Power Supply Induced Jitter (PSIJ) in High Bandwidth Memory (HBM) I/O Interface is Modeled, Analyzed, and Optimized for Different HBM Generations. Precise Models for VDDQ Power Distribution Networks (PDNs), Simultaneous Switching Current (SSC), and Jitter Sensitivities of the Clock and I/O Buffers Are Implemented for PSIJ Estimation. Compared to the SPICE, the Average Error Rate of the Estimated PSIJ is 4.26 %. the Critical Frequency Bands in the Jitter Spectrum Where Large Jitters Occur Are Derived by Comparing the Relative Impact of the Modeled Interface Factors in the Frequency Domain. for the Optimization, On-Chip and On-Interposer Decoupling Capacitor (Decap) Placement Strategies using Machine Learning (ML) Are Applied. the Decap Effects in the Critical Ranges Are Analyzed. Finally, based on the Integrated Analysis of the Limitation of the Decap Solution and All the I/O Interface Factors, the Major Challenges of High-Frequency PSIJ Are Characterized.