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Honegumi (“ho-nay-goo-mee”), which means “skeletal framework” in Japanese, is a package for interactively creating minimal working examples for advanced Bayesian optimization topics.

Tip

If you’re new to Bayesian optimization, watch A Gentle Introduction to Bayesian Optimization

Real-world chemistry and materials science optimization tasks are complex! Noise, multiple fidelities, objectives, tasks, parameters, parameter types, and constraints riddle our optimization campaigns. However, applications of state-of-the-art algorithms to these materials science tasks have been limited, even for veteran materials informatics practitioners. Other logistical issues arise, such as using existing data, embedding physical descriptors, and ad-hoc modification of search spaces. To address these challenges, we present Honegumi, an interactive script generator for materials-relevant Bayesian optimization using the Ax Platform.

Interact with Honegumi using the grid below! Select one option per row and watch the template dynamically appear. Click the corresponding badge to open a self-contained Google Colab notebook for the selected script. Click the corresponding badge to view the script source code directly. Hover your mouse over the 🛈 icon to the right of each row and explore our docs/tutorials to learn more about each option.