Solid Harmonic Wavelet Scattering for Predictions of Molecule Properties

Solid Harmonic Wavelet Scattering for Predictions of Molecule Properties

1 May 2018

Michael Eickenberg

Georgios Exarchakis

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Papers citing "Solid Harmonic Wavelet Scattering for Predictions of Molecule Properties"

15 / 15 papers shown

Title
The Maximal Overlap Discrete Wavelet Scattering Transform and Its Application in Classification Tasks Leonardo Fonseca Larrubia Pedro Alberto Morettin Chang Chiann 29 0 0 23 May 2025
Tackling the Accuracy-Interpretability Trade-off in a Hierarchy of Machine Learning Models for the Prediction of Extreme Heatwaves Alessandro Lovo Amaury Lancelin Corentin Herbert Freddy Bouchet AI4CE 209 0 0 01 Oct 2024
Energy Propagation in Scattering Convolution Networks Can Be Arbitrarily Slow Hartmut Führ Max Getter 82 2 0 07 Jun 2024
SE(3)-equivariant prediction of molecular wavefunctions and electronic densities Oliver T. Unke Mihail Bogojeski M. Gastegger Mario Geiger Tess E. Smidt Klaus-Robert Muller 86 94 0 04 Jun 2021
Equivariant Wavelets: Fast Rotation and Translation Invariant Wavelet Scattering Transforms A. Saydjari D. Finkbeiner 67 20 0 22 Apr 2021
Multi-scale approach for the prediction of atomic scale properties Andrea Grisafi Jigyasa Nigam Michele Ceriotti 29 31 0 27 Aug 2020
Wavelet Scattering Networks for Atomistic Systems with Extrapolation of Material Properties Paul Sinz M. Swift Xavier Brumwell Jialin Liu K. Kim Y. Qi M. Hirn 45 12 0 01 Jun 2020
Representations of molecules and materials for interpolation of quantum-mechanical simulations via machine learning Marcel F. Langer Alex Goessmann M. Rupp AI4CE 73 99 0 26 Mar 2020
Wavelet invariants for statistically robust multi-reference alignment M. Hirn A. Little 67 9 0 24 Sep 2019
Geometric Wavelet Scattering Networks on Compact Riemannian Manifolds Michael Perlmutter Feng Gao Guy Wolf M. Hirn 72 14 0 24 May 2019
Scattering Statistics of Generalized Spatial Poisson Point Processes Michael Perlmutter Jieqian He M. Hirn 25 2 0 10 Feb 2019
Kymatio: Scattering Transforms in Python M. Andreux Tomás Angles Georgios Exarchakis R. Leonarduzzi G. Rochette ... M. Hirn Edouard Oyallon Sixhin Zhang Carmine-Emanuele Cella Michael Eickenberg 105 159 0 28 Dec 2018
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models Daniil Polykovskiy Alexander Zhebrak Benjamín Sánchez-Lengeling Sergey Golovanov Oktai Tatanov ... Simon Johansson Hongming Chen Sergey I. Nikolenko Alán Aspuru-Guzik Alex Zhavoronkov ELM 299 662 0 29 Nov 2018
Steerable Wavelet Scattering for 3D Atomic Systems with Application to Li-Si Energy Prediction Xavier Brumwell Paul Sinz K. Kim Y. Qi M. Hirn 46 8 0 21 Nov 2018
Geometric Scattering for Graph Data Analysis Feng Gao Guy Wolf M. Hirn GNN 98 113 0 07 Oct 2018