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We present a scalable approach for semi-supervised learning on graph-structured data that is based on an efficient variant of convolutional neural networks which operate directly on graphs. We motivate the choice of our convolutional…

Machine Learning · Computer Science 2017-02-23 Thomas N. Kipf , Max Welling

Many learning tasks, including learning potential energy surfaces from ab initio calculations, involve global spatial symmetries and permutational symmetry between atoms or general particles. Equivariant graph neural networks are a standard…

Machine Learning · Computer Science 2024-05-24 Zimu Li , Zihan Pengmei , Han Zheng , Erik Thiede , Junyu Liu , Risi Kondor

Data arrives at our senses as a continuous stream, smoothly transforming from one instant to the next. These smooth transformations can be viewed as continuous symmetries of the environment that we inhabit, defining equivalence relations…

Machine Learning · Computer Science 2025-12-02 T. Anderson Keller

Graph Neural Networks (GNNs) have attracted increasing attention in recent years and have achieved excellent performance in semi-supervised node classification tasks. The success of most GNNs relies on one fundamental assumption, i.e., the…

Machine Learning · Computer Science 2024-12-03 Junchao Lin , Yuan Wan , Jingwen Xu , Xingchen Qi

Neural Functional Networks (NFNs) have gained increasing interest due to their wide range of applications, including extracting information from implicit representations of data, editing network weights, and evaluating policies. A key…

Spectral Embedding (SE) has often been used to map data points from non-linear manifolds to linear subspaces for the purpose of classification and clustering. Despite significant advantages, the subspace structure of data in the original…

Computer Vision and Pattern Recognition · Computer Science 2023-05-16 Hira Yaseen , Arif Mahmood

Despite their widespread success in various domains, Transformer networks have yet to perform well across datasets in the domain of 3D atomistic graphs such as molecules even when 3D-related inductive biases like translational invariance…

Machine Learning · Computer Science 2023-03-01 Yi-Lun Liao , Tess Smidt

Computing latent representations for graph-structured data is an ubiquitous learning task in many industrial and academic applications ranging from molecule synthetization to social network analysis and recommender systems. Knowledge graphs…

Neural and Evolutionary Computing · Computer Science 2023-08-25 Victor Caceres Chian , Marcel Hildebrandt , Thomas Runkler , Dominik Dold

A cognitive map is an internal model which encodes the abstract relationships among entities in the world, giving humans and animals the flexibility to adapt to new situations, with a strong out-of-distribution (OOD) generalization that…

Machine Learning · Computer Science 2026-05-12 Victor Rambaud , Salvador Mascarenhas , Yair Lakretz

Neural functional networks (NFNs) have recently gained significant attention due to their diverse applications, ranging from predicting network generalization and network editing to classifying implicit neural representation. Previous NFN…

Machine Learning · Computer Science 2025-03-14 Viet-Hoang Tran , Thieu N. Vo , Tho H. Tran , An T. Nguyen , Tan M. Nguyen

We prove an impossibility result, which in the context of function learning says the following: under certain conditions, it is impossible to simultaneously learn symmetries and functions equivariant under them using an ansatz consisting of…

Machine Learning · Statistics 2022-10-19 Vasco Portilheiro

Dense prediction tasks typically employ encoder-decoder architectures, but the prevalent convolutions in the decoder are not image-adaptive and can lead to boundary artifacts. Different generalized convolution operations have been…

Computer Vision and Pattern Recognition · Computer Science 2019-09-10 Anne S. Wannenwetsch , Martin Kiefel , Peter V. Gehler , Stefan Roth

Graphs can model networked data by representing them as nodes and their pairwise relationships as edges. Recently, signal processing and neural networks have been extended to process and learn from data on graphs, with achievements in tasks…

Machine Learning · Computer Science 2021-10-07 Maosheng Yang , Elvin Isufi , Geert Leus

Recent deep learning models can efficiently combine inputs from different modalities (e.g., images and text) and learn to align their latent representations, or to translate signals from one domain to another (as in image captioning, or…

Artificial Intelligence · Computer Science 2025-11-27 Benjamin Devillers , Léopold Maytié , Rufin VanRullen

Getting deep convolutional neural networks to perform well requires a large amount of training data. When the available labelled data is small, it is often beneficial to use transfer learning to leverage a related larger dataset (source) in…

Machine Learning · Computer Science 2021-10-26 Lukas Hedegaard Morsing , Omar Ali Sheikh-Omar , Alexandros Iosifidis

The effectiveness of Convolutional Neural Networks (CNNs) has been substantially attributed to their built-in property of translation equivariance. However, CNNs do not have embedded mechanisms to handle other types of transformations. In…

Computer Vision and Pattern Recognition · Computer Science 2020-02-07 Ivan Sosnovik , Michał Szmaja , Arnold Smeulders

Equivariant neural networks have shown improved performance, expressiveness and sample complexity on symmetrical domains. But for some specific symmetries, representations, and choice of coordinates, the most common point-wise activations,…

Machine Learning · Computer Science 2024-01-18 Marco Pacini , Xiaowen Dong , Bruno Lepri , Gabriele Santin

The crucial role played by the underlying symmetries of high energy physics and lattice field theories calls for the implementation of such symmetries in the neural network architectures that are applied to the physical system under…

High Energy Physics - Lattice · Physics 2022-02-16 Srinath Bulusu , Matteo Favoni , Andreas Ipp , David I. Müller , Daniel Schuh

Due to the widespread use of complex machine learning models in real-world applications, it is becoming critical to explain model predictions. However, these models are typically black-box deep neural networks, explained post-hoc via…

Machine Learning · Computer Science 2022-10-20 Filip Radenovic , Abhimanyu Dubey , Dhruv Mahajan

In remote sensing images, the absolute orientation of objects is arbitrary. Depending on an object's orientation and on a sensor's flight path, objects of the same semantic class can be observed in different orientations in the same image.…

Computer Vision and Pattern Recognition · Computer Science 2018-03-19 Diego Marcos , Michele Volpi , Benjamin Kellenberger , Devis Tuia