Molecular mechanics methods are widely-used for simulations of biomolecules. A molecular topology file containing all atom types, which depend on the chemical environment, must be constructed. MKTOP ...
Abstract: Understanding the underlying graph structure of a nonlinear map over a particular domain is essential in evaluating its potential for real applications. In this paper, we investigate the ...
Department of Materials Science and Engineering, City University of Hong Kong, Kowloon 999077, Hong Kong China Department of Physics, City University of Hong Kong, Kowloon 999077, Hong Kong China ...
Abstract: Dynamic networks are used in a wide range of fields, including social network analysis, recommender systems and epidemiology. Representing complex networks as structures changing over time ...
Pre-training Graph Model Phase. In the pre-training phase, we employ link prediction as the self-supervised task for pre-training the graph model. Producer Phase. In the Producer phase, we employ LLM ...
Introduction: The natural, tonotopic frequency distribution of the inner ear is typically described by the Greenwood function, which logarithmically projects the audible frequency spectrum onto the ...
Before you begin, ensure that you have Anaconda or Miniconda installed on your system. This guide assumes that you have a CUDA-enabled GPU. Benchmark the GCN model on the example Reddit dataset under ...
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