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We present e3nn, a generalized framework for creating E(3) equivariant trainable functions, also known as Euclidean neural networks. e3nn naturally operates on geometry and geometric tensors that describe systems in 3D and transform…

Machine Learning · Computer Science 2022-07-21 Mario Geiger , Tess Smidt

The notion of an Evolutional Deep Neural Network (EDNN) is introduced for the solution of partial differential equations (PDE). The parameters of the network are trained to represent the initial state of the system only, and are…

Computational Physics · Physics 2021-10-13 Yifan Du , Tamer A. Zaki

In many machine learning tasks it is desirable that a model's prediction transforms in an equivariant way under transformations of its input. Convolutional neural networks (CNNs) implement translational equivariance by construction; for…

Machine Learning · Computer Science 2018-03-20 Maurice Weiler , Fred A. Hamprecht , Martin Storath

The understanding of the dynamics of the velocity gradients in turbulent flows is critical to understanding various non-linear turbulent processes. The pressure-Hessian and the viscous-Laplacian govern the evolution of the…

Machine Learning · Computer Science 2019-11-20 Nishant Parashar , Sawan S. Sinha , Balaji Srinivasan

Neural operators have recently become popular tools for designing solution maps between function spaces in the form of neural networks. Differently from classical scientific machine learning approaches that learn parameters of a known…

Machine Learning · Computer Science 2022-09-07 Huaiqian You , Yue Yu , Marta D'Elia , Tian Gao , Stewart Silling

In many computer vision tasks, we expect a particular behavior of the output with respect to rotations of the input image. If this relationship is explicitly encoded, instead of treated as any other variation, the complexity of the problem…

Computer Vision and Pattern Recognition · Computer Science 2018-07-06 Diego Marcos , Michele Volpi , Nikos Komodakis , Devis Tuia

This paper proposes a set of rules to revise various neural networks for 3D point cloud processing to rotation-equivariant quaternion neural networks (REQNNs). We find that when a neural network uses quaternion features under certain…

Computer Vision and Pattern Recognition · Computer Science 2020-10-13 Wen Shen , Binbin Zhang , Shikun Huang , Zhihua Wei , Quanshi Zhang

This paper introduces a new model to learn graph neural networks equivariant to rotations, translations, reflections and permutations called E(n)-Equivariant Graph Neural Networks (EGNNs). In contrast with existing methods, our work does…

Machine Learning · Computer Science 2022-02-17 Victor Garcia Satorras , Emiel Hoogeboom , Max Welling

The formulation of rheological constitutive equations -- models that relate internal stresses and deformations in complex fluids -- is a critical step in the engineering of systems involving soft materials. While data-driven models provide…

Soft Condensed Matter · Physics 2022-10-11 Kyle R. Lennon , Gareth H. McKinley , James W. Swan

Equivariant quantum neural networks (QNNs) are promising variational models that exploit symmetries to improve machine learning capabilities. Despite theoretical developments in equivariant QNNs, their implementation on near-term quantum…

Quantum Physics · Physics 2026-04-20 Koki Chinzei , Quoc Hoan Tran , Yasuhiro Endo , Hirotaka Oshima

We introduce Equivariant Neural Eikonal Solvers, a novel framework that integrates Equivariant Neural Fields (ENFs) with Neural Eikonal Solvers. Our approach employs a single neural field where a unified shared backbone is conditioned on…

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

Modeling the full-range deformation behaviors of materials under complex loading and materials conditions is a significant challenge for constitutive relations (CRs) modeling. We propose a general encoder-decoder deep learning framework…

Materials Science · Physics 2023-04-04 Qing-Jie Li , Mahmut Nedim Cinbiz , Yin Zhang , Qi He , Geoffrey Beausoleil , Ju Li

The spatiotemporal dynamics of turbulent flows is chaotic and difficult to predict. This makes the design of accurate and stable reduced-order models challenging. The overarching objective of this paper is to propose a nonlinear…

Fluid Dynamics · Physics 2022-11-23 Alberto Racca , Nguyen Anh Khoa Doan , Luca Magri

This work presents a novel Evolutionary Quantum Neural Network (EQNN) based workload prediction model for Cloud datacenter. It exploits the computational efficiency of quantum computing by encoding workload information into qubits and…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-11-29 Ashutosh Kumar Singh , Deepika Saxena , Jitendra Kumar , Vrinda Gupta

We present a new class of equivariant neural networks, hereby dubbed Lattice-Equivariant Neural Networks (LENNs), designed to satisfy local symmetries of a lattice structure. Our approach develops within a recently introduced framework…

Computational Physics · Physics 2025-04-30 Giulio Ortali , Alessandro Gabbana , Imre Atmodimedjo , Alessandro Corbetta

Time series prediction is essential for human activities in diverse areas. A common approach to this task is to harness Recurrent Neural Networks (RNNs). However, while their predictions are quite accurate, their learning process is complex…

Quantum Physics · Physics 2025-05-30 Michał Siemaszko , Adam Buraczewski , Bertrand Le Saux , Magdalena Stobińska

Equivariant Graph Neural Networks (EGNNs) have demonstrated significant success in modeling microscale systems, including those in chemistry, biology and materials science. However, EGNNs face substantial computational challenges due to the…

Machine Learning · Computer Science 2025-11-04 Yunyang Li , Lin Huang , Zhihao Ding , Chu Wang , Xinran Wei , Han Yang , Zun Wang , Chang Liu , Yu Shi , Peiran Jin , Tao Qin , Mark Gerstein , Jia Zhang

Message-passing neural networks (MPNN) have shown extremely high efficiency and accuracy in predicting the physical properties of molecules and crystals, and are expected to become the next-generation material simulation tool after the…

Materials Science · Physics 2022-01-19 Yang Zhong , Hongyu Yu , Xingao Gong , Hongjun Xiang

The difficult problem of relating the static structure of glassy liquids and their dynamics is a good target for Machine Learning, an approach which excels at finding complex patterns hidden in data. Indeed, this approach is currently a hot…

Soft Condensed Matter · Physics 2024-05-29 Francesco Saverio Pezzicoli , Guillaume Charpiat , François P. Landes