AI Networking Cookbook: Practical recipes for AI-assisted network automation and development
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A novel GNN-based LP model via local clustering and subgraphs, termed LCS, is proposed to effectively address the heterogeneous characteristics inherent in complex BNs, along with the consequent challenges of asymmetry and hierarchical modularity.
The results highlight the promise of CRG-based RxnCLF as a scalable reaction foundation model, with the potential to generalize across broader reaction spaces and support diverse downstream reaction informatics tasks, including regioselectivity prediction, enantioselectivity prediction, and reaction condition optimizat...
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