Information Systems research increasingly relies on machine learning (ML) to predict outcomes in complex sociotechnical systems, yet predictive models are not designed to identify causal effects. This limitation is particularly critical in building retrofits, where unbiased estimates of energy savings are essential for climate policy and investment decisions. Because retrofit adoption is shaped by household and building characteristics that also affect energy consumption, predictive ML can yield biased effect estimates. This paper systematically benchmarks leading causal ML estimators, including metalearners (S-, T- and X-Learners) and DoubleML across multiple retrofit interventions. To enable this comparison, we construct a physically grounded simulation in which true treatment effects and realistic adoption biases are known. Results show that DoubleML achieves the lowest estimation errors, particularly for complex envelope retrofits. These findings demonstrate that orthogonalising the treatment assignment improves causal effect estimation and provides a methodological foundation for large-scale energy retrofit and policy evaluation.

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