban Odot , Ryadh Haferssas , Stéphane Cotin

Graphs are a commonly used construct for representing relationships between elements in complex high dimensional datasets. Many real-world phenomenon are dynamic in nature, meaning that any graph used to represent them is inherently…

Social and Information Networks · Computer Science 2018-11-21 Stephen Bonner , John Brennan , Ibad Kureshi , Georgios Theodoropoulos , Andrew Stephen McGough , Boguslaw Obara

We present a graph-based deep learning framework for predicting the magnetic properties of quasi-one-dimensional Ising spin systems. The lattice geometry is encoded as a graph and processed by a graph neural network (GNN) followed by fully…

Disordered Systems and Neural Networks · Physics 2025-07-24 V. Slavin , O. Kryvchikov , D. Laptev

Recent progress in advanced additive manufacturing techniques has stimulated the growth of the field of mechanical metamaterials. One area particular interest in this subject is the creation of auxetic material properties through elastic…

Soft Condensed Matter · Physics 2018-04-04 Daniel Rayneau-Kirkhope , Chengzhao Zhang , Louis Theran , Marcelo A. Dias

Machine learning promises to accelerate the material discovery by enabling high-throughput prediction of desirable macro-properties from atomic-level descriptors or structures. However, the limited data available about precise values of…

Machine Learning · Computer Science 2024-11-28 L. Klochko , M. d'Aquin , A. Togo , L. Chaput

We propose learning deep models that are monotonic with respect to a user-specified set of inputs by alternating layers of linear embeddings, ensembles of lattices, and calibrators (piecewise linear functions), with appropriate constraints…

Machine Learning · Statistics 2017-09-21 Seungil You , David Ding , Kevin Canini , Jan Pfeifer , Maya Gupta

The failure of mechanical metamaterials is a function of the interplay between the properties of the base material and the microstructural geometry. Stochastic failure properties of the base material and disordered microstructural…

Materials Science · Physics 2025-09-01 Sage Fulco , Prashant K. Purohit , Michal K. Budzik , Kevin T. Turner

Graphs are fundamental data structures which concisely capture the relational structure in many important real-world domains, such as knowledge graphs, physical and social interactions, language, and chemistry. Here we introduce a powerful…

Machine Learning · Computer Science 2018-03-12 Yujia Li , Oriol Vinyals , Chris Dyer , Razvan Pascanu , Peter Battaglia
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