Human-AI Co-Creation Approach to Find Forever Chemicals Replacements

Abstract

Generative models are a powerful tool in AI for material discovery. We are designing a solution that supports a human-AI co-creation process to accelerate finding replacements for the ``forever chemicals'' that considers the domain-specific tacit knowledge of subject matter experts. The first step in this process involves subject matter experts and a generative model that can generate new molecule designs. In this position paper, we discuss our hypothesis that these subject matter experts can benefit from a more iterative interaction with the generative model, asking for smaller samples and ``guiding'' the exploration of the discovery space with their knowledge.