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This work presents the use of graph learning for the prediction of multi-step experimental outcomes for applications across experimental research, including material science, chemistry, and biology. The viability of geometric learning for…
Geometric variations like rotation, scaling, and viewpoint changes pose a significant challenge to visual understanding. One common solution is to directly model certain intrinsic structures, e.g., using landmarks. However, it then becomes…
Spectral Graph Convolutional Networks (GCNs) have gained popularity in graph machine learning applications due, in part, to their flexibility in specification of network propagation rules. These propagation rules are often constructed as…
Graph signal processing analyzes signals supported on the nodes of a graph by defining the shift operator in terms of a matrix, such as the graph adjacency matrix or Laplacian matrix, related to the structure of the graph. With respect to…
We introduce Automorphism-based graph neural networks (Autobahn), a new family of graph neural networks. In an Autobahn, we decompose the graph into a collection of subgraphs and apply local convolutions that are equivariant to each…
Convolutional neural networks (CNNs) have massively impacted visual recognition in 2D images, and are now ubiquitous in state-of-the-art approaches. CNNs do not easily extend, however, to data that are not represented by regular grids, such…
The graph structure is a commonly used data storage mode, and it turns out that the low-dimensional embedded representation of nodes in the graph is extremely useful in various typical tasks, such as node classification, link prediction ,…
Predictive monitoring of business processes is a subfield of process mining that aims to predict, among other things, the characteristics of the next event or the sequence of next events. Although multiple approaches based on deep learning…
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…
A large number of real-world networks include multiple types of nodes and edges. Graph Neural Network (GNN) emerged as a deep learning framework to generate node and graph embeddings for downstream machine learning tasks. However, popular…
A convolutional layer in a Convolutional Neural Network (CNN) consists of many filters which apply convolution operation to the input, capture some special patterns and pass the result to the next layer. If the same patterns also occur at…
Graph Neural Networks (GNNs) rely on graph convolutions to exploit meaningful patterns in networked data. Based on matrix multiplications, convolutions incur in high computational costs leading to scalability limitations in practice. To…
In the current era of neural networks and big data, higher dimensional data is processed for automation of different application areas. Graphs represent a complex data organization in which dependencies between more than one object or…
This paper proposes a new Quantum Spatial Graph Convolutional Neural Network (QSGCNN) model that can directly learn a classification function for graphs of arbitrary sizes. Unlike state-of-the-art Graph Convolutional Neural Network (GCNN)…
Graph Neural Networks (GNNs) are information processing architectures for signals supported on graphs. They are presented here as generalizations of convolutional neural networks (CNNs) in which individual layers contain banks of graph…
Graph data often exhibits complex geometric heterogeneity, where structures with varying local curvature, such as tree-like hierarchies and dense communities, coexist within a single network. Existing geometric GNNs, which embed graphs into…
Graph convolutional neural network provides good solutions for node classification and other tasks with non-Euclidean data. There are several graph convolutional models that attempt to develop deep networks but do not cause serious…
Attributed graph embedding, which learns vector representations from graph topology and node features, is a challenging task for graph analysis. Recently, methods based on graph convolutional networks (GCNs) have made great progress on this…
Graph learning is currently dominated by graph kernels, which, while powerful, suffer some significant limitations. Convolutional Neural Networks (CNNs) offer a very appealing alternative, but processing graphs with CNNs is not trivial. To…
Adversarial attacks present a significant risk to the integrity and performance of graph neural networks, particularly in tasks where graph structure and node features are vulnerable to manipulation. In this paper, we present a novel model,…