Since the discovery of X-rays in 1895, they have been widely used in medical imaging, crystallography, and astronomy. Numerous experimental techniques in materials science rely on X-rays, including X-ray diffraction (XRD), X-ray fluorescence (XRF), X-ray photoelectron spectroscopy (XPS), small-angle X-ray scattering (SAXS), X-ray tomography (XRT), X-ray reflectometry (XRR), grazing incidence X-ray diffraction (GIXRD), and resonant inelastic X-ray scattering (RIXS). Among these, XRD plays a crucial role in determining atomic structures and uncovering the mechanisms underlying mechanical strength, electronic properties, optical behavior, and chemical reactivity. However, crystal structure determination currently involves extensive trial and error as well as expert knowledge. The main challenge lies in the reduction of chemical and three-dimensional structural information into one-dimensional diffraction patterns, which causes the loss of phase information and complicates structure determination.