The inverse kinematics problem of exoskeleton rehabilitation robots is challenging due to the lack of a standard analytical model, resulting in a complex and varied solution process. This complexity is especially pronounced in redundant upper limb exoskeleton robots, where inefficient solutions hinder the robot’s ability to adapt to the kinematic shape of the upper limb. This paper proposes a modeling and solution method based on multi-objective optimization to address the inverse kinematics of upper limb exoskeleton robots. We analyzed and validated this method using a redundant upper limb exoskeleton rehabilitation robot system developed by ourselves. First, we established a multi-objective inverse kinematics solution model by defining the end-position function, joint motion comfort function, system energy consumption function, motion safety, and human-like constraints. Then, the solution was designed based on the Improved Equilibrium Optimization (IEO) algorithm and validated its computational performance in terms of optimization ability, accuracy, and robustness. Finally, we experimentally tested the inverse kinematics solution model with the IEO algorithm on discrete objectives and continuous training trajectories using a redundant upper limb exoskeleton rehabilitation robot system. The results show that by incorporating the joint comfort function, system energy consumption function, and human-like constraints into the inverse kinematics model, we can not only quickly solve the inverse kinematics of redundant upper limb exoskeleton robots but also significantly improve the robot’s motion shape. Furthermore, it has better solution accuracy and stronger robustness than other algorithms when solving this inverse kinematics model based on the IEO algorithm.