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Many-objective optimization problems (MaOPs) are challenging tasks involving optimizing many conflicting objectives simultaneously. Decomposition-based many-objective evolutionary algorithms have effectively maintained a balance between convergence and diversity in recent years. However, these algorithms face challenges in accurately approximating the complex geometric structure of irregular Pareto fronts (PFs). In this paper, an information entropy-driven evolutionary algorithm based on reinforcement learning (RL-RVEA) for many-objective optimization with irregular Pareto fronts is proposed. The proposed algorithm leverages reinforcement learning to guide the evolution process by interacting with the environment to learn the shape and features of PF, which adaptively adjusts the distribution of reference vectors to cover the PFs structure effectively. Moreover, an information entropy-driven adaptive scalarization approach is designed in this paper to reflect the diversity of nondominated solutions, which facilitates the algorithm to balance multiple competing objectives adaptively and select solutions efficiently while maintaining individual diversity. To verify the effectiveness of the proposed algorithm, the RL-RVEA compared with seven state-of-the-art algorithms on the DTLZ, MaF, and WFG test suites and four real-world MaOPs. The results of the experiments demonstrate that the suggested algorithm provides a novel and practical method for addressing MaOPs with irregular PFs. • A novel RL-RVEA addresses many-objective optimization with irregular pareto fronts. • A reinforcement learning-based adaptive reference vector to guide the direction of convergence. • A scalarization approach preserves the diversity of solutions for next generation. • The RL-RVEA outperforms seven advanced many-objective optimization algorithms. [ABSTRACT FROM AUTHOR]

Molecules with strong two-photon absorption (TPA) are important in many advanced applications such as upconverted laser and photodynamic therapy, but their design is hampered by the high cost of experimental screening and accurate quantum chemical (QC) calculations. Here a systematic study is performed by collecting an experimental TPA database with "900 molecules, analyzing with interpretable machine learning (ML) the key molecular features explaining TPA magnitudes, and building a fast ML model for predictions. The ML model has prediction errors of similar magnitude compared to experimental and affordable QC methods errors and has the potential for high-throughput screening as additionally validated with the new experimental measurements. ML feature analysis is generally consistent with common beliefs which is quantified and rectified. The most important feature is conjugation length followed by features reflecting the effects of donor and acceptor substitution and coplanarity. [ABSTRACT FROM AUTHOR]