Sunil Kumar Maurya

Sunil Kumar Maurya, Xin Liu

With the rapidly improving reasoning abilities of Large Language Models (LLMs), there is also a rising demand to use them in a wide variety of domains. This brings about the need to carefully evaluate the limits of the capabilities of these models with various tests and benchmarks. Graph structures are ubiquitous in real-world data, and are often used to represent and analyze relationship patterns within data. Many benchmarks have already been proposed in the graph literature to test the reasoning ability of LLMs to follow and execute graph algorithms. However, due to the limited context length of LLMs, these benchmarks consist of very small graphs. In real-world data, the size of graphs can be significantly larger, and in many cases, not fully accessible. In this paper, we examine a class of problems that arises with very large graphs having limited accessibility. We propose a large graph benchmark dataset, EstGraph, and introduce four distinct tasks designed to estimate large graph properties. We evaluate the reasoning abilities of LLMs on these tasks using a wide variety of graph datasets. In addition, we provide task-specific prompt constructions based on random walk sampling of large graphs (up to millions of nodes) that effectively convey sufficient information to LLMs within the limits of context length.

Justin Dachille, Aurora Rossi, Sunil Kumar Maurya et al.

Computing node importance in networks is a long-standing fundamental problem that has driven extensive study of various centrality measures. A particularly well-known centrality measure is betweenness centrality, which becomes computationally prohibitive on large-scale networks. Graph Neural Network (GNN) models have thus been proposed to predict node rankings according to their relative betweenness centrality. However, state-of-the-art methods fail to generalize to high-diameter graphs such as road networks. We propose BRAVA-GNN, a lightweight GNN architecture that leverages the empirically observed correlation linking betweenness centrality to degree-based quantities, in particular multi-hop degree mass. This correlation motivates the use of degree masses as size-invariant node features and synthetic training graphs that closely match the degree distributions of real networks. Furthermore, while previous work relies on scale-free synthetic graphs, we leverage the hyperbolic random graph model, which reproduces power-law exponents outside the scale-free regime, better capturing the structure of real-world graphs like road networks. This design enables BRAVA-GNN to generalize across diverse graph families while using 54x fewer parameters than the most lightweight existing GNN baseline. Extensive experiments on 19 real-world networks, spanning social, web, email, and road graphs, show that BRAVA-GNN achieves up to 214% improvement in Kendall-Tau correlation and up to 70x speedup in inference time over state-of-the-art GNN-based approaches, particularly on challenging road networks.

Sunil Kumar Maurya, Xin Liu, Tsuyoshi Murata

Graph Neural Networks have become one of the indispensable tools to learn from graph-structured data, and their usefulness has been shown in wide variety of tasks. In recent years, there have been tremendous improvements in architecture design, resulting in better performance on various prediction tasks. In general, these neural architectures combine node feature aggregation and feature transformation using learnable weight matrix in the same layer. This makes it challenging to analyze the importance of node features aggregated from various hops and the expressiveness of the neural network layers. As different graph datasets show varying levels of homophily and heterophily in features and class label distribution, it becomes essential to understand which features are important for the prediction tasks without any prior information. In this work, we decouple the node feature aggregation step and depth of graph neural network, and empirically analyze how different aggregated features play a role in prediction performance. We show that not all features generated via aggregation steps are useful, and often using these less informative features can be detrimental to the performance of the GNN model. Through our experiments, we show that learning certain subsets of these features can lead to better performance on wide variety of datasets. We propose to use softmax as a regularizer and "soft-selector" of features aggregated from neighbors at different hop distances; and L2-Normalization over GNN layers. Combining these techniques, we present a simple and shallow model, Feature Selection Graph Neural Network (FSGNN), and show empirically that the proposed model achieves comparable or even higher accuracy than state-of-the-art GNN models in nine benchmark datasets for the node classification task, with remarkable improvements up to 51.1%.

Sunil Kumar Maurya, Xin Liu, Tsuyoshi Murata

Graph Neural Networks have emerged as a useful tool to learn on the data by applying additional constraints based on the graph structure. These graphs are often created with assumed intrinsic relations between the entities. In recent years, there have been tremendous improvements in the architecture design, pushing the performance up in various prediction tasks. In general, these neural architectures combine layer depth and node feature aggregation steps. This makes it challenging to analyze the importance of features at various hops and the expressiveness of the neural network layers. As different graph datasets show varying levels of homophily and heterophily in features and class label distribution, it becomes essential to understand which features are important for the prediction tasks without any prior information. In this work, we decouple the node feature aggregation step and depth of graph neural network and introduce several key design strategies for graph neural networks. More specifically, we propose to use softmax as a regularizer and "Soft-Selector" of features aggregated from neighbors at different hop distances; and "Hop-Normalization" over GNN layers. Combining these techniques, we present a simple and shallow model, Feature Selection Graph Neural Network (FSGNN), and show empirically that the proposed model outperforms other state of the art GNN models and achieves up to 64% improvements in accuracy on node classification tasks. Moreover, analyzing the learned soft-selection parameters of the model provides a simple way to study the importance of features in the prediction tasks. Finally, we demonstrate with experiments that the model is scalable for large graphs with millions of nodes and billions of edges.