Scaler Transfer: A Simple and Data-efficient Simulation-to-Real Transfer Scheme for Materials
YUTA YAHAGI · Kiichi Obuchi · Fumihiko Kosaka · Kota Matsui
Abstract
Data scarcity and domain heterogeneity impede simulation-to-real (sim2real) transfer in materials data. We present a simple, data-efficient recipe that couples a domain transformation with two methods: (i) scaler transfer, which shares standardization parameters fitted on transformed source data to robustly scale scarce target data; and (ii) fine-tuning, which pretrains a predictor on the transformed source and adapts it to the target. On the prediction of electrocatalytic activity with the Open Catalyst Experiment 2024 datasets, the proposed method consistently surpasses baselines and achieves $R^2 > 0.81$ at the best condition. Critically, the scaler transfer significantly improves the performance of few-shot learning, scoring $R^2=0.43$ compared to $-0.062$ for a baseline. This method is not only easy to implement but also model- and task-agnostic, extending the coverage of sim2real transfer in materials informatics.
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