Machine learning interatomic potentials (MLIPs) provide a computationally efficient alternative to quantum mechanical simulations for predicting material properties. Message-passing graph neural networks, commonly used in these MLIPs, rely on local descriptor-based symmetry functions to model atomic interactions. However, such local descriptor-based approaches struggle with systems exhibiting long-range interactions, charge transfer, and compositional heterogeneity. In this work, we develop a new equivariant MLIP incorporating long-range Coulomb interactions through explicit treatment of electronic degrees of freedom, specifically global charge distribution within the system. This is achieved using a charge equilibration scheme based on predicted atomic electronegativities. We systematically evaluate our model across a range of benchmark periodic and non-periodic datasets, demonstrating that it outperforms both short-range equivariant and long-range invariant MLIPs in energy and force predictions. Our approach enables more accurate and efficient simulations of systems with long-range interactions and charge heterogeneity, expanding the applicability of MLIPs in computational materials science.

Community detection has been one of the central problems in network studies and directed network is particularly challenging due to asymmetry among its links. In this paper, we found that incorporating the direction of links reveals new perspectives on communities regarding to two different roles, source and terminal, that a node plays in each community. Intriguingly, such communities appear to be connected with unique spectral property of the graph Laplacian of the adjacency matrix and we exploit this connection by using regularized SVD methods. We propose harvesting algorithms, coupled with regularized SVDs, that are linearly scalable for efficient identification of communities in huge directed networks. The proposed algorithm shows great performance and scalability on benchmark networks in simulations and successfully recovers communities in real network applications.