In this work, AuCuSe4 direct bandgap (Eg = 0.52 eV) semiconductor has been examined as a thermophotovoltaic (TPV) material. Initially, the electronic structure of AuCuSe4 compound has been investigated using first-principles calculations. The study reveals a semiconducting nature of AuCuSe4 with a narrow bandgap computed by DFT-MBJ (Density Functional Theory with Modified Becke-Johnson) method which is lower than the experimental value. The optical properties show significant aniso-tropic by AuCuSe4 absorption in the solar spectrum, favoring TPV growth orientation. Subsequently, a single-junction AuCuSe4 TPV cell has been presented employing a device transport model with an n-p structure, operating at the black body and cell temperatures of 1538 K and 300 K, respectively. Notably, machine learning (ML) techniques are utilized to investigate the significance of each parameter in the model, enhancing the understanding of the system’s behavior and design optimization. Through optimization, the performance of the TPV cell has been enhanced, resulting in an efficiency of 11.56 %, accompanied by the current at short circuit, JSC=9.22 A/cm2, voltage at the open circuit, VOC=0.49 V, and Fill factor, FF=80 %. These findings suggest that AuCuSe4 holds promise as a suitable material for creating high-performing TPV cells.