Training DNN for Molecular Systems – Challenges in Optimization.

On November 18, 2020, I spoke at AIChE Annual Meeting about the work – Improved Training on Improved Training of Graph-Embedding Based Neural Network Energy Functions for Catalysis. Video Presentation: link-to-Youtube Co-Authors: Prof. Srinivas Rangarajan, Prof. Martin Takac. Abstract: Complex reaction networks comprising of thousands of intermediates and reactions are ubiquitous in…

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