Representation of Radon Shape Diffusions via Hyperspherical Brownian Motion

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Spectra of non-regular elements in irreducible representations of simple algebraic groups

Donna Testerman

We study the spectra of non-regular semisimple elements in irreducible representations of simple algebraic groups. More precisely, we prove that if G is a simply connected simple linear algebraic group and φ : G → GL(V ) is a non-trivial irreducible repres ...

2021

Irvsp: To obtain irreducible representations of electronic states in the VASP

Quansheng Wu, Ziyi Wang

We present an open-source program irvsp, to compute irreducible representations of electronic states for all 230 space groups with an interface to the Vienna ab-initio Simulation Package. This code is fed with plane-wave-based wavefunctions (e.g. WAVECAR) ...

ELSEVIER2021

Pure Isotropic Proton Solid State NMR

David Lyndon Emsley, Pinelopi Moutzouri, Daria Torodii, Bruno Simões de Almeida

Resolution in proton solid state magic angle sample spinning (MAS) NMR is limited by the intrinsically imperfect nature of coherent averaging induced by either MAS or multiple pulse sequence methods. Here, we suggest that instead of optimizing and perfecti ...

2021

Gaussian Process Regression for Materials and Molecules

Michele Ceriotti, David Mark Wilkins

We provide an introduction to Gaussian process regression (GPR) machinelearning methods in computational materials science and chemistry. The focus of the present review is on the regression of atomistic properties: in particular, on the construction of in ...

AMER CHEMICAL SOC2021

The various forms of sensorimotor plasticity following limb amputation and their link with rehabilitation strategies

Estelle Emeline Raffin

Limb amputation is characterized by complex and intermingled brain reorganization processes combining sensorimotor deprivation induced by the loss of the limb per se, and compensatory behaviors, such as the over-use of the intact or remaining limb. While a ...

2021

Spectral Measurement and Classification in the Era of Big Data

Marilyne Andersen, Forrest Simon Webler

The measurement and classification of light is essential across many scientific disciplines. Devices used to measure light range from the highly precise scanning spectroradiometers to the more practical compact multichannel filter-array type imaging sensor ...

2021

Scalable Robust Graph Embedding with Spark

Karl Aberer, Quoc Viet Hung Nguyen, Chi Thang Duong, Trung-Dung Hoang

Graph embedding aims at learning a vector-based representation of vertices that incorporates the structure of the graph. This representation then enables inference of graph properties. Existing graph embedding techniques, however, do not scale well to larg ...

ASSOC COMPUTING MACHINERY2021

Home, Spatial Familiarity And Routines In Mobility Behaviours

Marc-Edouard Baptiste Grégoire Schultheiss

This research explores the unreasoned influences of locational behaviour – i.e. locational habits – in Activity- Travel-Behaviour (ATB). In particular, the interrelations between Activity Space characteristics and mobility patterns. In a wider research eff ...

2021

Predictive brain: Addressing the level of representation by reviewing perceptual hysteresis

David Pascucci

In recent years, the idea that the prediction of sensory input is one of the major computational goals of the nervous system led to the development of several large-scale theories of brain functioning, such as different versions of the Bayesian approach to ...

ELSEVIER MASSON, CORP OFF2021

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