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Link Prediction with Continuous-Time Classical and Quantum Walks.

Mark GoldsmithHarto SaarinenGuillermo García-PérezJoonas MalmiMatteo A C RossiSabrina Maniscalco
Published in: Entropy (Basel, Switzerland) (2023)
Protein-protein interaction (PPI) networks consist of the physical and/or functional interactions between the proteins of an organism, and they form the basis for the field of network medicine. Since the biophysical and high-throughput methods used to form PPI networks are expensive, time-consuming, and often contain inaccuracies, the resulting networks are usually incomplete. In order to infer missing interactions in these networks, we propose a novel class of link prediction methods based on continuous-time classical and quantum walks. In the case of quantum walks, we examine the usage of both the network adjacency and Laplacian matrices for specifying the walk dynamics. We define a score function based on the corresponding transition probabilities and perform tests on six real-world PPI datasets. Our results show that continuous-time classical random walks and quantum walks using the network adjacency matrix can successfully predict missing protein-protein interactions, with performance rivalling the state-of-the-art.
Keyphrases
  • protein protein
  • small molecule
  • molecular dynamics
  • high throughput
  • energy transfer
  • physical activity
  • monte carlo