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The interaction of neural networks with physical equations offers a wide range of applications. We provide a method which enables a neural network to transform objects subject to given physical constraints. Therefore an U-Net architecture…

Artificial Intelligence · Computer Science 2021-03-22 Lukas Harsch , Johannes Burgbacher , Stefan Riedelbauch

Machine learning is increasingly recognized as a promising technology in the biological, biomedical, and behavioral sciences. There can be no argument that this technique is incredibly successful in image recognition with immediate…

Neural operators are neural network-based surrogate models for approximating solution operators of parametric partial differential equations, enabling efficient many-query computations in science and engineering. Many applications,…

Numerical Analysis · Mathematics 2026-02-03 Mingyu Han , Daniel Zhengyu Huang , Yuhan Wang , Yanshu Zhang , Jiayi Zhou

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

In materials science, data are scarce and expensive to generate, whether computationally or experimentally. Therefore, it is crucial to identify how model performance scales with dataset size and model capacity to distinguish between data-…

Materials Science · Physics 2026-02-06 Max Großmann , Malte Grunert , Erich Runge

Recently, operator learning, or learning mappings between infinite-dimensional function spaces, has garnered significant attention, notably in relation to learning partial differential equations from data. Conceptually clear when outlined…

We present NeuralOperator, an open-source Python library for operator learning. Neural operators generalize neural networks to maps between function spaces instead of finite-dimensional Euclidean spaces. They can be trained and inferenced…

While many problems in machine learning focus on learning mappings between finite-dimensional spaces, scientific applications require approximating mappings between function spaces, i.e., operators. We study the problem of learning…

Machine Learning · Computer Science 2025-10-30 Adrien Weihs , Jingmin Sun , Zecheng Zhang , Hayden Schaeffer

Molecular dynamics (MD) is a powerful and popular tool for understanding the dynamical evolution of materials at the nano and mesoscopic scales. There are various flavors of MD ranging from the high fidelity albeit computationally expensive…

Computational Physics · Physics 2020-04-02 Rohit Batra , Subramanian Sankaranarayanan

Multiscale feature hierarchies have been witnessed the success in the computer vision area. This further motivates researchers to design multiscale Transformer for natural language processing, mostly based on the self-attention mechanism.…

Computation and Language · Computer Science 2022-06-22 Bei Li , Tong Zheng , Yi Jing , Chengbo Jiao , Tong Xiao , Jingbo Zhu

Deep learning (DL) has transformed applications in a variety of domains, including computer vision, natural language processing, and tabular data analysis. The search for improved DL model accuracy has led practitioners to explore…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-01-10 Kabir Nagrecha

Most uses of machine learning today involve training a model from scratch for a particular task, or sometimes starting with a model pretrained on a related task and then fine-tuning on a downstream task. Both approaches offer limited…

Machine Learning · Computer Science 2022-05-26 Andrea Gesmundo , Jeff Dean

The properties of constrained fluids have increasingly gained relevance for applications ranging from materials to biology. In this work, we propose a multiscale model using twin neural networks to investigate the properties of a fluid…

Chemical Physics · Physics 2024-08-07 Peiyuan Gao , George Em Karniadakis , Panos Stinis

Deep neural networks (DNNs) have shown remarkable performance improvements on vision-related tasks such as object detection or image segmentation. Despite their success, they generally lack the understanding of 3D objects which form the…

Computer Vision and Pattern Recognition · Computer Science 2020-08-03 Hiroharu Kato , Deniz Beker , Mihai Morariu , Takahiro Ando , Toru Matsuoka , Wadim Kehl , Adrien Gaidon

The field of neuroscience is facing an unprecedented expanse in the volume and diversity of available data. Traditionally, network models have provided key insights into the structure and function of the brain. With the advent of big data…

Neurons and Cognition · Quantitative Biology 2018-02-14 Michael Vaiana , Sarah Muldoon

Convolutional neural networks have become the main tools for processing two-dimensional data. They work well for images, yet convolutions have a limited receptive field that prevents its applications to more complex 2D tasks. We propose a…

Machine Learning · Computer Science 2020-10-06 Emīls Ozoliņš , Kārlis Freivalds , Agris Šostaks

The article presents several approaches to the blockmodeling of multilevel network data. Multilevel network data consist of networks that are measured on at least two levels (e.g. between organizations and people) and information on ties…

Methodology · Statistics 2014-05-26 Aleš Žiberna

Micromechanics-based granular models are widely used to predict the failure behavior of porous and particulate materials, including concrete, soils, foams, and biological tissues. Although these models offer considerable flexibility through…

Computational Physics · Physics 2026-04-22 Jinkyo Han , Payam Poorsolhjouy , Bahador Bahmani

The transformer is a neural network component that can be used to learn useful representations of sequences or sets of data-points. The transformer has driven recent advances in natural language processing, computer vision, and…

Machine Learning · Computer Science 2026-01-21 Richard E. Turner

We learn about the world from a diverse range of sensory information. Automated systems lack this ability as investigation has centred on processing information presented in a single form. Adapting architectures to learn from multiple…

Machine Learning · Computer Science 2020-10-27 Jason Armitage , Shramana Thakur , Rishi Tripathi , Jens Lehmann , Maria Maleshkova