Paper Info
Title
Solid Harmonic Wavelet Scattering: Predicting Quantum Molecular Energy from Invariant Descriptors of 3D Electronic Densities.
Abstract
We introduce a solid harmonic wavelet scattering representation, invariant to rigid motion and stable to deformations, for regression and classification of 2D and 3D signals. Solid harmonic wavelets are computed by multiplying solid harmonic functions with Gaussian windows dilated at different scales. Invariant scattering coefficients are obtained by cascading such wavelet transforms with the complex modulus nonlinearity. We study an application of solid harmonic scattering invariants to the estimation of quantum molecular energies, which are also invariant to rigid motion and stable with respect to deformations. A multilinear regression over scattering invariants provides close to state of the art results over small and large databases of organic molecules.
Year
Venue
Field
2017
ADVANCES IN NEURAL INFORMATION PROCESSING SYSTEMS 30 (NIPS 2017)
Harmonic function,Mathematical optimization,Nonlinear system,Mathematical analysis,Harmonic,Gaussian,Scattering,Invariant (mathematics),Geometry,Mathematics,Wavelet,Wavelet transform
DocType
Volume
ISSN
Conference
30
1049-5258
Citations 
PageRank 
References 
7
0.54
5
Authors
4
Name
Order
Citations
PageRank
Michael Eickenberg11259.76
Georgios Exarchakis281.23
Matthew J. Hirn3336.48
Stéphane Mallat44107718.30