Due to various environmental regulations, the demand for natural gas, i.e., a clean energy, is expected to increase continuously. In terms of efficient storage and transportation of natural gas, liquefied natural gas has an advantageous volume of 1/600 compared to natural gas, but the materials that can be used at a cryogenic temperature of −163 °C are limited. A 9% nickel steel is a material recommended by IMO through IGC. It has excellent mechanical properties compared to other cryogenic materials, but its use has been limited due to its disadvantages in arc welding. Therefore, the main topic of this study is the automatic welding of 9% nickel steel using fiber laser and its purpose is to predict the welding deformation during fiber laser welding. First, an investigation was conducted to find the fiber laser welding heat source. A model that can cover all the models in prior studies such as curve, exponential, conical, conical-conical combination, and conical-cylinder combination models was proposed and the heat source model was constructed in a multi-layer format. Heat transfer analysis was performed using the ratio of a heat source radius and heat energy of each layer as a variable and the pass or failure of a heat source was determined by comparing the analysis results to the experimental results. By changing the variables in conjunction with the optimization algorithm, the main parameters of a passed heat source model were verified in a short period of time. In addition, the tendency of parameters according to the welding speed was checked.