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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

Clifford Group Equivariant Neural Networks (CGENNs) leverage Clifford algebras and multivectors as an alternative approach to incorporating group equivariance to ensure symmetry constraints in neural representations. In principle, this…

Machine Learning · Computer Science 2025-06-11 Riccardo Ali , Paulina Kulytė , Haitz Sáez de Ocáriz Borde , Pietro Liò

Equivariant neural networks, whose hidden features transform according to representations of a group G acting on the data, exhibit training efficiency and an improved generalisation performance. In this work, we extend group invariant and…

Machine Learning · Computer Science 2024-04-15 Robin Winter , Marco Bertolini , Tuan Le , Frank Noé , Djork-Arné Clevert

Equivariant neural networks are a class of neural networks designed to preserve symmetries inherent in the data. In this paper, we introduce a general method for modifying a neural network to enforce equivariance, a process we refer to as…

Machine Learning · Computer Science 2025-11-19 Erkao Bao , Jingcheng Lu , Linqi Song , Nathan Hart-Hodgson , William Parson , Yanheng Zhou

How do neural networks trained over sequences acquire the ability to perform structured operations, such as arithmetic, geometric, and algorithmic computation? To gain insight into this question, we introduce the sequential group…

Machine Learning · Computer Science 2026-02-04 Giovanni Luca Marchetti , Daniel Kunin , Adele Myers , Francisco Acosta , Nina Miolane

Deep neural networks come in many sizes and architectures. The choice of architecture, in conjunction with the dataset and learning algorithm, is commonly understood to affect the learned neural representations. Yet, recent results have…

Machine Learning · Computer Science 2024-07-08 Loek van Rossem , Andrew M. Saxe

We explore the role of group symmetries in binary classification tasks, presenting a novel framework that leverages the principles of Neyman-Pearson optimality. Contrary to the common intuition that larger symmetry groups lead to improved…

Machine Learning · Computer Science 2024-08-19 Vishal S. Ngairangbam , Michael Spannowsky

The difficult problem of relating the static structure of glassy liquids and their dynamics is a good target for Machine Learning, an approach which excels at finding complex patterns hidden in data. Indeed, this approach is currently a hot…

Soft Condensed Matter · Physics 2024-05-29 Francesco Saverio Pezzicoli , Guillaume Charpiat , François P. Landes

Graph neural networks (GNNs) are a powerful tool to learn representations on graphs by iteratively aggregating features from node neighbourhoods. Many variant models have been proposed, but there is limited understanding on both how to…

Machine Learning · Computer Science 2019-11-14 Michael Lingzhi Li , Meng Dong , Jiawei Zhou , Alexander M. Rush

Group equivariant neural networks are growing in importance owing to their ability to generalise well in applications where the data has known underlying symmetries. Recent characterisations of a class of these networks that use high-order…

Machine Learning · Computer Science 2024-12-17 Edward Pearce-Crump , William J. Knottenbelt

Equivariant neural networks require explicit knowledge of the symmetry group. Automatic symmetry discovery methods aim to relax this constraint and learn invariance and equivariance from data. However, existing symmetry discovery methods…

Machine Learning · Computer Science 2024-08-14 Jianke Yang , Nima Dehmamy , Robin Walters , Rose Yu

Linear networks provide valuable insights into the workings of neural networks in general. This paper identifies conditions under which the gradient flow provably trains a linear network, in spite of the non-strict saddle points present in…

Optimization and Control · Mathematics 2020-06-30 Armin Eftekhari

Graph Neural Nets (GNNs) have received increasing attentions, partially due to their superior performance in many node and graph classification tasks. However, there is a lack of understanding on what they are learning and how sophisticated…

Machine Learning · Computer Science 2020-06-11 Ting Chen , Song Bian , Yizhou Sun

The translation equivariance of convolutional layers enables convolutional neural networks to generalize well on image problems. While translation equivariance provides a powerful inductive bias for images, we often additionally desire…

Machine Learning · Statistics 2020-09-25 Marc Finzi , Samuel Stanton , Pavel Izmailov , Andrew Gordon Wilson

We review a novel neural network architecture called lattice gauge equivariant convolutional neural networks (L-CNNs), which can be applied to generic machine learning problems in lattice gauge theory while exactly preserving gauge…

High Energy Physics - Lattice · Physics 2021-11-09 Matteo Favoni , Andreas Ipp , David I. Müller , Daniel Schuh

What has an Artificial Neural Network (ANN) learned after being successfully trained to solve a task - the set of training items or the relations between them? This question is difficult to answer for modern applied ANNs because of their…

Machine Learning · Computer Science 2024-04-22 Renate Krause , Stefan Reimann

Probabilistic graphical models are traditionally known for their successes in generative modeling. In this work, we advocate layered graphical models (LGMs) for probabilistic discriminative learning. To this end, we design LGMs in close…

Machine Learning · Computer Science 2019-02-04 Yuesong Shen , Tao Wu , Csaba Domokos , Daniel Cremers

Graph Neural Networks (GNNs) are a popular class of machine learning models. Inspired by the learning to explain (L2X) paradigm, we propose L2XGNN, a framework for explainable GNNs which provides faithful explanations by design. L2XGNN…

Machine Learning · Computer Science 2024-06-17 Giuseppe Serra , Mathias Niepert

In real-world networks, predicting the weight (strength) of links is as crucial as predicting the existence of the links themselves. Previous studies have primarily used shallow graph features for link weight prediction, limiting the…

Social and Information Networks · Computer Science 2024-10-29 Jinbi Liang , Cunlai Pu , Xiangbo Shu , Yongxiang Xia , Chengyi Xia

Neural networks are powerful function estimators, leading to their status as a paradigm of choice for modeling structured data. However, unlike other structured representations that emphasize the modularity of the problem -- e.g., factor…

Machine Learning · Computer Science 2022-06-20 Tsvetomila Mihaylova , Vlad Niculae , André F. T. Martins