Pozdnyakov, Sergey N.
- Smooth, exact rotational symmetrization for deep learning on point clouds
2023/05/30 by Pozdnyakov, Sergey N., Ceriotti, Michele · 12 citations
#Chemical Physics (physics.chem-ph) #Computer Vision and Pattern Recognition (cs.CV) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Materials Science (cond-mat.mtrl-sci)
- Incompleteness of graph neural networks for points clouds in three dimensions
2022/01/18 by Sergey N. Pozdnyakov, Pozdnyakov, Sergey N., Michele Ceriotti +1 · 2 citations
Computer Science · Materials Science · #Advanced Graph Neural Networks #Chemical Physics (physics.chem-ph) #Computational Drug Discovery Methods #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Machine Learning in Materials Science
- Local invertibility and sensitivity of atomic structure-feature mappings
2021/09/23 by Pozdnyakov, Sergey N., Zhang, Liwei, Ortner, Christoph +2 · 1 citation
#Chemical Physics (physics.chem-ph) #FOS: Physical sciences