Abstract: Artificial Intelligence (AI) is transforming the prediction and optimization of advanced energy materials by enabling accurate, scalable modeling beyond traditional methods. This review evaluates recent AI applications—including Graph Neural Networks (GNNs), Convolutional and Recurrent Neural Networks (CNNs, RNNs), tree-based ensembles, and Gaussian Process Regression (GPR)—for forecasting performance metrics such as overpotential, conductivity, capacity, and degradation. GNNs achieved R2 > 0.90 in structure-sensitive tasks; LSTM models predicted battery degradation with <10% error; and tree-based models balanced accuracy (MAE < 0.15 V) with interpretability. GPR excelled in low-data regimes via uncertainty quantification. Hybrid and physics-informed models improved generalizability and data efficiency. While challenges remain in data quality and integration with experiments, emerging strategies like autonomous labs and generative design offer promising advances. This review provides comparative benchmarks and highlights pathways for robust AI-driven materials discovery.