Related papers: Data efficiency in graph networks through equivari…

Equivariant neural networks incorporate symmetries through group actions, embedding them as an inductive bias to improve performance. Existing methods learn an equivariant action on the latent space, or design architectures that are…

While (message-passing) graph neural networks have clear limitations in approximating permutation-equivariant functions over graphs or general relational data, more expressive, higher-order graph neural networks do not scale to large…

Graph Neural Networks (GNNs) have emerged as the de facto standard for modeling graph data, with attention mechanisms and transformers significantly enhancing their performance on graph-based tasks. Despite these advancements, the…

Graph analytics can lead to better quantitative understanding and control of complex networks, but traditional methods suffer from high computational cost and excessive memory requirements associated with the high-dimensionality and…

Recently, graph neural networks (GNNs) have proved to be suitable in tasks on unstructured data. Particularly in tasks as community detection, node classification, and link prediction. However, most GNN models still operate with static…

Graph embeddings have emerged as a powerful tool for representing complex network structures in a low-dimensional space, enabling the use of efficient methods that employ the metric structure in the embedding space as a proxy for the…

Graph machine learning architectures are typically tailored to specific tasks on specific datasets, which hinders their broader applicability. This has led to a new quest in graph machine learning: how to build graph foundation models…

Given large datasets and sufficient compute, is it beneficial to design neural architectures for the structure and symmetries of each problem? Or is it more efficient to learn them from data? We study empirically how equivariant and…

Equivariant Graph Neural Networks (GNNs) have achieved remarkable success across diverse scientific applications. However, existing approaches face critical efficiency challenges when scaling to large geometric graphs and suffer significant…

Mapping complex input data into suitable lower dimensional manifolds is a common procedure in machine learning. This step is beneficial mainly for two reasons: (1) it reduces the data dimensionality and (2) it provides a new data…

The translation equivariance of convolutions can make convolutional neural networks translation equivariant or invariant. Equivariance to other transformations (e.g. rotations, affine transformations, scalings) may also be desirable as soon…

Graph embedding is a transformation of nodes of a network into a set of vectors. A good embedding should capture the underlying graph topology and structure, node-to-node relationship, and other relevant information about the graph, its…

Incorporating symmetry as an inductive bias into neural network architecture has led to improvements in generalization, data efficiency, and physical consistency in dynamics modeling. Methods such as CNNs or equivariant neural networks use…

We consider the prediction of the Hamiltonian matrix, which finds use in quantum chemistry and condensed matter physics. Efficiency and equivariance are two important, but conflicting factors. In this work, we propose a SE(3)-equivariant…

Distances are pervasive in machine learning. They serve as similarity measures, loss functions, and learning targets; it is said that a good distance measure solves a task. When defining distances, the triangle inequality has proven to be a…

Incorporating equivariance to symmetry groups as a constraint during neural network training can improve performance and generalization for tasks exhibiting those symmetries, but such symmetries are often not perfectly nor explicitly…

Invariant and equivariant networks are useful in learning data with symmetry, including images, sets, point clouds, and graphs. In this paper, we consider invariant and equivariant networks for symmetries of finite groups. Invariant and…

Interest has been rising lately towards methods representing data in non-Euclidean spaces, e.g. hyperbolic or spherical, that provide specific inductive biases useful for certain real-world data properties, e.g. scale-free, hierarchical or…

Extensive work has demonstrated that equivariant neural networks can significantly improve sample efficiency and generalization by enforcing an inductive bias in the network architecture. These applications typically assume that the domain…

In this paper we show how Group Equivariant Convolutional Neural Networks use subsampling to learn to break equivariance to their symmetries. We focus on 2D rotations and reflections and investigate the impact of broken equivariance on…