no code implementations • 26 Sep 2022 • Michael Schaarschmidt, Morgane Riviere, Alex M. Ganose, James S. Spencer, Alexander L. Gaunt, James Kirkpatrick, Simon Axelrod, Peter W. Battaglia, Jonathan Godwin
We present evidence that learned density functional theory (``DFT'') force fields are ready for ground state catalyst discovery.
no code implementations • ICLR 2022 • Jonathan Godwin, Michael Schaarschmidt, Alexander L Gaunt, Alvaro Sanchez-Gonzalez, Yulia Rubanova, Petar Veličković, James Kirkpatrick, Peter Battaglia
We introduce “Noisy Nodes”, a very simple technique for improved training of GNNs, in which we corrupt the input graph with noise, and add a noise correcting node-level loss.
Initial Structure to Relaxed Energy (IS2RE), Direct Molecular Property Prediction +1
1 code implementation • 15 Jun 2021 • Jonathan Godwin, Michael Schaarschmidt, Alexander Gaunt, Alvaro Sanchez-Gonzalez, Yulia Rubanova, Petar Veličković, James Kirkpatrick, Peter Battaglia
From this observation we derive "Noisy Nodes", a simple technique in which we corrupt the input graph with noise, and add a noise correcting node-level loss.
Ranked #4 on Initial Structure to Relaxed Energy (IS2RE) on OC20
no code implementations • NeurIPS 2017 • Yee Whye Teh, Victor Bapst, Wojciech Marian Czarnecki, John Quan, James Kirkpatrick, Raia Hadsell, Nicolas Heess, Razvan Pascanu
Moreover, the proposed learning process is more robust and more stable---attributes that are critical in deep reinforcement learning.
24 code implementations • 2 Dec 2016 • James Kirkpatrick, Razvan Pascanu, Neil Rabinowitz, Joel Veness, Guillaume Desjardins, Andrei A. Rusu, Kieran Milan, John Quan, Tiago Ramalho, Agnieszka Grabska-Barwinska, Demis Hassabis, Claudia Clopath, Dharshan Kumaran, Raia Hadsell
The ability to learn tasks in a sequential fashion is crucial to the development of artificial intelligence.
Ranked #3 on Continual Learning on F-CelebA (10 tasks)
no code implementations • NeurIPS 2016 • Kieran Milan, Joel Veness, James Kirkpatrick, Michael Bowling, Anna Koop, Demis Hassabis
We introduce the Forget-me-not Process, an efficient, non-parametric meta-algorithm for online probabilistic sequence prediction for piecewise stationary, repeating sources.
11 code implementations • 15 Jun 2016 • Andrei A. Rusu, Neil C. Rabinowitz, Guillaume Desjardins, Hubert Soyer, James Kirkpatrick, Koray Kavukcuoglu, Razvan Pascanu, Raia Hadsell
Learning to solve complex sequences of tasks--while both leveraging transfer and avoiding catastrophic forgetting--remains a key obstacle to achieving human-level intelligence.
1 code implementation • 19 Nov 2015 • Andrei A. Rusu, Sergio Gomez Colmenarejo, Caglar Gulcehre, Guillaume Desjardins, James Kirkpatrick, Razvan Pascanu, Volodymyr Mnih, Koray Kavukcuoglu, Raia Hadsell
Policies for complex visual tasks have been successfully learned with deep reinforcement learning, using an approach called deep Q-networks (DQN), but relatively large (task-specific) networks and extensive training are needed to achieve good performance.