Utilizing absorbers with sub-wavelength thickness for low-frequency broadband noise control is a challenging problem, and rapid on-demand design of structures based on target noise frequency has received continuous attention. In this work, nested cavities are introduced into the typical neck-embedded Helmholtz resonator (NEHR) to obtain the nested neck-embedded Helmholtz resonator (NNEHR), which exhibits better cavity partitioning volume fraction and covers wider sound absorption band. Both theoretical analysis and simulations demonstrate that NNEHR possesses superior acoustic properties: generating an additional absorption peak, lowering the position of the first absorption peak by 11 %, and increasing the absorption coefficient by 4.7 %. Instantaneous velocity fields and thermal-viscous energy dissipation density illustrate that the efficient sound absorption of NNEHR originates from resonant dissipation in the neck and surrounding areas. Furthermore, by combining the theoretical model with genetic algorithms, three sets of NNEHR metasurfaces are optimized. The optimized structures achieve average absorption coefficients of 0.831, 0.913, and 0.885 in the range of 250–550 Hz, 400–1000 Hz, and 500–2000 Hz, with a thickness of only 50 mm, reflecting sub-wavelength, low-frequency broadband sound absorption characteristics. The excellent absorption stems from synergistic coupled weak resonances and higher-order absorption peaks of constituent units, and the overdamping characteristic ensures the realization of the optimal structure with minimal thickness. The contribution of weak resonant units to the total sound absorption performance can be measured by the surface admittance normalized by the total incident area, and the essence of the coupling effect is the strong interaction between units with adjacent absorbing frequencies. The proposed structure exhibits good sound absorption performance and great adjustability, while the genetic algorithm optimization based on the theoretical model demonstrates high efficiency and robustness, providing a methodology for the design and on-demand optimization of low-frequency broadband structures.