Abstract:Subset selection is a fundamental problem in combinatorial optimization, which has a wide range of applications such as influence maximization and sparse regression. The goal is to select a subset of limited size from a ground set in order to maximize a given objective function. However, the evaluation of the objective function in real-world scenarios is often noisy. Previous algorithms, including the greedy algorithm and multi-objective evolutionary algorithms POSS and PONSS, either struggle in noisy environments or consume excessive computational resources. In this paper, we focus on the noisy subset selection problem with a cardinality constraint, where the evaluation of a subset is noisy. We propose a novel approach based on Pareto Optimization with Robust Evaluation for noisy subset selection (PORE), which maximizes a robust evaluation function and minimizes the subset size simultaneously. PORE can efficiently identify well-structured solutions and handle computational resources, addressing the limitations observed in PONSS. Our experiments, conducted on real-world datasets for influence maximization and sparse regression, demonstrate that PORE significantly outperforms previous methods, including the classical greedy algorithm, POSS, and PONSS. Further validation through ablation studies confirms the effectiveness of our robust evaluation function.
Abstract:Peptide vaccines are growing in significance for fighting diverse diseases. Machine learning has improved the identification of peptides that can trigger immune responses, and the main challenge of peptide vaccine design now lies in selecting an effective subset of peptides due to the allelic diversity among individuals. Previous works mainly formulated this task as a constrained optimization problem, aiming to maximize the expected number of peptide-Major Histocompatibility Complex (peptide-MHC) bindings across a broad range of populations by selecting a subset of diverse peptides with limited size; and employed a greedy algorithm, whose performance, however, may be limited due to the greedy nature. In this paper, we propose a new framework PVD-EMO based on Evolutionary Multi-objective Optimization, which reformulates Peptide Vaccine Design as a bi-objective optimization problem that maximizes the expected number of peptide-MHC bindings and minimizes the number of selected peptides simultaneously, and employs a Multi-Objective Evolutionary Algorithm (MOEA) to solve it. We also incorporate warm-start and repair strategies into MOEAs to improve efficiency and performance. We prove that the warm-start strategy ensures that PVD-EMO maintains the same worst-case approximation guarantee as the previous greedy algorithm, and meanwhile, the EMO framework can help avoid local optima. Experiments on a peptide vaccine design for COVID-19, caused by the SARS-CoV-2 virus, demonstrate the superiority of PVD-EMO.