Configuration Interaction Guided Sampling with Interpretable Restricted Boltzmann Machine

We propose a data-driven approach using a Restricted Boltzmann Machine (RBM) to solve the Schrödinger equation in configuration space. Traditional Configuration Interaction (CI) methods construct the wavefunction as a linear combination of Slater determinants, but this becomes computationally expensive due to the factorial growth in the number of configurations. Our approach extends the use of a generative model such as the RBM by incorporating a taboo list strategy to enhance efficiency and con...