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Topologically interlocking architectures can generate tough ceramics with attractive thermo-mechanical properties. This concept can make the material design pathway a challenging task, since modeling the whole design space is neither…

Computational Engineering, Finance, and Science · Computer Science 2023-05-22 Elham Kiyani , Hamidreza Yazdani Sarvestani , Hossein Ravanbakhsh , Razyeh Behbahani , Behnam Ashrafi , Meysam Rahmat , Mikko Karttunen

Machine learning (ML) methods are becoming popular tools for the prediction and design of novel materials. In particular, neural network (NN) is a promising ML method, which can be used to identify hidden trends in the data. However, these…

Multimedia content is of predominance in the modern Web era. Investigating how users interact with multimodal items is a continuing concern within the rapid development of recommender systems. The majority of previous work focuses on…

Information Retrieval · Computer Science 2021-07-22 Jinghao Zhang , Yanqiao Zhu , Qiang Liu , Shu Wu , Shuhui Wang , Liang Wang

Recent advances in data-driven research have shown great potential in understanding the intricate relationships between materials and their performances. Herein, we introduce a novel multi modal data-driven approach employing an Automatic…

Machine Learning · Computer Science 2024-11-27 Jaewoong Lee , Junhee Woo , Sejin Kim , Cinthya Paulina , Hyunmin Park , Hee-Tak Kim , Steve Park , Jihan Kim

Cardiovascular diseases are widespread among patients with chronic noncommunicable diseases and are one of the leading causes of death, including in the working age. The article presents the relevance of the development and application of…

Machine Learning · Computer Science 2023-08-22 T. V. Afanasieva , A. P. Kuzlyakin , A. V. Komolov

We present a complete set of chemo-structural descriptors to significantly extend the applicability of machine-learning (ML) in material screening and mapping energy landscape for multicomponent systems. These new descriptors allow…

Materials Science · Physics 2018-08-08 Kamal Choudhary , Brian DeCost , Francesca Tavazza

Lattice thermal conductivity (LTC) is a critical parameter for thermal transport properties, playing a pivotal role in advancing thermoelectric materials and thermal management technologies. Traditional computational methods, such as…

Materials Science · Physics 2025-09-22 Yuxuan Zeng , Wei Cao , Yijing Zuo , Tan Peng , Yue Hou , Ling Miao , Ziyu Wang , Jing Shi

Ultrahigh lattice thermal conductivity materials hold great importance since they play a critical role in the thermal management of electronic and optical devices. Models using machine learning can search for materials with outstanding…

Materials Science · Physics 2021-05-19 Shenghong Ju , Ryo Yoshida , Chang Liu , Kenta Hongo , Terumasa Tadano , Junichiro Shiomi

New discoveries in chemistry and materials science, with increasingly expanding volume of requisite knowledge and experimental workload, provide unique opportunities for machine learning (ML) to take critical roles in accelerating research…

The rapid advancement of machine learning and artificial intelligence (AI)-driven techniques is revolutionizing materials discovery, property prediction, and material design by minimizing human intervention and accelerating scientific…

Materials Science · Physics 2026-01-06 Dilshod Nematov , Mirabbos Hojamberdiev

The development of accurate constitutive models for materials that undergo path-dependent processes continues to be a complex challenge in computational solid mechanics. Challenges arise both in considering the appropriate model assumptions…

Machine Learning · Computer Science 2023-02-22 Jan N. Fuhg , Craig M. Hamel , Kyle Johnson , Reese Jones , Nikolaos Bouklas

In this work, we study lattice structures that exhibit a bistable behavior, i. e., they can snap from one stable state to another, and are also completely reversible, capable of reverting back to its original state through a heat treatment.…

Classical Physics · Physics 2022-07-19 Aditya Vasudevan , José A. Rodríguez-Martínez , Ignacio Romero

Process-structure-property relationships are fundamental in materials science and engineering and are key to the development of new and improved materials. Symbolic regression serves as a powerful tool for uncovering mathematical models…

Materials Science · Physics 2025-11-12 Evgeniya Kabliman , Gabriel Kronberger

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

With the advent of powerful computer simulation techniques, it is time to move from the widely used knowledge-guided empirical methods to approaches driven by data science, mainly machine learning algorithms. We investigated the predictive…

We propose an approach to materials prediction that uses a machine-learning interatomic potential to approximate quantum-mechanical energies and an active learning algorithm for the automatic selection of an optimal training dataset. Our…

Materials Science · Physics 2018-06-28 Konstantin Gubaev , Evgeny V. Podryabinkin , Gus L. W. Hart , Alexander V. Shapeev

Synthesis of advanced inorganic materials with minimum number of trials is of paramount importance towards the acceleration of inorganic materials development. The enormous complexity involved in existing multi-variable synthesis methods…

Materials Science · Physics 2020-11-02 Bijun Tang , Yuhao Lu , Jiadong Zhou , Han Wang , Prafful Golani , Manzhang Xu , Quan Xu , Cuntai Guan , Zheng Liu

We propose an efficient approach for simultaneous prediction of thermal and electronic transport properties in complex materials. Firstly, a highly efficient machine-learned neuroevolution potential is trained using reference data from…

Materials Science · Physics 2024-04-08 Zheyong Fan , Yang Xiao , Yanzhou Wang , Penghua Ying , Shunda Chen , Haikuan Dong

Understanding material failure is critical for designing stronger and lighter structures by identifying weaknesses that could be mitigated. Existing full-physics numerical simulation techniques involve trade-offs between speed, accuracy,…

The electronic transport properties of graphene-based superlattice structures are investigated. A graphene-based modulation-doped superlattice structure geometry is proposed and consist of periodically arranged alternate layers:…

Mesoscale and Nanoscale Physics · Physics 2013-11-25 Dima Bolmatov , Chung-Yu Mou