Transformers trained on ADAPT-VQE data generate imipramine ground-state circuits in seconds at roughly reference accuracy — and beat the training data after reinforcement learning — though real-hardware energies still miss by 200-400 mHa.
Frank C., Wood, G.P.F., Zelesky, T., Sluggett, G.W., Mustakis, J., Green, W.H.: Kinetic modeling of api oxidation: (1) the aibn/h 2o/ch3oh radical “soup”
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Learning to Prepare Molecular Ground States with Transformer Models
Transformers trained on ADAPT-VQE data generate imipramine ground-state circuits in seconds at roughly reference accuracy — and beat the training data after reinforcement learning — though real-hardware energies still miss by 200-400 mHa.