Accurate and reliable daily reservoir inflow forecast plays an essential role in several applications involving the management and planning of water resources, such as hydroelectric generation, flood control, water supply, and basin ecological dispatching. Runoff usually exhibits strong non-linearity, high uncertainty, and spatial and temporal variability. Existing techniques fail to capture complete dynamics change processes effectively. A data-driven forecasting framework for daily reservoir inflow time series considering the flood peaks based on a multi-head attention mechanism was developed, referred to as the GWOCS-VMD-CNN-Transformer (GCVCT). First, the model utilize Grey Wolf Optimizer coupled with Cuckoo Search (GWO-CS) algorithms to optimize parameters in variational mode decomposition model (VMD). This approach helps obtain highly correlated intrinsic mode function (IMF) components, enhancing the frequency resolution of the input dataset. The proposed method overcomes the bottleneck of other available methods by decomposing the time series to capture the main long-term and short-term properties of hydrological processes. Second, the convolution neural network and Transformer (CNN-Transformer) are based on a multi-head attention mechanism as the objective predictive method. Finally, six evaluation indicators verify the performance of the proposed approach. The approach’s reliability was evaluated using the historical daily reservoir inflow data from the Xiluodu (XLD) and Wudongde (WDD) reservoirs in the Jinsha River Basin, China. Several single and hybrid models were developed for comparative analysis. The results indicate that the proposed ensemble approach fits better than other developed model methods. The GCVCT model showed excellent performance in forecasting the inflows of XLD and WDD reservoirs, with NSE values of 0.985 and 0.984, respectively. Furthermore, the GCVCT framework forecast capacity for peak inflow was further verified through discussion and analysis of the 48 peak flows during the validation period, consistently outperforming other models in predicting peak flow for both study reservoirs. This framework provides an effective method for the scientific optimal scheduling of hydropower reservoirs, enabling more sustainable and efficient management practices. It also demonstrates the potential of powerful deep-learning models in intelligent hydrological forecasting.