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We propose a method to facilitate exploration and analysis of new large data sets. In particular, we give an unsupervised deep learning approach to learning a latent representation that captures semantic similarity in the data set. The core…

Computer Vision and Pattern Recognition · Computer Science 2020-12-23 Gary B Huang , Huei-Fang Yang , Shin-ya Takemura , Pat Rivlin , Stephen M Plaza

One of the ultimate goals of computational modeling in condensed matter is to be able to accurately compute materials properties with minimal empirical information. First-principles approaches such as the density functional theory (DFT)…

This paper presents a data-driven framework for modeling plastic deformation in crystalline metals through acoustic emission (AE) analysis. Building on experimental data from compressive loading of nickel micropillars, the study introduces…

Machine Learning · Computer Science 2026-03-30 Khalid El-Awady

Recently, learned image compression has achieved remarkable performance. The entropy model, which estimates the distribution of the latent representation, plays a crucial role in boosting rate-distortion performance. However, most entropy…

Image and Video Processing · Electrical Eng. & Systems 2024-09-16 Wei Jiang , Jiayu Yang , Yongqi Zhai , Peirong Ning , Feng Gao , Ronggang Wang

Machine learning has the potential to accelerate materials discovery by accurately predicting materials properties at a low computational cost. However, the model inputs remain a key stumbling block. Current methods typically use…

Computational Physics · Physics 2021-01-07 Rhys E. A. Goodall , Alpha A. Lee

The properties of soft electronic materials depend on the coupling of electronic and conformational degrees of freedom over a wide range of spatiotemporal scales. Description of such properties requires multiscale approaches capable of, at…

Soft Condensed Matter · Physics 2023-07-19 Riccardo Alessandri , Juan J. de Pablo

As a nonlocal extension of continuum mechanics, peridynamics has been widely and effectively applied in different fields where discontinuities in the field variables arise from an initially continuous body. An important component of the…

Numerical Analysis · Mathematics 2021-09-22 Xiao Xu , Marta D'Elia , John T. Foster

Designing functional materials requires a deep search through multidimensional spaces for system parameters that yield desirable material properties. For cases where conventional parameter sweeps or trial-and-error sampling are impractical,…

Materials Science · Physics 2022-03-22 Sanket Kadulkar , Zachary M. Sherman , Venkat Ganesan , Thomas M. Truskett

Understanding and mastering the mechanical properties of metallic nanoparticles is crucial for their use in a wide range of applications. In this context, we use atomic-scale (Molecular Dynamics) and continuous (Finite Elements)…

Materials Science · Physics 2023-03-14 Matteo Erbi , Hakim Amara , Riccardo Gatti

Extended defects such as dislocation networks and general grain boundaries are ubiquitous in metals, and accurately modeling these extensive defects is crucial for understanding their deformation mechanisms. Existing machine learning…

Materials Science · Physics 2025-06-10 Fei Shuang , Kai Liu , Yucheng Ji , Wei Gao , Luca Laurenti , Poulumi Dey

The advent of neural-network-based deep learning techniques has led to the emergence of increasingly sophisticated numerical interatomic potentials, including graph neural networks and large language-motivated foundation models.…

Chemical Physics · Physics 2026-03-09 Susan R. Atlas

We propose Deep Autoencoding Predictive Components (DAPC) -- a self-supervised representation learning method for sequence data, based on the intuition that useful representations of sequence data should exhibit a simple structure in the…

Machine Learning · Computer Science 2021-03-02 Junwen Bai , Weiran Wang , Yingbo Zhou , Caiming Xiong

Long range order and symmetry in heterogeneous materials architected on crystal lattices lead to elastic and inelastic anisotropies and thus limit mechanical functionalities in particular crystallographic directions. Here, we present a…

Soft Condensed Matter · Physics 2025-11-17 Jehoon Moon , Gisoo Lee , Jaehee Lee , Hansohl Cho

When metallic glasses (MGs) are subjected to mechanical loads, the plastic response of atoms is non-uniform. However, the extent and manner in which atomic environment signatures present in the undeformed structure determine this plastic…

Materials Science · Physics 2020-01-22 Qi Wang , Anubhav Jain

Reactive chemistry of molecular hydrogen at surfaces, notably dissociative sticking and hydrogen evolution, plays a crucial role in energy storage and fuel cells. Theoretical studies can help to decipher underlying mechanisms and reaction…

Robotic and animal mapping systems share many of the same objectives and challenges, but differ in one key aspect: where much of the research in robotic mapping has focused on solving the data association problem, the grid cell neurons…

Computer Vision and Pattern Recognition · Computer Science 2018-10-24 Huu Le , Michael Milford

Microstructural changes in solids, driven by energy flows, do not develop in a static continuous space, such as the space considered in conventional plasticity models. The applied forces create an evolving internal energy landscape, which…

Materials Science · Physics 2024-12-19 Elijah Borodin , Afonso D. M. Barroso , Andrey P. Jivkov

Machine learning interatomic potentials (MLIPs) have become widely used tools in atomistic simulations. For much of the history of this field, the most commonly employed architectures were based on short-ranged atomic energy contributions,…

Chemical Physics · Physics 2026-03-17 William J. Baldwin , Ilyes Batatia , Martin Vondrák , Johannes T. Margraf , Gábor Csányi

Crack-templated networks, metallic frameworks fabricated from crack patterns in sacrificial thin films, can exhibit high optical transmittance, high electric conductivity, and a host of other properties attractive for applications. Despite…

Applied Physics · Physics 2022-06-08 Jaeuk Kim , Thomas M. Truskett

With the continuous development of network environments and technologies, ensuring cyber security and governance is increasingly challenging. Network traffic classification(ETC) can analyzes attributes such as application categories and…

Networking and Internet Architecture · Computer Science 2025-08-05 Tian Qin , Guang Cheng , Zihan Chen , Yuyang Zhou