Efficient geometric integrators for nonadiabatic quantum dynamics. I. The adiabatic representation

Related publications (30)

About
Privacy
Disclaimer

Graph Chatbot

Adaptive isogeometric methods with C-1 (truncated) hierarchical splines on planar multi-patch domains

Isogeometric analysis is a powerful paradigm which exploits the high smoothness of splines for the numerical solution of high order partial differential equations. However, the tensor-product structure of standard multivariate B-spline models is not well s ...

WORLD SCIENTIFIC PUBL CO PTE LTD2023

Functional data analysis with rough sample paths?

Victor Panaretos, Neda Mohammadi Jouzdani

Functional data are typically modeled as sample paths of smooth stochastic processes in order to mitigate the fact that they are often observed discretely and noisily, occasionally irregularly and sparsely. The smoothness assumption is imposed to allow for ...

TAYLOR & FRANCIS LTD2024

An equilibrated flux a posteriori error estimator for defeaturing problems

Annalisa Buffa, Rafael Vazquez Hernandez, Denise Grappein, Ondine Gabrielle Chanon

An a posteriori error estimator based on an equilibrated flux reconstruction is proposed for defeaturing problems in the context of finite element discretizations. Defeaturing consists in the simplification of a geometry by removing features that are consi ...

2023

Augmented Lagrangian Methods for Provable and Scalable Machine Learning

Mehmet Fatih Sahin

Non-convex constrained optimization problems have become a powerful framework for modeling a wide range of machine learning problems, with applications in k-means clustering, large- scale semidefinite programs (SDPs), and various other tasks. As the perfor ...

EPFL2023

Euclid: modelling massive neutrinos in cosmology a code comparison

Georges Meylan, Bo Li, Yi Wang, Richard Massey

The measurement of the absolute neutrino mass scale from cosmological largescale clustering data is one of the key science goals of the Euclid mission. Such a measurement relies on precise modelling of the impact of neutrinos on structure formation, which ...

Iop Publishing Ltd2023

Region Extraction in Mesh Intersection

Annalisa Buffa, Pablo Antolin Sanchez, Emiliano Cirillo

Region extraction is a very common task in both Computer Science and Engineering with several applications in object recognition and motion analysis, among others. Most of the literature focuses on regions delimited by straight lines, often in the special ...

2023

Hamiltonian Deep Neural Networks Guaranteeing Non-Vanishing Gradients by Design

Giancarlo Ferrari Trecate, Luca Furieri, Clara Lucía Galimberti, Liang Xu

Deep Neural Networks (DNNs) training can be difficult due to vanishing and exploding gradients during weight optimization through backpropagation. To address this problem, we propose a general class of Hamiltonian DNNs (H-DNNs) that stem from the discretiz ...

2023

Robust optimization of control parameters for WEC arrays using stochastic methods

Tommaso Vanzan, Edie Miglio

This work presents a new computational optimization framework for the robust control of parks of Wave Energy Converters (WEC) in irregular waves. The power of WEC parks is maximized with respect to the individual control damping and stiffness coefficients ...

Journal of Computational Physics2023

Mean flow modeling in high-order nonlinear Schrodinger equations

Debbie Eeltink

The evaluation and consideration of the mean flow in wave evolution equations are necessary for the accurate prediction of fluid particle trajectories under wave groups, with relevant implications in several domains, from the transport of pollutants in the ...

2023

Stable Nonconvex-Nonconcave Training via Linear Interpolation

Volkan Cevher, Thomas Michaelsen Pethick, Wanyun Xie

This paper presents a theoretical analysis of linear interpolation as a principled method for stabilizing (large-scale) neural network training. We argue that instabilities in the optimization process are often caused by the nonmonotonicity of the loss lan ...

2023

Page 3 of 3