Aug 2026· Zenodo (CERN European Organization for Nuclear Research)
Abstract
This paper introduces a novel approach to modeling complex systems utilizing multi-scale graph neural networks (MS-GNNs). Complex systems, characterized by interconnected components operating at varying scales, pose significant challenges for traditional modeling techniques. This research proposes a framework that decomposes a complex system into sub-systems defined by their respective scales. Each sub-system is then represented as a graph, and a graph neural network (GNN) is applied to learn patterns and relationships within that scale. A key innovation lies in the multi-scale fusion mechanism, which intelligently integrates information from these GNNs at different scales, ultimately constructing a comprehensive representation of the entire system. The core claim is the design of an MS-GNN capable of capturing the interconnectedness of complex systems across multiple scales, facilitating accurate modeling and prediction. The proposed methodology offers a fundamentally new approach combining the strengths of graph neural networks and multi-scale analysis, paving the way for improved understanding and prediction of complex phenomena.
Agile methods continue to gain popularity. In particular, the Scrum method appears to be on the verge of becoming a de-facto standard in the industry, leading the so called Agile movement. While there are success stories and recommendations, there is little scientifically valid evidence of the challenges in the adoptio...
A. Marchenko, P. Abrahamsson· Agile Conference· 59 citations· ⚡11
A comprehensive taxonomy of the challenges faced when a medium-scale organization decided to adopt software platforms is provided, namely: business challenges, organizational challenges, technical challenges, and people challenges.
Yaser Ghanam, F. Maurer, P. Abrahamsson· Information and Software Tec...· 41 citations· ⚡3
It is shown that high article processing charges are not sufficiently justified by the publishers, which often lack transparency and may prevent authors from adopting OA.
D. Graziotin, Xiaofeng Wang, P. Abrahamsson· Scientometrics· 21 citations· ⚡1
MCGLPPI, a novel geometric representation learning framework that combines graph neural networks (GNNs) with the MARTINI molecular coarse-grained (CG) model to predict overall PPI properties accurately and efficiently, offers an effective and efficient solution for PPI overall property predictions.
Yang Yue, Shu Li, Yihua Cheng et al.· bioRxiv· 15 citations
PepPCBench enables a robust evaluation of PFNN-based methods and supports their continued development for peptide-protein structure prediction, and highlights the influence of peptide length, conformational flexibility, and training set similarity on prediction accuracy.
Si-Long Zhai, Huifeng Zhao, Ji-Ke Wang et al.· Journal of Chemical Informat...· 13 citations· ⚡1
Abstract Predicting properties from coordinate–category data—sets of vectors paired with categorical information—is fundamental to computational science, manifesting in materials science as predicting formation energies or elastic moduli from crystal structures. While large language models (LLMs) have increasingly been...
Nawaf Alampara, Santiago Miret, Kevin Maik Jablonka· Nature Computational Science· 13 citations
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