相关论文: Edge-based Tensor prediction via graph neural netw…

Graph Neural Networks (GNNs) have emerged as a prominent research topic in the field of machine learning. Existing GNN models are commonly categorized into two types: spectral GNNs, which are designed based on polynomial graph filters, and…

We present AnisoGNNs -- graph neural networks (GNNs) that generalize predictions of anisotropic properties of polycrystals in arbitrary testing directions without the need in excessive training data. To this end, we develop GNNs with a…

This paper reviews graph convolutional neural networks (GCNNs) through the lens of edge-variant graph filters. The edge-variant graph filter is a finite order, linear, and local recursion that allows each node, in each iteration, to weigh…

Modern sensing and metrology systems now stream terabytes of heterogeneous, high-dimensional (HD) data profiles, images, and dense point clouds, whose natural representation is multi-way tensors. Understanding such data requires regression…

Triangular meshes are widely used to represent three-dimensional objects. As a result, many recent works have address the need for geometric deep learning on 3D mesh. However, we observe that the complexities in many of these architectures…

Deep convolutional neural networks (DCNN for short) are vulnerable to examples with small perturbations. Improving DCNN's robustness is of great significance to the safety-critical applications, such as autonomous driving and industry…

Predicting the effect of amino acid mutations on enzyme thermodynamic stability (DDG) is fundamental to protein engineering and drug design. While recent deep learning approaches have shown promise, they often process sequence and structure…

Message Passing Neural Networks (MPNNs) are a common type of Graph Neural Network (GNN), in which each node's representation is computed recursively by aggregating representations (messages) from its immediate neighbors akin to a…

Message passing neural networks (MPNNs) operate on graphs by exchanging information between neigbouring nodes. MPNNs have been successfully applied to various node-, edge-, and graph-level tasks in areas like molecular science, computer…

Text detection in scenes based on deep neural networks have shown promising results. Instead of using word bounding box regression, recent state-of-the-art methods have started focusing on character bounding box and pixel-level prediction.…

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…

Machine learning models and applications in materials design and discovery typically involve the use of feature representations or "descriptors" followed by a learning algorithm that maps them to a user-desired property of interest. Most…

Graph neural networks (GNNs) extend convolutional neural networks (CNNs) to graph-based data. A question that arises is how much performance improvement does the underlying graph structure in the GNN provide over the CNN (that ignores this…

Existing network embedding approaches tackle the problem of learning low-dimensional node representations. However, networks can also be seen in the light of edges interlinking pairs of nodes. The broad goal of this paper is to introduce…

Structural data from Electronic Health Records as complementary information to imaging data for disease prediction. We incorporate novel weighting layer into the Graph Convolutional Networks, which weights every element of structural data…

We propose a tensor neural network ($t$-NN) framework that offers an exciting new paradigm for designing neural networks with multidimensional (tensor) data. Our network architecture is based on the $t$-product (Kilmer and Martin, 2011), an…

Motivated by applications in chemistry and other sciences, we study the expressive power of message-passing neural networks for geometric graphs, whose node features correspond to 3-dimensional positions. Recent work has shown that such…

Dynamic graphs provide a flexible data abstraction for modelling many sorts of real-world systems, such as transport, trade, and social networks. Graph neural networks (GNNs) are powerful tools allowing for different kinds of prediction and…

We present diffusion-convolutional neural networks (DCNNs), a new model for graph-structured data. Through the introduction of a diffusion-convolution operation, we show how diffusion-based representations can be learned from…

We present a SE(3)-equivariant graph neural network (GNN) approach that directly predicting the formation factor and effective permeability from micro-CT images. FFT solvers are established to compute both the formation factor and effective…