A search is presented for a heavy scalar () or pseudo-scalar () predicted by the two-Higgs-doublet models, where the is produced in association with a top-quark pair (), and with the decaying into a pair. Events are selected requiring exactly one or two opposite-charge electrons or muons. Data-driven corrections are applied to improve the modelling of the +jets background in the regime with high jet and -jet multiplicities. These include a novel multi-dimensional kinematic reweighting based on a neural network trained using data and simulations. An -mass parameterised graph neural network is trained to optimise the signal-to-background discrimination. In combination with the previous search performed by the ATLAS Collaboration in the multilepton final state, the observed upper limits on the production cross-section at 95% confidence level range between 14 fb and 5.0 fb for an with mass between 400 GeV and 1000 GeV, respectively. Assuming that both the and contribute to the cross-section, values below 1.7 or 0.7 are excluded for a mass of 400 GeV or 1000 GeV, respectively. The results are also used to constrain a model predicting the pair production of a colour-octet scalar, with the scalar decaying into a pair.

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