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Machine Learning facilitates building a large variety of models, starting from elementary linear regression models to very complex neural networks. Neural networks are currently limited by the size of data provided and the huge…

Materials Science · Physics 2023-08-25 Ruman Moulik , Ankita Phutela , Sajjan Sheoran , Saswata Bhattacharya

Biological data including gene expression data are generally high-dimensional and require efficient, generalizable, and scalable machine-learning methods to discover their complex nonlinear patterns. The recent advances in machine learning…

Machine Learning · Computer Science 2020-12-21 Dinesh Singh , Héctor Climente-González , Mathis Petrovich , Eiryo Kawakami , Makoto Yamada

Rapid development of big data and high-performance computing have encouraged explosive studies of deep learning in geoscience. However, most studies only take single-type data as input, frittering away invaluable multisource, multi-scale…

Machine Learning · Computer Science 2020-05-19 Zhenyu Yuan , Yuxin Jiang , Jingjing Li , Handong Huang

Interatomic potentials are essential for driving molecular dynamics (MD) simulations, directly impacting the reliability of predictions regarding the physical and chemical properties of materials. In recent years, machine-learned potentials…

Materials Science · Physics 2025-03-20 Penghua Ying , Cheng Qian , Rui Zhao , Yanzhou Wang , Feng Ding , Shunda Chen , Zheyong Fan

We present a phenomenological treatment of diffusion-driven martensitic phase transformations in multi-component crystalline solids that arise from non-convex free energies in mechanical and chemical variables. The treatment describes…

Chemical Physics · Physics 2016-09-29 Shiva Rudraraju , Anton Van der Ven , Krishna Garikipati

Deep Reinforcement Learning has enabled the learning of policies for complex tasks in partially observable environments, without explicitly learning the underlying model of the tasks. While such model-free methods achieve considerable…

Machine Learning · Computer Science 2017-01-11 Tanmay Shankar , Santosha K. Dwivedy , Prithwijit Guha

Humans excel at adapting perceptions and actions to diverse environments, enabling efficient interaction with the external world. This adaptive capability relies on the biological nervous system (BNS), which activates different brain…

Machine Learning · Computer Science 2024-11-12 Jingyao Wang , Huijie Guo , Wenwen Qiang , Jiangmeng Li , Changwen Zheng , Hui Xiong , Gang Hua

The emergence of deep learning (DL) has provided great opportunities for the high-throughput analysis of atomic-resolution micrographs. However, the DL models trained by image patches in fixed size generally lack efficiency and flexibility…

This paper puts forward an integrated microstructure design methodology that replaces the common existing design approaches: 1) reconstruction of microstructures, 2) analyzing and quantifying material properties, and 3) inverse design of…

Materials Science · Physics 2023-07-18 Kang-Hyun Lee , Hyoung Jun Lim , Gun Jin Yun

Learning with physical systems is an emerging paradigm that seeks to harness the intrinsic nonlinear dynamics of physical substrates for learning. The impetus for a paradigm shift in how hardware is used for computational intelligence stems…

Disordered Systems and Neural Networks · Physics 2026-04-28 Francesco Caravelli , Gianluca Milano , Adam Z. Stieg , Carlo Ricciardi , Simon Anthony Brown , Zdenka Kuncic

Current deep neural networks (DNNs) used in materials modeling often lack explicit physical structure and clear analytical formulations tailored to material systems, which can limit their interpretability. In this work, we integrate…

Materials Science · Physics 2026-04-15 Yanxiao Hu , Ye Sheng , Caichao Ye , Wenxing Qian , Xiaoxin Xu , Yabei Wu , Jiong Yang , William A. Goddard , Wenqing Zhang

Machine learning offers attractive solutions to challenging image processing tasks. Tedious development and parametrization of algorithmic solutions can be replaced by training a convolutional neural network or a random forest with a high…

Computer Vision and Pattern Recognition · Computer Science 2025-01-31 Katja Schladitz , Claudia Redenbach , Tin Barisin , Christian Jung , Natascha Jeziorski , Lovro Bosnar , Juraj Fulir , Petra Gospodnetić

Active learning, an iterative process of selecting the most informative data points for exploration, is crucial for efficient characterization of materials and chemicals property space. Neural networks excel at predicting these properties…

Disordered Systems and Neural Networks · Physics 2025-06-02 Sarah I. Allec , Maxim Ziatdinov

The response of materials to dynamical, or shock, loading is important to planetary science, aerospace engineering, and energetic materials. Thermal-activated processes, including chemical reactions and phase transitions, are significantly…

Materials Science · Physics 2023-03-31 Chunyu Li , Juan Carlos Verduzco , Brian H. Lee , Robert J. Appleton , Alejandro Strachan

Selection of solution concentrations and flow rates for the fabrication of microfibers using a microfluidic device is a largely empirical endeavor of trial-and-error, largely due to the difficulty of modeling such a multiphysics process.…

Large-scale or high-resolution geologic models usually comprise a huge number of grid blocks, which can be computationally demanding and time-consuming to solve with numerical simulators. Therefore, it is advantageous to upscale geologic…

Machine Learning · Computer Science 2022-01-04 Nanzhe Wang , Qinzhuo Liao , Haibin Chang , Dongxiao Zhang

The use of deep neural network (DNN) models as surrogates for linear and nonlinear structural dynamical systems is explored. The goal is to develop DNN based surrogates to predict structural response, i.e., displacements and accelerations,…

Machine Learning · Computer Science 2021-11-05 Nan Feng , Guodong Zhang , Kapil Khandelwal

Recent advances in physics-augmented neural networks have enabled thermodynamically consistent data-driven constitutive modeling of complex inelastic materials. Most existing approaches, however, implicitly adopt a specific thermodynamic…

Materials Science · Physics 2026-05-28 Reese E. Jones , Jan N. Fuhg

Direct prediction of material properties from microstructures through statistical models has shown to be a potential approach to accelerating computational material design with large design spaces. However, statistical modeling of highly…

Computational Physics · Physics 2017-12-12 Ruijin Cang , Hechao Li , Hope Yao , Yang Jiao , Yi Ren

Retrieval, the initial stage of a recommendation system, is tasked with down-selecting items from a pool of tens of millions of candidates to a few thousands. Embedding Based Retrieval (EBR) has been a typical choice for this problem,…

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