The lattice matrix 𝐿 is a continuous variable representing the unit cell parameters, consisting of 3 × 3 matrix. To model the diffusion process of lattice matrix, Diffusion Probabilistic Model (DDPM) framework was adopted. In the forward process, Gaussian noise is added to the lattice matrix at each time is the cumulative product of noise schedule parameters where 𝛽 , ∈ (0, 1). Therefore, the noisy lattice at time step 𝑡, is computed as: Diffusion process for atom coordinate, 𝑿