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The increasingly wide use of deep machine learning techniques in computational mechanics has significantly accelerated simulations of problems that were considered unapproachable just a few years ago. However, in critical applications such…

Graph neural networks (GNNs) are highly effective on a variety of graph-related tasks; however, they lack interpretability and transparency. Current explainability approaches are typically local and treat GNNs as black-boxes. They do not…

In this work, we provide a new formulation for Graph Convolutional Neural Networks (GCNNs) for link prediction on graph data that addresses common challenges for biomedical knowledge graphs (KGs). We introduce a regularized attention…

The current success of Graph Neural Networks (GNNs) usually relies on loading the entire attributed graph for processing, which may not be satisfied with limited memory resources, especially when the attributed graph is large. This paper…

For each Boolean graph $B_n$, it is proved that both $B_n$ and its complement graph $\overline{B_n}$ are vertex decomposable. It is also proved that $B_n$ is an unmixed graph, thus it is also Cohen-Macaulay.

Graph Neural Networks (GNNs) are gaining increasing attention on graph data learning tasks in recent years. However, in many applications, graph may be coming in an incomplete form where attributes of graph nodes are partially…

Graph Neural Networks (GNNs) have achieved remarkable performance in a wide range of graph-related learning tasks. However, explaining their predictions remains a challenging problem, especially due to the mismatch between the graphs used…

Graph Neural Networks (GNNs) have been widely used for various learning tasks, ranging from node classification to link prediction. They have demonstrated excellent performance in multiple domains involving graph-structured data. However,…

Graph self-supervised learning (SSL) has been vastly employed to learn representations from unlabeled graphs. Existing methods can be roughly divided into predictive learning and contrastive learning, where the latter one attracts more…

Graph Neural Networks (GNNs) have become the de facto standard for analyzing graph-structured data, leveraging message-passing techniques to capture both structural and node feature information. However, recent studies have raised concerns…

Graph convolutional networks (GCNs) have achieved great success on graph-structured data. Many graph convolutional networks can be thought of as low-pass filters for graph signals. In this paper, we propose a more powerful graph…

Graph convolutional networks (GCNs) are a widely used method for graph representation learning. To elucidate the capabilities and limitations of GCNs, we investigate their power, as a function of their number of layers, to distinguish…

We present a new approach, the Topograph, which reconstructs underlying physics processes, including the intermediary particles, by leveraging underlying priors from the nature of particle physics decays and the flexibility of message…

Graph convolutional neural networks (GCNs) are powerful tools for learning graph-based knowledge representations from training data. However, they are vulnerable to small perturbations in the input graph, which makes them susceptible to…

A logical function can be used to characterizing a property of a state of Boolean network (BN), which is considered as an aggregation of states. To illustrate the dynamics of a set of logical functions, which characterize our concerned…

Signed networks have been a topic of recent interest in the network control community as they allow studying antagonistic interactions in multi-agent systems. Although dynamical characteristics of signed networks have been well-studied,…

While renormalization groups are fundamental in physics, renormalization of complex networks remains vague in its conceptual definition and methodology. Here, we propose a novel strategy to renormalize complex networks. Rather than…

Graph neural networks (GNNs) are deep learning architectures for machine learning problems on graphs. It has recently been shown that the expressiveness of GNNs can be characterised precisely by the combinatorial Weisfeiler-Leman algorithms…

Recently, techniques for applying convolutional neural networks to graph-structured data have emerged. Graph convolutional neural networks (GCNNs) have been used to address node and graph classification and matrix completion. Although the…

Graphs serve as generic tools to encode the underlying relational structure of data. Often this graph is not given, and so the task of inferring it from nodal observations becomes important. Traditional approaches formulate a convex inverse…