We study a graph classification problem involving over 20 million graphs, arising from high-order perturbative computations of correlators in planar $\mathcal{N}=4$ super-Yang--Mills, a model closely related to the theory of the strong nuclear force. We benchmark graph neural networks, including graph transformers, achieving robust generalization to larger graphs with up to $99.996\%$ ROC AUC. Then, we analyze how the models can be used to gain a computational speedup compared to the traditional graphical bootstrap algorithm, through shrinking the redundant data by up to $85.5\%$ at the level of denominator graphs. Finally, we study the embeddings of the models to investigate their interpretability.
The coupled ghost and gluon Dyson--Schwinger equations (DSEs) of four-dimensional Landau-gauge Yang--Mills (YM) theory are solved with a neural representation trained only from renormalized equation residuals. The neural and fixed-point solutions agree at the percent level and re…
Curvature notions on graphs, particularly Ollivier-Ricci and Forman, have emerged as powerful tools for addressing fundamental issues in Graph Neural Networks (GNNs) such as oversmoothing and oversquashing, but rely almost exclusively on local edge-level comparisons and therefore…
Accurate fault location is critical for distribution network reliability. However, increasing distributed energy resource (DER) penetration complicates fault location due to intermittent generation and bidirectional power flows that reshape fault signatures. Spatio-Temporal Graph…
Chemists and materials scientists increasingly use machine learning models, such as graph neural networks (GNNs), to predict properties of molecules and the outcomes of their reactions. Beyond predictive performance, understanding how these models organize chemical information in…
High-entropy perovskite oxides (HEPOs) represent a chemically complex class of materials with promising functional properties, yet their vast compositional space and, chemical/structural disorder pose significant challenge for accurate property prediction. Graph neural networks (…
Estimating heat-related mortality risk is a core task in environmental epidemiology, typically addressed with Distributed Lag Non-linear Models (DLNMs); interpretable exposure-response surfaces fitted to temperature-mortality time series. DLNMs are effective but ignore demographi…