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Related Concept Videos

Protein-protein Interfaces02:04

Protein-protein Interfaces

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Many proteins form complexes to carry out their functions, making protein-protein interactions (PPIs) essential for an organism's survival. Most PPIs are stabilized by numerous weak noncovalent chemical forces. The physical shape of the interfaces determines the way two proteins interact. Many globular proteins have closely-matching shapes on their surfaces, which form a large number of weak bonds. Additionally, many PPIs occur between two helices or between a surface cleft and a...
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A dual-population multi-objective evolutionary algorithm driven by generative adversarial networks for benchmarking

Honglei Cheng1, Gai-Ge Wang1, Liyan Chen2

  • 1School of Computer Science and Technology, Ocean University of China, Qingdao, China.

Computers in Biology and Medicine
|November 29, 2023
PubMed
Summary
This summary is machine-generated.

This study introduces a dual-population evolutionary algorithm (DGMOEA) to overcome model collapse in multi-objective optimization problems (MOPs). DGMOEA enhances solution quality and diversity, significantly outperforming existing methods on benchmark functions and protein-peptide docking.

Keywords:
Deep learningDual-populationEvolutionary algorithmGenerative adversarial networkMulti-objective optimizationProtein-peptide docking

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Area of Science:

  • Computational Science and Engineering
  • Bioinformatics
  • Artificial Intelligence

Background:

  • Multi-objective optimization problems (MOPs) involve optimizing multiple conflicting objectives simultaneously.
  • Model-based evolutionary algorithms (MBEAs) utilize machine learning but suffer from model collapse, leading to local optima and reduced diversity.
  • Addressing model collapse is crucial for improving the performance of MBEAs in complex optimization tasks.

Purpose of the Study:

  • To propose a novel dual-population multi-objective evolutionary algorithm driven by Wasserstein generative adversarial network with gradient penalty (DGMOEA).
  • To enhance the generation of high-quality solutions and improve diversity in MOPs.
  • To evaluate DGMOEA's effectiveness on benchmark functions and a real-world protein-peptide docking problem.

Main Methods:

  • Developed DGMOEA, a dual-population algorithm leveraging Wasserstein generative adversarial networks with gradient penalty.
  • Coordinated dual populations to collaboratively generate superior candidate solutions.
  • Compared DGMOEA against seven state-of-the-art algorithms on 20 multi-objective benchmark functions and the LEADS-PEP dataset.

Main Results:

  • DGMOEA demonstrated significant improvements on MOPs, outperforming comparative algorithms.
  • Achieved superior performance in terms of Inverted Generational Distance (IGD) and Hypervolume (HV) metrics on 15 and 18 out of 20 benchmarks, respectively.
  • Effectively reduced Root Mean Square Deviation (RMSD) in protein-peptide docking, yielding competitive results on the LEADS-PEP dataset.

Conclusions:

  • DGMOEA effectively addresses model collapse issues in MBEAs, enhancing solution quality and diversity.
  • The proposed algorithm offers a robust and efficient approach for solving complex MOPs.
  • DGMOEA shows strong potential for applications in computational biology, such as protein-peptide docking.