270 citations · 714 across the 16 of their papers we have counts for
3 papers · 1 filter
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…
AI Explainability 360: Impact and Design
Vijay Arya, Rachel K. E. Bellamy, Pin-Yu Chen +17
As artificial intelligence and machine learning algorithms become increasingly prevalent in society, multiple stakeholders are calling for these algorithms to provide explanations.…
Augmenting Molecular Deep Generative Models with Topological Data Analysis Representations
Yair Schiff, Vijil Chenthamarakshan, Samuel Hoffman +2
Deep generative models have emerged as a powerful tool for learning useful molecular representations and designing novel molecules with desired properties, with applications in dru…