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Designing machine learning architectures for processing neural networks in their raw weight matrix form is a newly introduced research direction. Unfortunately, the unique symmetry structure of deep weight spaces makes this design very…

Machine Learning · Computer Science 2023-06-02 Aviv Navon , Aviv Shamsian , Idan Achituve , Ethan Fetaya , Gal Chechik , Haggai Maron

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

Representing and reasoning about 3D structures of macromolecules is emerging as a distinct challenge in machine learning. Here, we extend recent work on geometric vector perceptrons and apply equivariant graph neural networks to a wide…

Machine Learning · Computer Science 2021-07-14 Bowen Jing , Stephan Eismann , Pratham N. Soni , Ron O. Dror

Neural networks that process the parameters of other neural networks find applications in domains as diverse as classifying implicit neural representations, generating neural network weights, and predicting generalization errors. However,…

In recent years, deep learning techniques have shown great success in various tasks related to inverse problems, where a target quantity of interest can only be observed through indirect measurements by a forward operator. Common approaches…

Numerical Analysis · Mathematics 2024-03-18 Matthias Beckmann , Nick Heilenkötter

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

Many scientific and geometric problems exhibit general linear symmetries, yet most equivariant neural networks are built for compact groups or simple vector features, limiting their reuse on matrix-valued data such as covariances, inertias,…

Machine Learning · Computer Science 2026-02-02 Chankyo Kim , Sicheng Zhao , Minghan Zhu , Tzu-Yuan Lin , Maani Ghaffari

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

Deep neural networks have reshaped modern machine learning by learning powerful latent representations that often align with the manifold hypothesis: high-dimensional data lie on lower-dimensional manifolds. In this paper, we establish a…

Machine Learning · Computer Science 2025-06-09 Nico Pelleriti , Max Zimmer , Elias Wirth , Sebastian Pokutta

Traditional neural networks (multi-layer perceptrons) have become an important tool in data science due to their success across a wide range of tasks. However, their performance is sometimes unsatisfactory, and they often require a large…

Machine Learning · Statistics 2024-12-09 Gyu Min Kim , Jeong Min Jeon

Modern Machine Learning (ML) and Deep Neural Networks (DNNs) often operate on high-dimensional data and rely on overparameterized models, where classical low-dimensional intuitions break down. In particular, the proportional regime where…

Machine Learning · Statistics 2026-04-17 Zhenyu Liao , Michael W. Mahoney

In this paper, we propose a deep convolutional neural network for learning the embeddings of images in order to capture the notion of visual similarity. We present a deep siamese architecture that when trained on positive and negative pairs…

Computer Vision and Pattern Recognition · Computer Science 2019-01-14 Rishab Sharma , Anirudha Vishvakarma

Many problems in computer vision and machine learning can be cast as learning on hypergraphs that represent higher-order relations. Recent approaches for hypergraph learning extend graph neural networks based on message passing, which is…

Machine Learning · Computer Science 2022-08-23 Jinwoo Kim , Saeyoon Oh , Sungjun Cho , Seunghoon Hong

We describe the class of convexified convolutional neural networks (CCNNs), which capture the parameter sharing of convolutional neural networks in a convex manner. By representing the nonlinear convolutional filters as vectors in a…

Machine Learning · Computer Science 2016-09-06 Yuchen Zhang , Percy Liang , Martin J. Wainwright

In this paper, we propose a novel Hadamard Transform (HT)-based neural network layer for hybrid quantum-classical computing. It implements the regular convolutional layers in the Hadamard transform domain. The idea is based on the HT…

Computer Vision and Pattern Recognition · Computer Science 2024-02-26 Hongyi Pan , Xin Zhu , Salih Atici , Ahmet Enis Cetin

Deep reinforcement learning agents progressively lose representational capacity during training: neurons become dormant, removing active capacity from the network, and effective rank collapses, leaving surviving neurons redundant. Existing…

Machine Learning · Computer Science 2026-05-26 Jacob E. Kooi , Zhao Yang , Mark Hoogendoorn , Vincent François-Lavet

Triangular meshes are widely used to represent three-dimensional objects. As a result, many recent works have address the need for geometric deep learning on 3D mesh. However, we observe that the complexities in many of these architectures…

Machine Learning · Computer Science 2024-02-20 Thuan Trang , Nhat Khang Ngo , Daniel Levy , Thieu N. Vo , Siamak Ravanbakhsh , Truong Son Hy

This paper introduces MDP homomorphic networks for deep reinforcement learning. MDP homomorphic networks are neural networks that are equivariant under symmetries in the joint state-action space of an MDP. Current approaches to deep…

Machine Learning · Computer Science 2021-01-21 Elise van der Pol , Daniel E. Worrall , Herke van Hoof , Frans A. Oliehoek , Max Welling

Previous work on symmetric group equivariant neural networks generally only considered the case where the group acts by permuting the elements of a single vector. In this paper we derive formulae for general permutation equivariant layers,…

Machine Learning · Computer Science 2020-04-09 Erik Henning Thiede , Truong Son Hy , Risi Kondor

Convolutional networks are successful, but they have recently been outperformed by new neural networks that are equivariant under rotations and translations. These new networks work better because they do not struggle with learning each…

Computer Vision and Pattern Recognition · Computer Science 2021-02-16 Philip Müller , Vladimir Golkov , Valentina Tomassini , Daniel Cremers
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