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We present a local and transferable machine learning approach capable of predicting the real-space density response of both molecules and periodic systems to external homogeneous electric fields. The new method, SALTER, builds on the…
We introduce a fully spectral learning framework that eliminates traditional neural layers by operating entirely in the wavelet domain. The model applies learnable nonlinear transformations, including soft-thresholding and gain-phase…
The use of machine learning is becoming increasingly common in computational materials science. To build effective models of the chemistry of materials, useful machine-based representations of atoms and their compounds are required. We…
Embedding molecular symmetries into machine-learning models is key for efficient learning of chemico-physical scalar properties, but little evidence on how to extend the same strategy to tensorial quantities exists. Here we formulate a…
Machine learning techniques are essential tools to compute efficient, yet accurate, force fields for atomistic simulations. This approach has recently been extended to incorporate quantum computational methods, making use of variational…
Harmonic generation in the scattered fields produced by a dielectric sphere coated with a time-varying conductive shell is studied using a Mie theory approach hybridized with conversion matrix methods. Analytic results are derived for plane…
Motivated by applications to acoustic imaging, the present work establishes a framework to analyze scattering for the one-dimensional wave, Helmholtz, Schr\"odinger and Riccati equations that allows for coefficients which are more singular…
In many machine learning tasks it is desirable that a model's prediction transforms in an equivariant way under transformations of its input. Convolutional neural networks (CNNs) implement translational equivariance by construction; for…
Inverse wave scattering aims at determining the properties of an object using data on how the object scatters incoming waves. In order to collect information, sensors are put in different locations to send and receive waves from each other.…
Scattering is an important phenomenon which is observed in systems ranging from the micro- to macroscale. In the context of nuclear reaction theory the Heidelberg approach was proposed and later demonstrated to be applicable to many chaotic…
Machine learning (ML) has become a versatile tool for analyzing anomalous diffusion trajectories, yet most existing pipelines are trained on large collections of simulated data. In contrast, experimental trajectories, such as those from…
Machine learning (ML) facilitates rapid channel modeling for 5G and beyond wireless communication systems. Many existing ML techniques utilize a city map to construct the radio map; however, an updated city map may not always be available.…
We apply the Poynting theorem to the scattering of monochromatic electromagnetic planes waves with normal incidence to the interface of two different media. We write this energy conservation theorem to introduce a natural definition of the…
We analyze energy decay for deep convolutional neural networks employed as feature extractors, including Mallat's wavelet scattering transform. For time-frequency scattering transforms based on Gabor filters, previous work has established…
Symmetry transformations induce invariances which are frequently described with deep latent variable models. In many complex domains, such as the chemical space, invariances can be observed, yet the corresponding symmetry transformation…
A Statistic Vectorial Complex Ray Model (SVCRM) is proposed for the scattering of a plane wave by a non-spherical dielectric particle in three dimensions. This method counts the complex amplitudes of all rays arriving in a tiny box in the…
Scattering phase shifts of a meson-meson system in staggered 3-dimensional lattice QED are computed. The main task of the simulation is to obtain a discrete set of two-body energy levels. These are extracted from a 4-point time correlation…
This chapter is dedicated to recent developments in the field of wavelet analysis for scattered data. We introduce the concept of samplets, which are signed measures of wavelet type and may be defined on sets of arbitrarily distributed data…
This paper introduces a Deep Scattering network that utilizes Dual-Tree complex wavelets to extract translation invariant representations from an input signal. The computationally efficient Dual-Tree wavelets decompose the input signal into…
Neutron and X-ray scattering represent two state-of-the-art materials characterization techniques that measure materials' structural and dynamical properties with high precision. These techniques play critical roles in understanding a wide…