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We propose a message passing neural network architecture designed to be equivariant to column and row permutations of a matrix. We illustrate its advantages over traditional architectures like multi-layer perceptrons (MLPs), convolutional…

Machine Learning · Computer Science 2022-02-01 Augusto Peres , Eduardo Dias , Luís Sarmento , Hugo Penedones

In this work we apply deep neural networks to find the non-equilibrium steady state solution to correlated open quantum many-body systems. Motivated by the ongoing search to find more powerful representations of (mixed) quantum states, we…

Quantum Physics · Physics 2025-01-13 Johannes Mellak , Enrico Arrigoni , Wolfgang von der Linden

Recent research efforts in optical computing have gravitated towards developing optical neural networks that aim to benefit from the processing speed and parallelism of optics/photonics in machine learning applications. Among these…

Optics · Physics 2020-12-25 Deniz Mengu , Yair Rivenson , Aydogan Ozcan

Vision Transformer (ViT) has achieved remarkable performance in computer vision. However, positional encoding in ViT makes it substantially difficult to learn the intrinsic equivariance in data. Initial attempts have been made on designing…

Computer Vision and Pattern Recognition · Computer Science 2023-07-10 Renjun Xu , Kaifan Yang , Ke Liu , Fengxiang He

We develop a weak adversarial approach to solving obstacle problems using neural networks. By employing (generalised) regularised gap functions and their properties we rewrite the obstacle problem (which is an elliptic variational…

Optimization and Control · Mathematics 2024-11-28 Amal Alphonse , Michael Hintermüller , Alexander Kister , Chin Hang Lun , Clemens Sirotenko

Equivariant and invariant deep learning models have been developed to exploit intrinsic symmetries in data, demonstrating significant effectiveness in certain scenarios. However, these methods often suffer from limited representation…

Computer Vision and Pattern Recognition · Computer Science 2025-05-27 Yulu Bai , Jiahong Fu , Qi Xie , Deyu Meng

Mapping an atomistic configuration to an $N$-point correlation of a field associated with the atomic positions (e.g. an atomic density) has emerged as an elegant and effective solution to represent structures as the input of…

Chemical Physics · Physics 2020-10-07 Jigyasa Nigam , Sergey Pozdnyakov , Michele Ceriotti

Current generative models, such as autoregressive and diffusion approaches, decompose high-dimensional data distribution learning into a series of simpler subtasks. However, inherent conflicts arise during the joint optimization of these…

Computer Vision and Pattern Recognition · Computer Science 2025-03-25 Ruixiao Dong , Mengde Xu , Zigang Geng , Li Li , Han Hu , Shuyang Gu

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

We survey the mathematical foundations of geometric deep learning, focusing on group equivariant and gauge equivariant neural networks. We develop gauge equivariant convolutional neural networks on arbitrary manifolds $\mathcal{M}$ using…

Equivariance guarantees that a model's predictions capture key symmetries in data. When an image is translated or rotated, an equivariant model's representation of that image will translate or rotate accordingly. The success of…

Machine Learning · Computer Science 2024-06-19 Nate Gruver , Marc Finzi , Micah Goldblum , Andrew Gordon Wilson

We present the group equivariant conditional neural process (EquivCNP), a meta-learning method with permutation invariance in a data set as in conventional conditional neural processes (CNPs), and it also has transformation equivariance in…

Machine Learning · Computer Science 2021-02-18 Makoto Kawano , Wataru Kumagai , Akiyoshi Sannai , Yusuke Iwasawa , Yutaka Matsuo

Pre-trained deep image representations are useful for post-training tasks such as classification through transfer learning, image retrieval, and object detection. Data augmentations are a crucial aspect of pre-training robust…

Computer Vision and Pattern Recognition · Computer Science 2023-02-23 Sangnie Bhardwaj , Willie McClinton , Tongzhou Wang , Guillaume Lajoie , Chen Sun , Phillip Isola , Dilip Krishnan

Operator learning offers a robust framework for approximating mappings between infinite-dimensional function spaces. It has also become a powerful tool for solving inverse problems in the computational sciences. This chapter surveys…

Numerical Analysis · Mathematics 2025-12-08 Nicholas H. Nelsen , Yunan Yang

The convolutional layers of standard convolutional neural networks (CNNs) are equivariant to translation. However, the convolution and fully-connected layers are not equivariant or invariant to other affine geometric transformations.…

Computer Vision and Pattern Recognition · Computer Science 2022-09-23 Jaspreet Singh , Chandan Singh

Recent research has demonstrated that transformers, particularly linear attention models, implicitly execute gradient-descent-like algorithms on data provided in-context during their forward inference step. However, their capability in…

Machine Learning · Computer Science 2024-10-31 Max Vladymyrov , Johannes von Oswald , Mark Sandler , Rong Ge

The convolution operator is the fundamental building block of modern convolutional neural networks (CNNs), owing to its simplicity, translational equivariance, and efficient implementation. However, its structure as a fixed, linear,…

Computer Vision and Pattern Recognition · Computer Science 2026-03-16 Simone Cammarasana

Learning rotation-invariant distinctive features is a fundamental requirement for point cloud registration. Existing methods often use rotation-sensitive networks to extract features, while employing rotation augmentation to learn an…

Computer Vision and Pattern Recognition · Computer Science 2024-11-01 Runzhao Yao , Shaoyi Du , Wenting Cui , Canhui Tang , Chengwu Yang

Automatic tumor or lesion segmentation is a crucial step in medical image analysis for computer-aided diagnosis. Although the existing methods based on Convolutional Neural Networks (CNNs) have achieved the state-of-the-art performance,…

Image and Video Processing · Electrical Eng. & Systems 2022-08-01 Shuchao Pang , Anan Du , Mehmet A. Orgun , Yan Wang , Quan Z. Sheng , Shoujin Wang , Xiaoshui Huang , Zhenmei Yu

Neural networks (NNs) struggle to efficiently solve certain problems, such as learning parities, even when there are simple learning algorithms for those problems. Can NNs discover learning algorithms on their own? We exhibit a NN…

Machine Learning · Computer Science 2023-01-18 Surbhi Goel , Sham Kakade , Adam Tauman Kalai , Cyril Zhang
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