相关论文: Clifford Group Equivariant Simplicial Message Pass…

There has been much recent interest in designing neural networks (NNs) with relaxed equivariance, which interpolate between exact equivariance and full flexibility for consistent performance gains. In a separate line of work, structured…

Convolutional Neural Networks (CNN) have been successful in processing data signals that are uniformly sampled in the spatial domain (e.g., images). However, most data signals do not natively exist on a grid, and in the process of being…

We give a Clifford correspondence for an algebra A over an algebraically closed field, that is an algorithm for constructing some finite-dimensional simple A-modules from simple modules for a subalgebra and endomorphism algebras. This…

In recent studies, neural message passing has proved to be an effective way to design graph neural networks (GNNs), which have achieved state-of-the-art performance in many graph-based tasks. However, current neural-message passing…

We develop the method of averaging in Clifford (geometric) algebras suggested by the author in previous papers. We consider operators constructed using two different sets of anticommuting elements of real or complexified Clifford algebras.…

Link prediction in multilayer networks is a key challenge in applications such as recommendation systems and protein-protein interaction prediction. While many techniques have been developed, most rely on assumptions about shared structures…

Subgraph GNNs are a recent class of expressive Graph Neural Networks (GNNs) which model graphs as collections of subgraphs. So far, the design space of possible Subgraph GNN architectures as well as their basic theoretical properties are…

The global attention mechanism is one of the keys to the success of transformer architecture, but it incurs quadratic computational costs in relation to the number of tokens. On the other hand, equivariant models, which leverage the…

Graph Neural Networks (GNNs) have achieved remarkable success across diverse applications, yet they remain limited by oversmoothing and poor performance on heterophilic graphs. To address these challenges, we introduce a novel framework…

Creating fast and accurate force fields is a long-standing challenge in computational chemistry and materials science. Recently, several equivariant message passing neural networks (MPNNs) have been shown to outperform models built using…

Based on a presentation of $\mathcal{C}_n$ and the help of [GAP], we construct the character table of the Clifford group $\mathcal{C}_n$ for $n=1,2,3$. As an application, we can efficiently decompose the (higher power of) tensor product of…

The ability to perform fast and accurate atomistic simulations is crucial for advancing the chemical sciences. By learning from high-quality data, machine-learned interatomic potentials achieve accuracy on par with ab initio and…

Convolutions encode equivariance symmetries into neural networks leading to better generalisation performance. However, symmetries provide fixed hard constraints on the functions a network can represent, need to be specified in advance, and…

In this work we propose Pathfinder Discovery Networks (PDNs), a method for jointly learning a message passing graph over a multiplex network with a downstream semi-supervised model. PDNs inductively learn an aggregated weight for each edge,…

Representations learnt through deep neural networks tend to be highly informative, but opaque in terms of what information they learn to encode. We introduce an approach to probabilistic modelling that learns to represent data with two…

We propose a simplicial complex convolutional neural network (SCCNN) to learn data representations on simplicial complexes. It performs convolutions based on the multi-hop simplicial adjacencies via common faces and cofaces independently…

Our work is concerned with simplicial complexes that describe higher-order interactions in real complex systems. This description allows to go beyond the pairwise node-to-node representation that simple networks provide and to capture a…

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…

Neural architectures that learn potential energy surfaces from molecular data have undergone fast improvement in recent years. A key driver of this success is the Message Passing Neural Network (MPNN) paradigm. Its favorable scaling with…

Weight sharing in convolutional neural networks (CNNs) ensures that their feature maps will be translation-equivariant. However, although conventional convolutions are equivariant to translation, they are not equivariant to other isometries…