A baseline predictive maintenance method for a target device (TD) and a computer program product thereof are provided. Fresh samples which are generated when the target device produces workpieces just after maintenance are collected, and a new workpiece sample which is generated when the target device produces a new workpiece is collected. A plurality of modeling samples are used to build a TD baseline model in accordance with a conjecturing algorithm, wherein the modeling samples include the new workpiece sample and the fresh samples. A TD healthy baseline value for the new workpiece is computed by the TD baseline model, and a device health index (DHI), a baseline error index (BEI) and baseline individual similarity indices (ISIB) are computed, thereby achieving the goals of fault detection and classification (FDC) and predictive maintenance (PdM).