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Found 4 papers, 1 papers with code
DPA-1: Pretraining of Attention-based Deep Potential Model for Molecular Simulation
Machine learning assisted modeling of the inter-atomic potential energy surface (PES) is revolutionizing the field of molecular simulation.
Fully Decentralized Model-based Policy Optimization with Networked Agents
Model-based RL is an effective approach for reducing sample complexity.
Model-based Reinforcement Learning
Reinforcement Learning (RL)
Non-Autoregressive Electron Redistribution Modeling for Reaction Prediction
Reliably predicting the products of chemical reactions presents a fundamental challenge in synthetic chemistry.
Non-autoregressive electron flow generation for reaction prediction
Our model achieves both an order of magnitude lower inference latency, with state-of-the-art top-1 accuracy and comparable performance on Top-K sampling.
