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Wavelet Scattering Regression of Quantum Chemical Energies

16 May 2016

Papers citing "Wavelet Scattering Regression of Quantum Chemical Energies"

24 / 24 papers shown

Title
The Maximal Overlap Discrete Wavelet Scattering Transform and Its Application in Classification Tasks Leonardo Fonseca Larrubia Pedro Alberto Morettin Chang Chiann 35 0 0 23 May 2025
Energy Propagation in Scattering Convolution Networks Can Be Arbitrarily Slow Hartmut Führ Max Getter 87 2 0 07 Jun 2024
Equivariant Wavelets: Fast Rotation and Translation Invariant Wavelet Scattering Transforms A. Saydjari D. Finkbeiner 67 20 0 22 Apr 2021
LieTransformer: Equivariant self-attention for Lie Groups M. Hutchinson Charline Le Lan Sheheryar Zaidi Emilien Dupont Yee Whye Teh Hyunjik Kim 138 111 0 20 Dec 2020
Data-driven rogue waves and parameter discovery in the defocusing NLS equation with a potential using the PINN deep learning Li Wang Zhenya Yan 84 85 0 18 Dec 2020
Machine Learning Force Fields Oliver T. Unke Stefan Chmiela H. E. Sauceda M. Gastegger I. Poltavsky Kristof T. Schütt A. Tkatchenko K. Müller AI4CE 145 940 0 14 Oct 2020
Efficient Long-Range Convolutions for Point Clouds Yifan Peng Lin Lin Lexing Ying Leonardo Zepeda-Núnez 3DPC 47 8 0 11 Oct 2020
Multi-scale approach for the prediction of atomic scale properties Andrea Grisafi Jigyasa Nigam Michele Ceriotti 43 31 0 27 Aug 2020
SE(3)-Transformers: 3D Roto-Translation Equivariant Attention Networks F. Fuchs Daniel E. Worrall Volker Fischer Max Welling 3DPC 178 699 0 18 Jun 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 55 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 69 9 0 24 Sep 2019
Cormorant: Covariant Molecular Neural Networks Brandon M. Anderson Truong-Son Hy Risi Kondor 144 426 0 06 Jun 2019
Incidence Networks for Geometric Deep Learning Marjan Albooyeh Daniele Bertolini Siamak Ravanbakhsh GNN 80 26 0 27 May 2019
Geometric Wavelet Scattering Networks on Compact Riemannian Manifolds Michael Perlmutter Feng Gao Guy Wolf M. Hirn 72 14 0 24 May 2019
Deep learning for molecular design - a review of the state of the art Daniel C. Elton Zois Boukouvalas M. Fuge Peter W. Chung AI4CE 3DV 103 328 0 11 Mar 2019
Scattering Statistics of Generalized Spatial Poisson Point Processes Michael Perlmutter Jieqian He M. Hirn 37 2 0 10 Feb 2019
Statistical learning of geometric characteristics of wireless networks Antoine Brochard B. Błaszczyszyn S. Mallat Sixin Zhang 16 4 0 19 Dec 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 104 113 0 07 Oct 2018
Deep Learning of Vortex Induced Vibrations M. Raissi Zhicheng Wang M. Triantafyllou George Karniadakis AI4CE 81 379 0 26 Aug 2018
Solid Harmonic Wavelet Scattering for Predictions of Molecule Properties Michael Eickenberg Georgios Exarchakis M. Hirn S. Mallat L. Thiry 79 71 0 01 May 2018
N-body Networks: a Covariant Hierarchical Neural Network Architecture for Learning Atomic Potentials Risi Kondor AI4CE 95 108 0 05 Mar 2018
SchNet: A continuous-filter convolutional neural network for modeling quantum interactions Kristof T. Schütt Pieter-Jan Kindermans Huziel Enoc Sauceda Felix Stefan Chmiela A. Tkatchenko K. Müller 170 1,088 0 26 Jun 2017