Publications associées à Path Integral Methods in Atomistic Modelling

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Discrete least-squares approximations over optimized downward closed polynomial spaces in arbitrary dimension

Fabio Nobile, Giovanni Migliorati

We analyze the accuracy of the discrete least-squares approximation of a function

u

in multivariate polynomial spaces

P_\Lambda:=span\{y\mapsto y^\nu \,: \, \nu\in \Lambda\}

with

\Lambda\subset N_0^d

over the domain

\Gamma:=[-1,1]^d

, based on the s ...

2017

Path Integral Methods in Atomistic Modelling

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Genetic Optimization of Training Sets for Improved Machine Learning Models of Molecular Properties

Geometric Integrators for Nonadiabatic Molecular Quantum Dynamics Induced by the Interaction with the Electromagnetic Field

Safe Adaptive Importance Sampling

Sampling at unknown locations, with an application in surface retrieval

On the performance of random reshuffling in stochastic learning

Discrete least-squares approximations over optimized downward closed polynomial spaces in arbitrary dimension

Classical Force Fields Tailored for QM Applications: Is It Really a Feasible Strategy?

Learning-based subsampling

Sampling and Exact Reconstruction of Pulses with Variable Width

Just Sort It! A Simple and Effective Approach to Active Preference Learning

Genetic Optimization of Training Sets for Improved Machine Learning Models of Molecular Properties

Discrete least-squares approximations over optimized downward closed polynomial spaces in arbitrary dimension

Sampling at unknown locations, with an application in surface retrieval

Classical Force Fields Tailored for QM Applications: Is It Really a Feasible Strategy?

Geometric Integrators for Nonadiabatic Molecular Quantum Dynamics Induced by the Interaction with the Electromagnetic Field

On the performance of random reshuffling in stochastic learning

Learning-based subsampling

Sampling and Exact Reconstruction of Pulses with Variable Width

Just Sort It! A Simple and Effective Approach to Active Preference Learning

Safe Adaptive Importance Sampling