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The Weisfeiler-Leman algorithm ($1$-WL) is a well-studied heuristic for the graph isomorphism problem. Recently, the algorithm has played a prominent role in understanding the expressive power of message-passing graph neural networks…

Graph neural networks (GNNs) have achieved great success in various graph problems. However, most GNNs are Message Passing Neural Networks (MPNNs) based on the homophily assumption, where nodes with the same label are connected in graphs.…

Graphs are mathematical tools that can be used to represent complex real-world interconnected systems, such as financial markets and social networks. Hence, machine learning (ML) over graphs has attracted significant attention recently.…

Graph Neural Networks (GNNs) have attracted increasing attention in recent years and have achieved excellent performance in semi-supervised node classification tasks. The success of most GNNs relies on one fundamental assumption, i.e., the…

Link prediction is a fundamental problem in many graph based applications, such as protein-protein interaction prediction. Graph neural network (GNN) has recently been widely used for link prediction. However, existing GNN based link…

Factors such as the proliferation of renewable energy and electrification contribute to grid congestion as a pressing problem. Topology control is an appealing method for relieving congestion, but traditional approaches for topology…

Differentiable solvers for the linear assignment problem (LAP) have attracted much research attention in recent years, which are usually embedded into learning frameworks as components. However, previous algorithms, with or without learning…

Graph Neural Networks (GNNs) are a predominant method for graph representation learning. However, beyond subgraph frequency estimation, their application to network motif significance-profile (SP) prediction remains under-explored, with no…

We precisely characterize the expressivity of computable Recurrent Graph Neural Networks (recurrent GNNs). We prove that recurrent GNNs with finite-precision parameters, sum aggregation, and ReLU activation, can compute any graph algorithm…

Graph Neural Networks (GNNs) have proven to be successful in many classification tasks, outperforming previous state-of-the-art methods in terms of accuracy. However, accuracy alone is not enough for high-stakes decision making. Decision…

Large margin nearest neighbor (LMNN) is a metric learner which optimizes the performance of the popular $k$NN classifier. However, its resulting metric relies on pre-selected target neighbors. In this paper, we address the feasibility of…

While Annealing Machines (AM) have shown increasing capabilities in solving complex combinatorial problems, positioning themselves as a more immediate alternative to the expected advances of future fully quantum solutions, there are still…

Recent studies have underscored the capabilities of natural imaging foundation models to serve as powerful feature extractors, even in a zero-shot setting for medical imaging data. Most commonly, a shallow multi-layer perceptron (MLP) is…

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…

Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn…

The success of Graph Neural Networks (GNN) in learning on non-Euclidean data arouses many subtopics, such as Label-inputted GNN (LGNN) and Implicit GNN (IGNN). LGNN, explicitly inputting supervising information (a.k.a. labels) in GNN,…

Graph Neural Networks (GNNs) achieve an impressive performance on structured graphs by recursively updating the representation vector of each node based on its neighbors, during which parameterized transformation matrices should be learned…

Graphical models capture relations between entities in a wide range of applications including social networks, biology, and natural language processing, among others. Graph neural networks (GNN) are neural models that operate over graphs,…

Job shop scheduling problems (JSSPs) represent a critical and challenging class of combinatorial optimization problems. Recent years have witnessed a rapid increase in the application of graph neural networks (GNNs) to solve JSSPs, albeit…

Graph Structure Learning (GSL) has recently garnered considerable attention due to its ability to optimize both the parameters of Graph Neural Networks (GNNs) and the computation graph structure simultaneously. Despite the proliferation of…