An interatomic potential, traditionally regarded as a mathematical function, serves to depict atomic interactions within molecules or solids by expressing potential energy concerning atom positions. These potentials are pivotal in materials science and engineering, facilitating atomic-scale simulations, predictive material behavior, accelerated discovery, and property optimization. Notably, the landscape is evolving with machine learning transcending conventional mathematical models. Various machine learning-based interatomic potentials, such as artificial neural networks, kernel-based methods, deep learning, and physics-informed models, have emerged, each wielding unique strengths and limitations. These methods decode the intricate connection between atomic configurations and potential energies, offering advantages like precision, adaptability, insights, and seamless integration. The transformative …