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From Molecules to Materials: Pre-training Large Generalizable Models for Atomic Property Prediction.
Nima Shoghi
Adeesh Kolluru
John R. Kitchin
Zachary W. Ulissi
C. Lawrence Zitnick
Brandon M. Wood
Published in:
ICLR (2024)
Keyphrases
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prediction accuracy
complex systems
training set
statistical models
prediction model
multi layer perceptron
predictive model
neural network
prior knowledge
probabilistic model
object detection
neural network model
training algorithm