Network alignment is an important bridge to understanding human protein-protein interactions (PPIs) and functions through model organisms. However, the underlying subgraph isomorphism problem complicates and increases the time required to align protein interaction networks (PINs). Parallel computing technology is an effective solution to the challenge of aligning large-scale networks via sequential computing. In this study, the typical Hungarian-Greedy Algorithm (HGA) is used as an example for PIN alignment. The authors propose a HGA with 2-nearest neighbours (HGA-2N) and implement its graphics processing unit (GPU) acceleration. Numerical experiments demonstrate that HGA-2N can find alignments that are close to those found by HGA while dramatically reducing computing time. The GPU implementation of HGA-2N optimises the parallel pattern, computing mode and storage mode and it improves the computing time ratio between the CPU and GPU compared with HGA when large-scale networks are considered. By using HGA-2N in GPUs, conserved PPIs can be observed, and potential PPIs can be predicted. Among the predictions based on 25 common Gene Ontology terms, 42.8% can be found in the Human Protein Reference Database. Furthermore, a new method of reconstructing phylogenetic trees is introduced, which shows the same relationships among five herpes viruses that are obtained using other methods.

It is challenging to obtain reliable and optimal mapping between networks for alignment algorithms when both nodal and topological structures are taken into consideration due to the underlying NP-hard problem. Here, we introduce an adaptive hybrid algorithm that combines the classical Hungarian algorithm and the Greedy algorithm (HGA) for the global alignment of biomolecular networks. With this hybrid algorithm, every pair of nodes with one in each network is first aligned based on node information (e.g., their sequence attributes) and then followed by an adaptive and convergent iteration procedure for aligning the topological connections in the networks. For four well-studied protein interaction networks, i.e., C.elegans, yeast, D.melanogaster, and human, applications of HGA lead to improved alignments in acceptable running time. The mapping between yeast and human PINs obtained by the new algorithm has the largest value of common gene ontology (GO) terms compared to those obtained by other existing algorithms, while it still has lower Mean normalized entropy (MNE) and good performances on several other measures. Overall, the adaptive HGA is effective and capable of providing good mappings between aligned networks in which the biological properties of both the nodes and the connections are important.