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Quantum Neural Networks (QNNs) are suggested as one of the quantum algorithms which can be efficiently simulated with a low depth on near-term quantum hardware in the presence of noises. However, their performance highly relies on choosing…

Quantum Physics · Physics 2024-03-14 Su Yeon Chang , Michele Grossi , Bertrand Le Saux , Sofia Vallecorsa

In the present work, neural networks are applied to formulate parametrised hyperelastic constitutive models. The models fulfill all common mechanical conditions of hyperelasticity by construction. In particular, partially input-convex…

Computational Engineering, Finance, and Science · Computer Science 2023-07-10 Dominik K. Klein , Fabian J. Roth , Iman Valizadeh , Oliver Weeger

Learning and reasoning about 3D molecular structures with varying size is an emerging and important challenge in machine learning and especially in drug discovery. Equivariant Graph Neural Networks (GNNs) can simultaneously leverage the…

Machine Learning · Computer Science 2022-03-03 Tuan Le , Frank Noé , Djork-Arné Clevert

For a long time, designing neural architectures that exhibit high performance was considered a dark art that required expert hand-tuning. One of the few well-known guidelines for architecture design is the avoidance of exploding gradients,…

Machine Learning · Computer Science 2021-06-10 George Philipp , Jaime G. Carbonell

Symmetries and equivariance are fundamental to the generalization of neural networks on domains such as images, graphs, and point clouds. Existing work has primarily focused on a small number of groups, such as the translation, rotation,…

Machine Learning · Computer Science 2021-04-20 Marc Finzi , Max Welling , Andrew Gordon Wilson

Kolmogorov-Arnold Networks (KANs) have recently emerged as a compelling alternative to multilayer perceptrons, offering enhanced interpretability via functional decomposition. However, existing KAN architectures, including spline-,…

Machine Learning · Computer Science 2026-02-19 Sidharth S. Menon , Ameya D. Jagtap

This paper introduces E(n) Equivariant Message Passing Cellular Networks (EMPCNs), an extension of E(n) Equivariant Graph Neural Networks to CW-complexes. Our approach addresses two aspects of geometric message passing networks: 1)…

Machine Learning · Computer Science 2024-07-19 Veljko Kovač , Erik J. Bekkers , Pietro Liò , Floor Eijkelboom

Neural networks that are equivariant to rotations, translations, reflections, and permutations on n-dimensional geometric space have shown promise in physical modeling for tasks such as accurately but inexpensively modeling complex…

Machine Learning · Computer Science 2023-01-25 Yuanqing Wang , John D. Chodera

In this paper, we present MLEANN (Meta-Learning Evolutionary Artificial Neural Network), an automatic computational framework for the adaptive optimization of artificial neural networks wherein the neural network architecture, activation…

Artificial Intelligence · Computer Science 2007-05-23 Ajith Abraham

Physics-informed neural networks (PINN) is a machine learning (ML)-based method to solve partial differential equations that has gained great popularity due to the fast development of ML libraries in the last few years. The…

Chemical Physics · Physics 2024-12-31 Martin A. Achondo , Jehanzeb H. Chaudhry , Christopher D. Cooper

Hypergraph Convolutional Neural Networks (HGCNNs) have demonstrated their potential in modeling high-order relations preserved in graph-structured data. However, most existing convolution filters are localized and determined by the…

Machine Learning · Computer Science 2022-04-15 Jiying Zhang , Yuzhao Chen , Xi Xiao , Runiu Lu , Shu-Tao Xia

Training a Convolutional Neural Network (CNN) to be robust against rotation has mostly been done with data augmentation. In this paper, another progressive vision of research direction is highlighted to encourage less dependence on data…

Computer Vision and Pattern Recognition · Computer Science 2021-10-22 Sungwon Hwang , Hyungtae Lim , Hyun Myung

At present, designing convolutional neural network (CNN) architectures requires both human expertise and labor. New architectures are handcrafted by careful experimentation or modified from a handful of existing networks. We introduce…

Machine Learning · Computer Science 2017-03-24 Bowen Baker , Otkrist Gupta , Nikhil Naik , Ramesh Raskar

Physics-informed neural networks (PiNNs) recently emerged as a powerful solver for a large class of partial differential equations under various initial and boundary conditions. In this paper, we propose trapz-PiNNs, physics-informed neural…

Computational Physics · Physics 2023-04-19 Senbao Jiang , Xiaofan Li

Inverse problems are extensively studied in applied mathematics, with applications ranging from acoustic tomography for medical diagnosis to geophysical exploration. Physics informed neural networks (PINNs) have emerged as a powerful tool…

The ability to design complex neural network architectures which enable effective training by stochastic gradient descent has been the key for many achievements in the field of deep learning. However, developing such architectures remains a…

Neural and Evolutionary Computing · Computer Science 2019-07-04 Marcus Märtens , Dario Izzo

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 framework based on physics-informed neural networks (PINNs) for addressing key challenges in nonlinear lattices, including solution approximation, bifurcation diagram construction, and linear stability analysis. We…

Numerical Analysis · Mathematics 2025-07-22 Muhammad Luthfi Shahab , Fidya Almira Suheri , Rudy Kusdiantara , Hadi Susanto

A sophisticated hybrid quantum convolutional neural network (HQCNN) is conceived for handling the pilot assignment task in cell-free massive MIMO systems, while maximizing the total ergodic sum throughput. The existing model-based solutions…

Information Theory · Computer Science 2025-07-10 Doan Hieu Nguyen , Xuan Tung Nguyen , Seon-Geun Jeong , Trinh Van Chien , Lajos Hanzo , Won Joo Hwang

Molecular interactions often involve high-order relationships that cannot be fully captured by traditional graph-based models limited to pairwise connections. Hypergraphs naturally extend graphs by enabling multi-way interactions, making…

Machine Learning · Computer Science 2025-05-12 Tien Dang , Truong-Son Hy
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