Incompleteness of Atomic Structure Representations von Pozdnyakov, Sergey N., Willatt, Michael J., Bartok, Albert P., Ortner, Christoph, Csanyi, Gabor, Ceriotti, Michele

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Comment on “Manifolds of quasi-constant SOAP and ACSF fingerprints and the resulting failure to machine learn four-body interactions” [J. Chem. Phys. 156, 034302 (2022)] von Pozdnyakov, Sergey N., Willatt, Michael J., Bartók, Albert P., Ortner, Christoph, Csányi, Gábor, Ceriotti, Michele

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Probing the effects of broken symmetries in machine learning von Langer, Marcel F, Pozdnyakov, Sergey N, Ceriotti, Michele

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Local invertibility and sensitivity of atomic structure-feature mappings von Pozdnyakov, Sergey N, Zhang, Liwei, Ortner, Christoph, Csányi, Gábor, Ceriotti, Michele

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Wigner kernels: Body-ordered equivariant machine learning without a basis von Bigi, Filippo, Pozdnyakov, Sergey N., Ceriotti, Michele

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Incompleteness of graph neural networks for points clouds in three dimensions von Pozdnyakov, Sergey N, Ceriotti, Michele

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Completeness of atomic structure representations von Nigam, Jigyasa, Pozdnyakov, Sergey N., Huguenin-Dumittan, Kevin K., Ceriotti, Michele

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Plato’s «soteriology» in the context of classical yoga von Pozdnyakov, Sergey N.

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Smooth, exact rotational symmetrization for deep learning on point clouds von Pozdnyakov, Sergey N, Ceriotti, Michele

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Incompleteness of graph neural networks for points clouds in three dimensions von Pozdnyakov, Sergey N, Ceriotti, Michele

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Wigner kernels: body-ordered equivariant machine learning without a basis von Bigi, Filippo, Pozdnyakov, Sergey N, Ceriotti, Michele

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Probing the effects of broken symmetries in machine learning von Langer, Marcel F, Pozdnyakov, Sergey N, Ceriotti, Michele

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Smooth, exact rotational symmetrization for deep learning on point clouds von Pozdnyakov, Sergey N, Ceriotti, Michele

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Completeness of Atomic Structure Representations von Nigam, Jigyasa, Pozdnyakov, Sergey N, Huguenin-Dumittan, Kevin K, Ceriotti, Michele

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Incompleteness of graph neural networks for points clouds in three dimensions von Pozdnyakov, Sergey N, Ceriotti, Michele

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Comment on "Manifolds of quasi-constant SOAP and ACSF fingerprints and the resulting failure to machine learn four-body interactions" [J. Chem. Phys. 156, 034302 (2022)] von Pozdnyakov, Sergey N, Willatt, Michael J, Bartók, Albert P, Ortner, Christoph, Csányi, Gábor, Ceriotti, Michele

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Wigner kernels: body-ordered equivariant machine learning without a basis von Bigi, Filippo, Pozdnyakov, Sergey N, Ceriotti, Michele

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Comment on "Manifolds of quasi-constant SOAP and ACSF fingerprints and the resulting failure to machine learn four body interactions" von Pozdnyakov, Sergey N, Willatt, Michael J, Bartók, Albert P, Ortner, Christoph, Csányi, Gábor, Ceriotti, Michele

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Probing the effects of broken symmetries in machine learning von Langer, Marcel F, Pozdnyakov, Sergey N, Ceriotti, Michele

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Local invertibility and sensitivity of atomic structure-feature mappings von Zhang, Liwei, Csányi, Gábor, Pozdnyakov, Sergey N, Ortner, Christoph, Ceriotti, Michele

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