Jie He

Thermoelectric screening needs the full zT-versus-temperature curve, because peak height and position set the usable operating window, yet measuring S, σ and κ point by point is costly. A multi-task model with zT as the principal task and S, σ, κ and PF as auxiliary tasks takes only composition descriptors and temperature, predicts all five properties and reconstructs zT from them. In ten-fold material-grouped held-out evaluation zT reaches R² = 0.8765 with peak-temperature MAE of 14.07 K, and 24 external points from four literature materials give R² = 0.9755.

Thermoelectric screening needs the full zT-versus-temperature curve, because peak height and position set the usable operating window, yet measuring S, σ and κ point by point is costly. A multi-task model with zT as the principal task and S, σ, κ and PF as auxiliary tasks takes only composition descriptors and temperature, predicts all five properties and reconstructs zT from them. In ten-fold material-grouped held-out evaluation zT reaches R² = 0.8765 with peak-temperature MAE of 14.07 K, and 24 external points from four literature materials give R² = 0.9755.