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We introduce a comprehensive data-driven framework aimed at enhancing the modeling of physical systems, employing inference techniques and machine learning enhancements. As a demonstrative application, we pursue the modeling of cathodic…

Computational Physics · Physics 2025-02-04 Christian Jacobsen , Jiayuan Dong , Mehdi Khalloufi , Xun Huan , Karthik Duraisamy , Maryam Akram , Wanjiao Liu

In this paper I present a novel type of Topology and Weight Evolving Artificial Neural Network (TWEANN) system called Modular Discover & eXplore Neural Network (DXNN). Modular DXNN utilizes a hierarchical/modular topology which allows for…

Neural and Evolutionary Computing · Computer Science 2010-12-08 Gene I. Sher

Data-driven models based on deep learning algorithms intend to overcome the limitations of traditional constitutive modelling by directly learning from data. However, the need for extensive data that collate the full state of the material…

Materials Science · Physics 2023-12-27 Filippo Masi , Itai Einav

We propose a simple, but efficient and accurate machine learning (ML) model for developing high-dimensional potential energy surface. This so-called embedded atom neural network (EANN) approach is inspired by the well-known empirical…

Chemical Physics · Physics 2019-10-23 Yaolong Zhang , Ce Hu , Bin Jiang

Recent research has made the surprising finding that state-of-the-art deep learning models sometimes fail to generalize to small variations of the input. Adversarial training has been shown to be an effective approach to overcome this…

Machine Learning · Computer Science 2020-03-26 Sven Gowal , Chongli Qin , Po-Sen Huang , Taylan Cemgil , Krishnamurthy Dvijotham , Timothy Mann , Pushmeet Kohli

Deep neural networks (DNNs) are known for extracting useful information from large amounts of data. However, the representations learned in DNNs are typically hard to interpret, especially in dense layers. One crucial issue of the classical…

Neural and Evolutionary Computing · Computer Science 2021-05-06 Yuyang Gao , Giorgio A. Ascoli , Liang Zhao

Traditional entropy-based methods - such as cross-entropy loss in classification problems - have long been essential tools for representing the information uncertainty and physical disorder in data and for developing artificial intelligence…

Machine Learning · Computer Science 2026-01-06 Shun Wang , Shun-Li Shang , Zi-Kui Liu , Wenrui Hao

Recently, token-based generation have demonstrated their effectiveness in image synthesis. As a representative example, non-autoregressive Transformers (NATs) can generate decent-quality images in a few steps. NATs perform generation in a…

Computer Vision and Pattern Recognition · Computer Science 2024-11-12 Zanlin Ni , Yulin Wang , Renping Zhou , Yizeng Han , Jiayi Guo , Zhiyuan Liu , Yuan Yao , Gao Huang

This study proposes a novel approach that combines theory and data-driven choice models using Artificial Neural Networks (ANNs). In particular, we use continuous vector representations, called embeddings, for encoding categorical or…

Machine Learning · Statistics 2021-10-01 Ioanna Arkoudi , Carlos Lima Azevedo , Francisco C. Pereira

We present Temporal Aggregation Network (TAN) which decomposes 3D convolutions into spatial and temporal aggregation blocks. By stacking spatial and temporal convolutions repeatedly, TAN forms a deep hierarchical representation for…

Computer Vision and Pattern Recognition · Computer Science 2018-12-18 Xiyang Dai , Bharat Singh , Joe Yue-Hei Ng , Larry S. Davis

Physics-informed neural networks (PINNs) have shown promising potential for solving partial differential equations (PDEs) using deep learning. However, PINNs face training difficulties for evolutionary PDEs, particularly for dynamical…

Neural and Evolutionary Computing · Computer Science 2023-12-25 Siqi Chen , Bin Shan , Ye Li

Physics-constrained data-driven computing is an emerging computational paradigm that allows simulation of complex materials directly based on material database and bypass the classical constitutive model construction. However, it remains…

Numerical Analysis · Mathematics 2022-09-12 Xiaolong He , Qizhi He , Jiun-Shyan Chen

Biological plastic neural networks are systems of extraordinary computational capabilities shaped by evolution, development, and lifetime learning. The interplay of these elements leads to the emergence of adaptive behavior and…

Neural and Evolutionary Computing · Computer Science 2018-08-09 Andrea Soltoggio , Kenneth O. Stanley , Sebastian Risi

Temporal causal representation learning is a powerful tool for uncovering complex patterns in observational studies, which are often represented as low-dimensional time series. However, in many real-world applications, data are…

Machine Learning · Computer Science 2025-07-21 Jianhong Chen , Meng Zhao , Mostafa Reisi Gahrooei , Xubo Yue

Machine learning models of materials$^{1-5}$ accelerate discovery compared to ab initio methods: deep learning models now reproduce density functional theory (DFT)-calculated results at one hundred thousandths of the cost of DFT$^{6}$. To…

In the present work, a machine learning based constitutive model for electro-mechanically coupled material behavior at finite deformations is proposed. Using different sets of invariants as inputs, an internal energy density is formulated…

Computational Engineering, Finance, and Science · Computer Science 2022-08-30 Dominik K. Klein , Rogelio Ortigosa , Jesús Martínez-Frutos , Oliver Weeger

Data-driven methods have changed the way we understand and model materials. However, while providing unmatched flexibility, these methods have limitations such as reduced capacity to extrapolate, overfitting, and violation of physics…

Computational Engineering, Finance, and Science · Computer Science 2023-01-26 Vahidullah Tac , Kevin Linka , Francisco Sahli-Costabal , Ellen Kuhl , Adrian Buganza Tepole

Convolutional Neural Networks (CNNs) excel at extracting local features hierarchically, but their performance in capturing complex correlations hinges heavily on deep architectures, which are usually computationally demanding and difficult…

Computer Vision and Pattern Recognition · Computer Science 2026-04-10 Chia-Wei Hsing , Wei-Lin Tu

Characterization and modeling of path-dependent behaviors of complex materials by phenomenological models remains challenging due to difficulties in formulating mathematical expressions and internal state variables (ISVs) governing…

Numerical Analysis · Mathematics 2022-08-23 Xiaolong He , Jiun-Shyan Chen

Constitutive models play a crucial role in materials science as they describe the behavior of the materials in mathematical forms. Over the last few decades, the rapid development of manufacturing technologies have led to the discovery of…

Materials Science · Physics 2024-10-17 Xinxin Wu , Yin Zhang , Sheng Mao