Related papers: Deep Bayesian Optimization on Attributed Graphs

Graph neural networks (GNNs) have extended the success of deep neural networks (DNNs) to non-Euclidean graph data, achieving ground-breaking performance on various tasks such as node classification and graph property prediction.…

Recently, Graph Neural Networks (GNNs) have greatly advanced the task of graph classification. Typically, we first build a unified GNN model with graphs in a given training set and then use this unified model to predict labels of all 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…

Efficient Global Optimization (EGO) is widely used for the optimization of computationally expensive black-box functions. It uses a surrogate modeling technique based on Gaussian Processes (Kriging). However, due to the use of a stationary…

Graph learning (GL) can dynamically capture the distribution structure (graph structure) of data based on graph convolutional networks (GCN), and the learning quality of the graph structure directly influences GCN for semi-supervised…

For Bayesian optimization (BO) on high-dimensional data with complex structure, neural network-based kernels for Gaussian processes (GPs) have been used to learn flexible surrogate functions by the high representation power of deep…

Graph embedding techniques have attracted growing interest since they convert the graph data into continuous and low-dimensional space. Effective graph analytic provides users a deeper understanding of what is behind the data and thus can…

Graph partitioning is the problem of dividing the nodes of a graph into balanced partitions while minimizing the edge cut across the partitions. Due to its combinatorial nature, many approximate solutions have been developed, including…

Accurate modeling of realistic network topologies is essential for evaluating novel Internet solutions. Current topology generators, notably scale-free-based models, fail to capture multiple properties of intra-AS topologies. While…

Learning the structure of Directed Acyclic Graphs (DAGs) presents a significant challenge due to the vast combinatorial search space of possible graphs, which scales exponentially with the number of nodes. Recent advancements have redefined…

We investigate a link between Graph Neural Networks (GNNs) and Quadratic Unconstrained Binary Optimization (QUBO) problems, laying the groundwork for GNNs to approximate solutions for these computationally challenging tasks. By analyzing…

Differential Networks (DNs), tools that encapsulate interactions within intricate systems, are brought under the Bayesian lens in this research. A novel na{\i}ve Bayesian adaptive graphical elastic net (BAE) prior is introduced to estimate…

We consider derivative-free black-box global optimization of expensive noisy functions, when most of the randomness in the objective is produced by a few influential scalar random inputs. We present a new Bayesian global optimization…

Training deep graph neural networks (GNNs) poses a challenging task, as the performance of GNNs may suffer from the number of hidden message-passing layers. The literature has focused on the proposals of {over-smoothing} and…

Predicting metro passenger flow precisely is of great importance for dynamic traffic planning. Deep learning algorithms have been widely applied due to their robust performance in modelling non-linear systems. However, traditional deep…

This paper explores the applications and challenges of graph neural networks (GNNs) in processing complex graph data brought about by the rapid development of the Internet. Given the heterogeneity and redundancy problems that graph data…

Recent claims of achieving exponential quantum advantage have attracted attention to Gaussian boson sampling (GBS), a potential application of which is dense subgraph finding. We investigate the effects of sources of error including loss…

This work presents a novel approach to tabular data prediction leveraging graph structure learning and graph neural networks. Despite the prevalence of tabular data in real-world applications, traditional deep learning methods often…

Graph neural networks (GNNs) are prominent for their effectiveness in processing graph data for semi-supervised node classification tasks. Most works of GNNs assume that the observed structure accurately represents the underlying node…

Bayesian optimisation (BO) uses probabilistic surrogate models - usually Gaussian processes (GPs) - for the optimisation of expensive black-box functions. At each BO iteration, the GP hyperparameters are fit to previously-evaluated data by…