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Optimization over trained machine learning models has applications including: verification, minimizing neural acquisition functions, and integrating a trained surrogate into a larger decision-making problem. This paper formulates and solves…

Graph convolutional networks (GCNs) are widely used in graph-based applications such as graph classification and segmentation. However, current GCNs have limitations on implementation such as network architectures due to their irregular…

Graph matching refers to finding node correspondence between graphs, such that the corresponding node and edge's affinity can be maximized. In addition with its NP-completeness nature, another important challenge is effective modeling of…

Recent advances in research have demonstrated the effectiveness of knowledge graphs (KG) in providing valuable external knowledge to improve recommendation systems (RS). A knowledge graph is capable of encoding high-order relations that…

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…

A wide range of models have been proposed for Graph Generative Models, necessitating effective methods to evaluate their quality. So far, most techniques use either traditional metrics based on subgraph counting, or the representations of…

Graph similarity is critical in graph-related tasks such as graph retrieval, where metrics like maximum common subgraph (MCS) and graph edit distance (GED) are commonly used. However, exact computations of these metrics are known to be…

We propose an end-to-end framework based on a Graph Neural Network (GNN) to balance the power flows in energy grids. The balancing is framed as a supervised vertex regression task, where the GNN is trained to predict the current and power…

Graph similarity computation (GSC) aims to quantify the similarity score between two graphs. Although recent GSC methods based on graph neural networks (GNNs) take advantage of intra-graph structures in message passing, few of them fully…

The significant increase in world population and urbanisation has brought several important challenges, in particular regarding the sustainability, maintenance and planning of urban mobility. At the same time, the exponential increase of…

Graph Neural Networks (GNNs) have emerged as a powerful tool to capture intricate network patterns, achieving success across different domains. However, existing GNNs require careful domain-specific architecture designs and training from…

Applying deep learning (DL) techniques in the electronic design automation (EDA) field has become a trending topic. Most solutions apply well-developed DL models to solve specific EDA problems. While demonstrating promising results, they…

Deep graph clustering, which aims to reveal the underlying graph structure and divide the nodes into different groups, has attracted intensive attention in recent years. However, we observe that, in the process of node encoding, existing…

In recent years, graph neural networks (GNNs) have emerged as a successful tool in a variety of graph-related applications. However, the performance of GNNs can be deteriorated when noisy connections occur in the original graph structures;…

Recent work has demonstrated that geometric deep learning methods such as graph neural networks (GNNs) are well suited to address a variety of reconstruction problems in high energy particle physics. In particular, particle tracking data is…

Graph neural networks (GNNs) have received tremendous attention due to their power in learning effective representations for graphs. Most GNNs follow a message-passing scheme where the node representations are updated by aggregating and…

Graph Neural Networks (GNNs) are deep-learning architectures designed for graph-type data, where understanding relationships among individual observations is crucial. However, achieving promising GNN performance, especially on unseen data,…

Recent advances have shown the success of using reinforcement learning and search to solve NP-hard graph-related tasks, such as Traveling Salesman Optimization, Graph Edit Distance computation, etc. However, it remains unclear how one can…

Graph Neural Networks (GNNs) have become mainstream methods for solving the semi-supervised node classification problem. However, due to the uneven location distribution of labeled nodes in the graph, labeled nodes are only accessible to a…

Self-supervised learning has shown its promising capability in graph representation learning in recent work. Most existing pre-training strategies usually choose the popular Graph neural networks (GNNs), which can be seen as a special form…