2 citations · 3 across the 4 of their papers we have counts for
4 papers
Human-AI Co-Creation Approach to Find Forever Chemicals Replacements
Juliana Jansen Ferreira, Vinícius Segura, Joana G. R. Souza +4
Generative models are a powerful tool in AI for material discovery. We are designing a software framework that supports a human-AI co-creation process to accelerate finding replace…
Domain-agnostic and Multi-level Evaluation of Generative Models
Girmaw Abebe Tadesse, Jannis Born, Celia Cintas +4
While the capabilities of generative models heavily improved in different domains (images, text, graphs, molecules, etc.), their evaluation metrics largely remain based on simplifi…
Topology-Driven Generative Completion of Lacunae in Molecular Data
Dmitry Yu. Zubarev, Petar Ristoski
We introduce an approach to the targeted completion of lacunae in molecular data sets which is driven by topological data analysis, such as Mapper algorithm. Lacunae are filled in…
Sample-Efficient Generation of Novel Photo-acid Generator Molecules using a Deep Generative Model
Samuel C. Hoffman, Vijil Chenthamarakshan, Dmitry Yu. Zubarev +2
Photo-acid generators (PAGs) are compounds that release acids ( ions) when exposed to light. These compounds are critical components of the photolithography processes that are…