5 accepted papers
Automating molecular design using deep reinforcement learning (RL) has the potential to greatly accelerate the search for novel materials. Despite recent progress on leveraging graph representations to design molecules, such methods are fundamentally limited by the lack of three-dimensional (3D) inf…
Automating molecular design using deep reinforcement learning (RL) holds the promise of accelerating the discovery of new chemical compounds. Existing approaches work with molecular graphs and thus ignore the location of atoms in space, which restricts them to 1) generating single organic molecules…
Leveraging the wealth of unlabeled data produced in recent years provides great potential for improving supervised models. When the cost of acquiring labels is high, probabilistic active learning methods can be used to greedily select the most informative data points to be labeled. However, for many…
Scarce data is a major challenge to scaling robot learning to truly complex tasks, as we need to generalize locally learned policies over different task contexts. Contextual policy search offers data-efficient learning and generalization by explicitly conditioning the policy on a parametric context…
While reinforcement learning has led to promising results in robotics, defining an informative reward function is challenging. Prior work considered including the human in the loop to jointly learn the reward function and the optimal policy. Generating samples from a physical robot and requesting hu…