Related papers: MaNGO - Adaptable Graph Network Simulators via Met…

Graph neural networks (GNNs) demonstrate great performance in compound property and activity prediction due to their capability to efficiently learn complex molecular graph structures. However, two main limitations persist including…

Graph Neural Networks (GNNs) have already been widely applied in various graph mining tasks. However, they suffer from the shallow architecture issue, which is the key impediment that hinders the model performance improvement. Although…

Graph classification aims to extract accurate information from graph-structured data for classification and is becoming more and more important in graph learning community. Although Graph Neural Networks (GNNs) have been successfully…

Robots assisting us in factories or homes must learn to make use of objects as tools to perform tasks, e.g., a tray for carrying objects. We consider the problem of learning commonsense knowledge of when a tool may be useful and how its use…

Graph-structured data is ubiquitous in the real world, and Graph Neural Networks (GNNs) have become increasingly popular in various fields due to their ability to process such irregular data directly. However, as data scale, GNNs become…

Successful material selection is critical in designing and manufacturing products for design automation. Designers leverage their knowledge and experience to create high-quality designs by selecting the most appropriate materials through…

\textit{Graph neural networks} (GNNs) are effective models for many dynamical systems consisting of entities and relations. Although most GNN applications assume a single type of entity and relation, many situations involve multiple types…

Graph Neural Networks (GNN) show great promise in problems dealing with graph-structured data. One of the unique points of GNNs is their flexibility to adapt to multiple problems, which not only leads to wide applicability, but also poses…

Graph Neural Networks (GNNs) are powerful deep learning models to generate node embeddings on graphs. When applying deep GNNs on large graphs, it is still challenging to perform training in an efficient and scalable way. We propose a novel…

Inverse problems in granular flows, such as landslides and debris flows, involve estimating material parameters or boundary conditions based on target runout profile. Traditional high-fidelity simulators for these inverse problems are…

Machine Learning (ML) has the potential to accelerate discovery of new materials and shed light on useful properties of existing materials. A key difficulty when applying ML in Materials Science is that experimental datasets of material…

Recently, graph neural networks (GNNs) have shown prominent performance in graph representation learning by leveraging knowledge from both graph structure and node features. However, most of them have two major limitations. First, GNNs can…

Graph Neural Networks (GNNs) are key tools for graph representation learning, demonstrating strong results across diverse prediction tasks. In this paper, we present Convexified Message-Passing Graph Neural Networks (CGNNs), a novel and…

Graph processes exhibit a temporal structure determined by the sequence index and and a spatial structure determined by the graph support. To learn from graph processes, an information processing architecture must then be able to exploit…

Graph neural networks (GNN) represent an emerging line of deep learning models that operate on graph structures. It is becoming more and more popular due to its high accuracy achieved in many graph-related tasks. However, GNN is not as well…

Machine learning (ML) and deep learning (DL) techniques have gained significant attention as reduced order models (ROMs) to computationally expensive structural analysis methods, such as finite element analysis (FEA). Graph neural network…

Graph neural networks (GNNs) demonstrate outstanding performance in a broad range of applications. While the majority of GNN applications assume that a graph structure is given, some recent methods substantially expanded the applicability…

Efficient network modeling is essential for resource optimization and network planning in next-generation large-scale complex networks. Traditional approaches, such as queuing theory-based modeling and packet-based simulators, can be…

Graph Neural Networks (GNNs) have gained popularity in various learning tasks, with successful applications in fields like molecular biology, transportation systems, and electrical grids. These fields naturally use graph data, benefiting…

Graph Neural Networks (GNNs) have emerged as powerful tools for learning over graph-structured data, yet recent studies have shown that their performance gains are beginning to plateau. In many cases, well-established models such as GCN and…