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The expressivity of Graph Neural Networks (GNNs) has been studied broadly in recent years to reveal the design principles for more powerful GNNs. Graph canonization is known as a typical approach to distinguish non-isomorphic graphs, yet…

Machine Learning · Computer Science 2024-02-12 Zehao Dong , Muhan Zhang , Philip R. O. Payne , Michael A Province , Carlos Cruchaga , Tianyu Zhao , Fuhai Li , Yixin Chen

Artificial and biological agents cannon learn given completely random and unstructured data. The structure of data is encoded in the metric relationships between data points. In the context of neural networks, neuronal activity within a…

Machine Learning · Computer Science 2022-11-03 Kosio Beshkov , Jonas Verhellen , Mikkel Elle Lepperød

While a real-world research program in mathematics may be guided by a motivating question, the process of mathematical discovery is typically open-ended. Ideally, exploration needed to answer the original question will reveal new…

Machine Learning · Computer Science 2026-01-30 Henry Kvinge , Andrew Aguilar , Nayda Farnsworth , Grace O'Brien , Robert Jasper , Sarah Scullen , Helen Jenne

Deep learning for predicting the electronic-structure Hamiltonian of quantum systems necessitates satisfying the covariance laws, among which achieving SO(3)-equivariance without sacrificing the non-linear expressive capability of networks…

Computational Physics · Physics 2024-06-25 Shi Yin , Xinyang Pan , Xudong Zhu , Tianyu Gao , Haochong Zhang , Feng Wu , Lixin He

Group equivariant convolutional neural networks (G-CNNs) are generalizations of convolutional neural networks (CNNs) which excel in a wide range of technical applications by explicitly encoding symmetries, such as rotations and…

Machine Learning · Computer Science 2022-09-14 Hannah Lawrence , Kristian Georgiev , Andrew Dienes , Bobak T. Kiani

One of the key limitations of modern deep learning approaches lies in the amount of data required to train them. Humans, by contrast, can learn to recognize novel categories from just a few examples. Instrumental to this rapid learning…

Computer Vision and Pattern Recognition · Computer Science 2019-08-20 Pavel Tokmakov , Yu-Xiong Wang , Martial Hebert

Collaborative learning has successfully applied knowledge transfer to guide a pool of small student networks towards robust local minima. However, previous approaches typically struggle with drastically aggravated student homogenization…

Machine Learning · Computer Science 2021-02-23 Shaoxiong Feng , Hongshen Chen , Xuancheng Ren , Zhuoye Ding , Kan Li , Xu Sun

Neural networks have succeeded in many reasoning tasks. Empirically, these tasks require specialized network structures, e.g., Graph Neural Networks (GNNs) perform well on many such tasks, but less structured networks fail. Theoretically,…

Machine Learning · Computer Science 2020-02-18 Keyulu Xu , Jingling Li , Mozhi Zhang , Simon S. Du , Ken-ichi Kawarabayashi , Stefanie Jegelka

Despite the successes of deep learning in computer vision, difficulties persist in recognizing objects that have undergone group-symmetric transformations rarely seen during training$\unicode{x2013}$for example objects seen in unusual…

Computer Vision and Pattern Recognition · Computer Science 2026-03-11 Minh Dinh , Stéphane Deny

Seminal works on graph neural networks have primarily targeted semi-supervised node classification problems with few observed labels and high-dimensional signals. With the development of graph networks, this setup has become a de facto…

Social and Information Networks · Computer Science 2020-02-11 Clément Vignac , Guillermo Ortiz-Jiménez , Pascal Frossard

In machine learning datasets with symmetries, the paradigm for backward compatibility with symmetry-breaking has been to relax equivariant architectural constraints, engineering extra weights to differentiate symmetries of interest.…

Machine Learning · Computer Science 2024-10-08 Haozhe Huang , Leo Kaixuan Cheng , Kaiwen Chen , Alán Aspuru-Guzik

We present a novel compact point cloud representation that is inherently invariant to scale, coordinate change and point permutation. The key idea is to parametrize a distance field around an individual shape into a unique, canonical, and…

Computer Vision and Pattern Recognition · Computer Science 2018-09-14 Kent Fujiwara , Ikuro Sato , Mitsuru Ambai , Yuichi Yoshida , Yoshiaki Sakakura

Cortical minicolumns are considered a model of cortical organization. Their function is still a source of research and not reflected properly in modern architecture of nets in algorithms of Artificial Intelligence. We assume its function…

Computer Vision and Pattern Recognition · Computer Science 2017-12-19 Vasily Morzhakov , Alexey Redozubov

We argue that reducing nonlinear programming problems to a simple canonical form is an effective way to analyze them, specially when the problem is degenerate and the usual linear independence hypothesis does not hold. To illustrate this…

Optimization and Control · Mathematics 2018-04-02 Walter F. Mascarenhas

Group equivariant neural networks have been explored in the past few years and are interesting from theoretical and practical standpoints. They leverage concepts from group representation theory, non-commutative harmonic analysis and…

Machine Learning · Computer Science 2020-05-01 Carlos Esteves

In Reinforcement Learning (RL), Convolutional Neural Networks(CNNs) have been successfully applied as function approximators in Deep Q-Learning algorithms, which seek to learn action-value functions and policies in various environments.…

Machine Learning · Computer Science 2020-07-08 Arnab Kumar Mondal , Pratheeksha Nair , Kaleem Siddiqi

The universal approximation theorem establishes that neural networks can approximate any continuous function on a compact set. Later works in approximation theory provide quantitative approximation rates for ReLU networks on the class of…

Machine Learning · Computer Science 2026-04-17 Jonathan W. Siegel , Snir Hordan , Hannah Lawrence , Ali Syed , Nadav Dym

Continual learning of deep neural networks is a key requirement for scaling them up to more complex applicative scenarios and for achieving real lifelong learning of these architectures. Previous approaches to the problem have considered…

Machine Learning · Computer Science 2020-06-25 Jary Pomponi , Simone Scardapane , Vincenzo Lomonaco , Aurelio Uncini

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

Bayesian neural networks (BNNs) augment deep networks with uncertainty quantification by Bayesian treatment of the network weights. However, such models face the challenge of Bayesian inference in a high-dimensional and usually…

Machine Learning · Computer Science 2021-03-30 Zhijie Deng , Yucen Luo , Jun Zhu , Bo Zhang