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11/29/2022
AdsorbML: Accelerating Adsorption Energy Calculations with Machine Learning
Computational catalysis is playing an increasingly significant role in t...
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06/29/2022
Spherical Channels for Modeling Atomic Interactions
Modeling the energy and forces of atomic systems is a fundamental proble...
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06/17/2022
The Open Catalyst 2022 (OC22) Dataset and Challenges for Oxide Electrocatalysis
Computational catalysis and machine learning communities have made consi...
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12/04/2019
Plug and Play Language Models: a Simple Approach to Controlled Text Generation
Large transformer-based language models (LMs) trained on huge text corpo...
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10/18/2019
First-Order Preconditioning via Hypergradient Descent
Standard gradient descent methods are susceptible to a range of issues t...
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09/03/2019
LCA: Loss Change Allocation for Neural Network Training
Neural networks enjoy widespread use, but many aspects of their training...
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05/03/2019