HI-NQS uses a dual-channel autoregressive Transformer NQS inside an iterative sample-diagonalize-update loop to reach chemical accuracy on small molecules and nitrogen active spaces with better determinant scaling than CIPSI.
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An Iterative Dual-Channel Neural Quantum State Algorithm for Selected Configuration Interaction
HI-NQS uses a dual-channel autoregressive Transformer NQS inside an iterative sample-diagonalize-update loop to reach chemical accuracy on small molecules and nitrogen active spaces with better determinant scaling than CIPSI.