Related papers: Data efficiency in graph networks through equivari…

In this work we investigate how to achieve equivariance to input transformations in deep networks, purely from data, without being given a model of those transformations. Convolutional Neural Networks (CNNs), for example, are equivariant to…

Unsupervised graph alignment aims to find the node correspondence across different graphs without any anchor node pairs. Despite the recent efforts utilizing deep learning-based techniques, such as the embedding and optimal transport…

We present a novel graph diffusion-embedding networks (GDEN) for graph structured data. GDEN is motivated by our closed-form formulation on regularized feature diffusion on graph. GDEN integrates both regularized feature diffusion and…

Supervised learning with deep models has tremendous potential for applications in materials science. Recently, graph neural networks have been used in this context, drawing direct inspiration from models for molecules. However, materials…

This paper considers the problem of embedding directed graphs in Euclidean space while retaining directional information. We model a directed graph as a finite set of observations from a diffusion on a manifold endowed with a vector field.…

Quantum neural network architectures that have little-to-no inductive biases are known to face trainability and generalization issues. Inspired by a similar problem, recent breakthroughs in machine learning address this challenge by…

Graph Convolutional Network (GCN) has been widely used in graph learning tasks. However, GCN-based models (GCNs) is an inherently coupled training framework repetitively conducting the complex neighboring aggregation, which leads to the…

Recently, graph neural networks (GNNs) have become an important and active research direction in deep learning. It is worth noting that most of the existing GNN-based methods learn graph representations within the Euclidean vector space.…

Low-dimensional node embeddings play a key role in analyzing graph datasets. However, little work studies exactly what information is encoded by popular embedding methods, and how this information correlates with performance in downstream…

We present a general theory of Group equivariant Convolutional Neural Networks (G-CNNs) on homogeneous spaces such as Euclidean space and the sphere. Feature maps in these networks represent fields on a homogeneous base space, and layers…

Most previous heterogeneous graph embedding models represent elements in a heterogeneous graph as vector representations in a low-dimensional Euclidean space. However, because heterogeneous graphs inherently possess complex structures, such…

Data clustering, the task of grouping observations according to their similarity, is a key component of unsupervised learning -- with real world applications in diverse fields such as biology, medicine, and social science. Often in these…

We present a general framework for symmetrizing an arbitrary neural-network architecture and making it equivariant with respect to a given group. We build upon the proposals of Kim et al. (2023); Kaba et al. (2023) for symmetrization, and…

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…

Permutation equivariant neural networks are typically used to learn from data that lives on a graph. However, for any graph $G$ that has $n$ vertices, using the symmetric group $S_n$ as its group of symmetries does not take into account the…

Graph Neural Network (GNN) is a powerful tool to perform standard machine learning on graphs. To have a Euclidean representation of every node in the Non-Euclidean graph-like data, GNN follows neighbourhood aggregation and combination of…

Embodied systems experience the world as 'a symphony of flows': a combination of many continuous streams of sensory input coupled to self-motion, interwoven with the dynamics of external objects. These streams obey smooth,…

Graph Neural Networks (GNNs) have demonstrated remarkable success in various applications, yet they often struggle to capture long-range dependencies (LRD) effectively. This paper introduces GraphMinNet, a novel GNN architecture that…

Graph neural networks (GNNs) are the dominant approach to solving machine learning problems defined over graphs. Despite much theoretical and empirical work in recent years, our understanding of finer-grained aspects of architectural design…

In this paper we present a general procedure that allows for the reduction or expansion of any network (considered as a weighted graph). This procedure maintains the spectrum of the network's adjacency matrix up to a set of eigenvalues…