Corpus ID: 16025728

Deep Learning for Chemical Compound Stability Prediction

@inproceedings{Liu2016DeepLF,
  title={Deep Learning for Chemical Compound Stability Prediction},
  author={Ruoqian Liu and Ankit Agrawal and Wei-Keng Liao and Alok Choudhary},
  year={2016}
}
  • Ruoqian Liu, Ankit Agrawal, +1 author Alok Choudhary
  • Published 2016
  • This paper explores the idea of using deep neural networks with various architectures and a novel initialization method, to solve a critical topic in the field of materials science. Understanding the relationship between the composition and the property of materials is essential for accelerating the course of materials discovery. Data driven approaches using advanced machine learning to derive knowledge from that of existing compounds, and/or from simulations of nonexisting ones, have only… CONTINUE READING

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