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Deep Material Network (DMN) has recently emerged as a data-driven surrogate model for heterogeneous materials. Given a particular microstructural morphology, the effective linear and nonlinear behaviors can be successfully approximated by…

Computational Engineering, Finance, and Science · Computer Science 2023-12-15 Tianyi Li

Materials informatics (MI), emerging from the integration of materials science and data science, is expected to significantly accelerate material development and discovery. The data used in MI are derived from both computational and…

Materials Science · Physics 2025-04-09 Yusuke Hashimoto , Xue Jia , Hao Li , Takaaki Tomai

The Deep Material Network (DMN) has emerged as a powerful framework for multiscale materials modeling, enabling efficient and accurate prediction of material behavior across different length scales. Unlike conventional data-driven…

Computational Engineering, Finance, and Science · Computer Science 2026-03-23 Ting-Ju Wei , Wen-Ning Wan , Chuin-Shan Chen

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

A fundamental issue in multiscale materials modeling and design is the consideration of traction-separation behavior at the interface. By enriching the deep material network (DMN) with cohesive layers, the paper presents a novel data-driven…

Materials Science · Physics 2020-02-19 Zeliang Liu

This paper proposes a new mean-field framework for over-parameterized deep neural networks (DNNs), which can be used to analyze neural network training. In this framework, a DNN is represented by probability measures and functions over its…

Machine Learning · Statistics 2020-07-06 Cong Fang , Jason D. Lee , Pengkun Yang , Tong Zhang

We introduce HyperDiffusionFields (HyDiF), a framework that models 3D molecular conformers as continuous fields rather than discrete atomic coordinates or graphs. At the core of our approach is the Molecular Directional Field (MDF), a…

Machine Learning · Computer Science 2025-10-22 Sudarshan Babu , Phillip Lo , Xiao Zhang , Aadi Srivastava , Ali Davariashtiyani , Jason Perera , Michael Maire , Aly A. Khan

Graph-based neural networks and, specifically, message-passing neural networks (MPNNs) have shown great potential in predicting physical properties of solids. In this work, we train an MPNN to first classify materials through density…

Computational Physics · Physics 2023-09-13 Tim Bechtel , Daniel T. Speckhard , Jonathan Godwin , Claudia Draxl

We investigate deep morphological neural networks (DMNNs). We demonstrate that despite their inherent non-linearity, "linear" activations are essential for DMNNs. To preserve their inherent sparsity, we propose architectures that constraint…

Machine Learning · Computer Science 2025-12-24 Konstantinos Fotopoulos , Petros Maragos

We present an application of Physics-Informed Neural Networks to handle MultiPhase-Field simulations of microstructure evolution. It has been showcased that a combination of optimization techniques extended and adapted from the PINNs…

Materials Science · Physics 2024-09-04 Seifallah Elfetni , Reza Darvishi Kamachali

This paper proposes an innovative object detector by leveraging deep features learned in high-level layers. Compared with features produced in earlier layers, the deep features are better at expressing semantic and contextual information.…

Computer Vision and Pattern Recognition · Computer Science 2019-12-11 Wenchi Ma , Yuanwei Wu , Feng Cen , Guanghui Wang

The architecture of a neural network and the selection of its activation function are both fundamental to its performance. Equally vital is ensuring these two elements are well-matched, as their alignment is key to achieving effective…

Machine Learning · Computer Science 2025-06-25 Shijun Zhang , Hongkai Zhao , Yimin Zhong , Haomin Zhou

Regression with non-Euclidean responses -- e.g., probability distributions, networks, symmetric positive-definite matrices, and compositions -- has become increasingly important in modern applications. In this paper, we propose deep…

Machine Learning · Statistics 2025-10-21 Kyum Kim , Yaqing Chen , Paromita Dubey

Deep Neural Networks (DNNs) are generated by sequentially performing linear and non-linear processes. Using a combination of linear and non-linear procedures is critical for generating a sufficiently deep feature space. The majority of…

Computer Vision and Pattern Recognition · Computer Science 2022-07-29 Yufei Hu , Nacim Belkhir , Jesus Angulo , Angela Yao , Gianni Franchi

The study of brain states, ranging from highly synchronous to asynchronous neuronal patterns like the sleep-wake cycle, is fundamental for assessing the brain's spatiotemporal dynamics and their close connection to behavior. However, the…

Neurons and Cognition · Quantitative Biology 2023-11-13 Arnau Marin-Llobet , Arnau Manasanch , Maria V. Sanchez-Vives

We introduce \emph{Dynamical Physics-Modeled Neural Networks} (DynPMNNs), a continuous-time deep learning architecture in which each hidden layer is defined as the solution of an ordinary differential equation. Unlike classical feed-forward…

Machine Learning · Computer Science 2026-05-12 Raul Felipe-Sosa , Angel Martin del Rey , Maria Flores Ceballos

We propose a novel framework for representing neural fields on triangle meshes that is multi-resolution across both spatial and frequency domains. Inspired by the Neural Fourier Filter Bank (NFFB), our architecture decomposes the spatial…

Computer Vision and Pattern Recognition · Computer Science 2025-07-22 Avigail Cohen Rimon , Tal Shnitzer , Mirela Ben Chen

Graph Neural Networks (GNNs), especially message-passing neural networks (MPNNs), have emerged as powerful architectures for learning on graphs in diverse applications. However, MPNNs face challenges when modeling non-local interactions in…

Machine Learning · Statistics 2024-01-31 Ilyes Batatia , Lars L. Schaaf , Huajie Chen , Gábor Csányi , Christoph Ortner , Felix A. Faber

Modern Hopfield Networks (MHNs) have emerged as powerful components in deep learning, serving as effective replacements for pooling layers, LSTMs, and attention mechanisms. While recent advancements have significantly improved their storage…

Computational Complexity · Computer Science 2026-01-26 Yang Cao , Xiaoyu Li , Yuanpeng Li , Yingyu Liang , Zhenmei Shi , Zhao Song

The exponential rise in data generation has led to vast, heterogeneous datasets crucial for predictive analytics and decision-making. Ensuring data quality and semantic integrity remains a challenge. This paper presents a brain-inspired…

Machine Learning · Computer Science 2025-03-06 Ashwin Viswanathan Kannan , Johnson P Thomas , Abhimanyu Mukerji
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