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Abstract Nature finds ways to realize multi-functional surfaces by modulating nano-scale patterns on their surfaces, enjoying transparent, bactericidal, and/or anti-fogging features. Therein height distributions of nanopatterns play a key role. Recent advancements in nanotechnologies can reach that ability via chemical, mechanical, or optical fabrications. However, they require laborious complex procedures, prohibiting fast mass manufacturing. This paper presents a computational framework to help design multi-functional nano patterns by light. The framework behaves as a surrogate model for the inverse design of nano distributions. The framework’s hybrid (i.e., human and artificial) intelligence-based approach helps learn plausible rules of multi-physics processes behind the UV-controlled nano patterning and enriches training data sets. Then the framework’s inverse machine learning (ML) model can describe the required UV doses for the target heights of liquid in nano templates. Thereby, the framework can realize multiple functionalities including the desired nano-scale color, frictions, and bactericidal properties. Feasibility test results demonstrate the promising capability of the framework to realize the desired height distributions that can potentially enable multi-functional nano-scale surface properties. This computational framework will serve as a multi-physics surrogate model to help accelerate fast fabrications of nanopatterns with light and ML.