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Soft, porous mechanical metamaterials exhibit pattern transformations that may have important applications in soft robotics, sound reduction and biomedicine. To design these innovative materials, it is important to be able to simulate them…

Multivariate time series (MTS) forecasting is an essential problem in many fields. Accurate forecasting results can effectively help decision-making. To date, many MTS forecasting methods have been proposed and widely applied. However,…

The elasticity tensor that describes the elastic response of a material to external forces is among the most fundamental properties of materials. The availability of full elasticity tensors for inorganic crystalline compounds, however, is…

Recently, graph-based models designed for downstream tasks have significantly advanced research on graph neural networks (GNNs). GNN baselines based on neural message-passing mechanisms such as GCN and GAT perform worse as the network…

Graph neural networks (GNNs) are gaining increasing popularity as a promising approach to machine learning on graphs. Unlike traditional graph workloads where each vertex/edge is associated with a scalar, GNNs attach a feature tensor to…

Edge intelligence has arisen as a promising computing paradigm for supporting miscellaneous smart applications that rely on machine learning techniques. While the community has extensively investigated multi-tier edge deployment for…

Graph neural networks (GNNs) naturally align with sparse operators and unstructured discretizations, making them a promising paradigm for physics-informed machine learning in computational mechanics. Motivated by discrete physics losses and…

It has been observed that message-passing graph neural networks (GNN) sometimes struggle to maintain a healthy balance between the efficient/scalable modeling of long-range dependencies across nodes while avoiding unintended consequences…

Sequential recommendation has been a widely popular topic of recommender systems. Existing works have contributed to enhancing the prediction ability of sequential recommendation systems based on various methods, such as recurrent networks…

Active researches are currently being performed to incorporate the wealth of scientific knowledge into data-driven approaches (e.g., neural networks) in order to improve the latter's effectiveness. In this study, the Theory-guided Neural…

Modern data sources are typically of large scale and multi-modal natures, and acquired on irregular domains, which poses serious challenges to traditional deep learning models. These issues are partially mitigated by either extending…

The dominant paradigm for learning on graph-structured data is message passing. Despite being a strong inductive bias, the local message passing mechanism suffers from pathological issues such as over-smoothing, over-squashing, and limited…

Many quantities we are interested in predicting are geometric tensors; we refer to this class of problems as geometric prediction. Attempts to perform geometric prediction in real-world scenarios have been limited to approximating them…

In this paper, we propose a novel edge-labeling graph neural network (EGNN), which adapts a deep neural network on the edge-labeling graph, for few-shot learning. The previous graph neural network (GNN) approaches in few-shot learning have…

Graph neural networks have shown to learn effective node representations, enabling node-, link-, and graph-level inference. Conventional graph networks assume static relations between nodes, while relations between entities in a video often…

Inorganic crystal materials have broad application potential due to excellent physical and chemical properties, with elastic properties (shear modulus, bulk modulus) crucial for predicting materials' electrical conductivity, thermal…

Recently, Deep-Neural-Network (DNN) based edge prediction is progressing fast. Although the DNN based schemes outperform the traditional edge detectors, they have much higher computational complexity. It could be that the DNN based edge…

This study analyzes Graph Neural Networks (GNNs) for distribution system state estimation (DSSE) by employing an interpretable Graph Neural Additive Network (GNAN) and by utilizing an edge-conditioned message-passing mechanism. The…

Machine-learning interatomic potentials (MLIPs) have made a significant contribution to the recent progress in the fields of computational materials and chemistry due to the MLIPs' ability of accurately approximating energy landscapes of…

Although Graph Neural Networks (GNNs) have exhibited the powerful ability to gather graph-structured information from neighborhood nodes via various message-passing mechanisms, the performance of GNNs is limited by poor generalization and…