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While state-of-the-art kernels for graphs with discrete labels scale well to graphs with thousands of nodes, the few existing kernels for graphs with continuous attributes, unfortunately, do not scale well. To overcome this limitation, we…

Several state-of-the-art neural graph embedding methods are based on short random walks (stochastic processes) because of their ease of computation, simplicity in capturing complex local graph properties, scalability, and interpretibility.…

Graph is an usual representation of relational data, which are ubiquitous in manydomains such as molecules, biological and social networks. A popular approach to learningwith graph structured data is to make use of graph kernels, which…

An important characteristic of temporal graphs is how the directed arrow of time influences their causal topology, i.e., which nodes can possibly influence each other causally via time-respecting paths. The resulting patterns are often…

The rapid growth in feature dimension may introduce implicit associations between features and labels in multi-label datasets, making the relationships between features and labels increasingly complex. Moreover, existing methods often adopt…

The combinatorial refinement techniques have proven to be an efficient approach to isomorphism testing for particular classes of graphs. If the number of refinement rounds is small, this puts the corresponding isomorphism problem in a…

Graph Representation Learning (GRL) has emerged as a cornerstone technique for analysing complex, networked data across diverse domains, including biological systems, social networks, and data analysis. Traditional GRL methods often…

Link prediction is one important application of graph neural networks (GNNs). Most existing GNNs for link prediction are based on one-dimensional Weisfeiler-Lehman (1-WL) test. 1-WL-GNNs first compute node representations by iteratively…

The Weisfeiler-Lehman (WL) test is a widely used algorithm in graph machine learning, including graph kernels, graph metrics, and graph neural networks. However, it focuses only on the consistency of the graph, which means that it is unable…

While Graph Neural Networks (GNNs) have achieved remarkable results in a variety of applications, recent studies exposed important shortcomings in their ability to capture the structure of the underlying graph. It has been shown that the…

Persistent homology (PH) has recently emerged as a powerful tool for extracting topological features. Integrating PH into machine learning and deep learning models enhances topology awareness and interpretability. However, most PH methods…

We focus on graph classification using a graph neural network (GNN) model that precomputes the node features using a bank of neighborhood aggregation graph operators arranged in parallel. These GNN models have a natural advantage of reduced…

The Weisfeiler-Leman (WL) algorithms form a family of incomplete approaches to the graph isomorphism problem. They recently found various applications in algorithmic group theory and machine learning. In fact, the algorithms form a…

In this work, Transition Probability Matrix (TPM) is proposed as a new method for extracting the features of nodes in the graph. The proposed method uses random walks to capture the connectivity structure of a node's close neighborhood. The…

The task of representing entire graphs has seen a surge of prominent results, mainly due to learning convolutional neural networks (CNNs) on graph-structured data. While CNNs demonstrate state-of-the-art performance in graph classification…

Graph neural networks (GNNs) are a powerful architecture for tackling graph learning tasks, yet have been shown to be oblivious to eminent substructures such as cycles. We present TOGL, a novel layer that incorporates global topological…

In this paper we combine many of the standard and more recent algebraic techniques for testing isomorphism of finite groups (GpI) with combinatorial techniques that have typically been applied to Graph Isomorphism. In particular, we show…

Subgraph representation learning has been effective in solving various real-world problems. However, current graph neural networks (GNNs) produce suboptimal results for subgraph-level tasks due to their inability to capture complex…

The color refinement algorithm is mainly known as a heuristic method for graph isomorphism testing. It has surprising but natural characterizations in terms of, for example, homomorphism counts from trees and solutions to a system of linear…

Graph Neural Networks (GNNs) are limited in their expressive power, struggle with long-range interactions and lack a principled way to model higher-order structures. These problems can be attributed to the strong coupling between the…