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Diffractive optical neural networks (DONNs) are emerging as high‐throughput and energy‐efficient hardware platforms to perform all‐optical machine learning (ML) in machine vision systems. However, the current demonstrated applications of DONNs are largely image classification tasks, which undermine the prospect of developing and utilizing such hardware for other ML applications. Herein, the deployment of an all‐optical reconfigurable DONNs system for scientific computing is demonstrated numerically and experimentally, including guiding two‐dimensional quantum material synthesis, predicting the properties of two‐dimensional quantum materials and small molecular cancer drugs, predicting the device response of nanopatterned integrated photonic power splitters, and the dynamic stabilization of an inverted pendulum with reinforcement learning. Despite a large variety of input data structures, a universal feature engineering approach is developed to convert categorical input features to images that can be processed in the DONNs system. The results open up new opportunities for employing DONNs systems for a broad range of ML applications.