49 citations · 217 across the 22 of their papers we have counts for
4 papers · 1 filter
AI for Interpretable Chemistry: Predicting Radical Mechanistic Pathways via Contrastive Learning
Mohammadamin Tavakoli, Yin Ting T. Chiu, Alexander Shmakov +3
Deep learning-based reaction predictors have undergone significant architectural evolution. However, their reliance on reactions from the US Patent Office results in a lack of inte…
Interpretable Joint Event-Particle Reconstruction for Neutrino Physics at NOvA with Sparse CNNs and Transformers
Alexander Shmakov, Alejandro Yankelevich, Jianming Bian +1
The complex events observed at the NOvA long-baseline neutrino oscillation experiment contain vital information for understanding the most elusive particles in the standard model.…
Skip Training for Multi-Agent Reinforcement Learning Controller for Industrial Wave Energy Converters
Soumyendu Sarkar, Vineet Gundecha, Sahand Ghorbanpour +4
Recent Wave Energy Converters (WEC) are equipped with multiple legs and generators to maximize energy generation. Traditional controllers have shown limitations to capture complex…
Rxn Hypergraph: a Hypergraph Attention Model for Chemical Reaction Representation
Mohammadamin Tavakoli, Alexander Shmakov, Francesco Ceccarelli +1
It is fundamental for science and technology to be able to predict chemical reactions and their properties. To achieve such skills, it is important to develop good representations…