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Deep Neural Networks (DNNs) have become very popular for prediction in many areas. Their strength is in representation with a high number of parameters that are commonly learned via gradient descent or similar optimization methods. However,…

Machine Learning · Statistics 2016-10-11 Anthony Caterini , Dong Eui Chang

Neural networks (NNs) achieve outstanding performance in many domains; however, their decision processes are often opaque and their inference can be computationally expensive in resource-constrained environments. We recently proposed…

Machine Learning · Computer Science 2025-05-30 Chang Yue , Niraj K. Jha

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

Incorporating group symmetries via equivariance into neural networks has emerged as a robust approach for overcoming the efficiency and data demands of modern deep learning. While most existing approaches, such as group convolutions and…

We study the problem of learning equivariant neural networks via gradient descent. The incorporation of known symmetries ("equivariance") into neural nets has empirically improved the performance of learning pipelines, in domains ranging…

Machine Learning · Computer Science 2024-01-04 Bobak T. Kiani , Thien Le , Hannah Lawrence , Stefanie Jegelka , Melanie Weber

We study the family of functions that are represented by a linear convolutional neural network (LCN). These functions form a semi-algebraic subset of the set of linear maps from input space to output space. In contrast, the families of…

Machine Learning · Computer Science 2022-06-09 Kathlén Kohn , Thomas Merkh , Guido Montúfar , Matthew Trager

A long-standing goal in deep learning has been to characterize the learning behavior of black-box models in a more interpretable manner. For graph neural networks (GNNs), considerable advances have been made in formalizing what functions…

Machine Learning · Computer Science 2024-06-19 Chenxiao Yang , Qitian Wu , David Wipf , Ruoyu Sun , Junchi Yan

Exploiting symmetries and invariance in data is a powerful, yet not fully exploited, way to achieve better generalisation with more efficiency. In this paper, we introduce two graph network architectures that are equivariant to several…

Machine Learning · Computer Science 2021-06-01 Francesco Farina , Emma Slade

Equivariant neural networks have proven to be effective for tasks with known underlying symmetries. However, optimizing equivariant networks can be tricky and best training practices are less established than for standard networks. In…

Machine Learning · Computer Science 2025-11-04 YuQing Xie , Tess Smidt

Steerable convolutional neural networks (CNNs) provide a general framework for building neural networks equivariant to translations and transformations of an origin-preserving group $G$, such as reflections and rotations. They rely on…

Machine Learning · Computer Science 2023-10-30 Maksim Zhdanov , Nico Hoffmann , Gabriele Cesa

Many data symmetries can be described in terms of group equivariance and the most common way of encoding group equivariances in neural networks is by building linear layers that are group equivariant. In this work we investigate whether…

Machine Learning · Computer Science 2023-12-11 Georg Bökman , Fredrik Kahl

Supervised learning with deep models has tremendous potential for applications in materials science. Recently, graph neural networks have been used in this context, drawing direct inspiration from models for molecules. However, materials…

Materials Science · Physics 2023-01-18 Sékou-Oumar Kaba , Siamak Ravanbakhsh

State-of-the-art deep learning systems often require large amounts of data and computation. For this reason, leveraging known or unknown structure of the data is paramount. Convolutional neural networks (CNNs) are successful examples of…

Computer Vision and Pattern Recognition · Computer Science 2020-12-07 Carlos Esteves

We propose a new algorithm to learn a one-hidden-layer convolutional neural network where both the convolutional weights and the outputs weights are parameters to be learned. Our algorithm works for a general class of (potentially…

Machine Learning · Computer Science 2018-06-05 Simon S. Du , Surbhi Goel

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

This paper presents a novel framework for non-linear equivariant neural network layers on homogeneous spaces. The seminal work of Cohen et al. on equivariant $G$-CNNs on homogeneous spaces characterized the representation theory of such…

Machine Learning · Computer Science 2025-04-30 Elias Nyholm , Oscar Carlsson , Maurice Weiler , Daniel Persson

Lagrangian and Hamiltonian neural networks (LNNs and HNNs, respectively) encode strong inductive biases that allow them to outperform other models of physical systems significantly. However, these models have, thus far, mostly been limited…

Machine Learning · Computer Science 2022-11-14 Ravinder Bhattoo , Sayan Ranu , N. M. Anoop Krishnan

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

Neural Tensor Networks (NTNs), which are structured to encode the degree of relationship among pairs of entities, are used in Logic Tensor Networks (LTNs) to facilitate Statistical Relational Learning (SRL) in first-order logic. In this…

Machine Learning · Computer Science 2020-10-07 Jinyung Hong , Theodore P. Pavlic

Learning to optimize is a rapidly growing area that aims to solve optimization problems or improve existing optimization algorithms using machine learning (ML). In particular, the graph neural network (GNN) is considered a suitable ML model…

Machine Learning · Computer Science 2023-05-29 Ziang Chen , Jialin Liu , Xinshang Wang , Jianfeng Lu , Wotao Yin
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