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Concept

Standard basis

Related publications (29)

Randomized flexible GMRES with deflated restarting

Laura Grigori

For a high-dimensional problem, a randomized Gram-Schmidt (RGS) algorithm is beneficial in terms of both computational cost and numerical stability. We apply this dimension reduction technique by random sketching to Krylov subspace methods, e.g., to the ge ...

Springer2024

SPEEDING UP KRYLOV SUBSPACE METHODS FOR COMPUTING f(A)b VIA RANDOMIZATION

Daniel Kressner, Alice Cortinovis

This work is concerned with the computation of the action of a matrix function f(A), such as the matrix exponential or the matrix square root, on a vector b. For a general matrix A, this can be done by computing the compression of A onto a suitable Krylov ...

Siam Publications2024

Dynamical Low-Rank Approximation for Stochastic Differential Equations

Fabio Nobile, Yoshihito Kazashi, Fabio Zoccolan

In this paper, we set the mathematical foundations of the Dynamical Low-Rank Approximation (DLRA) method for stochastic differential equations (SDEs). DLRA aims at approximating the solution as a linear combination of a small number of basis vectors with r ...

American Mathematical Society (AMS)2025

Spectral representation of EEG data using learned graphs with application to motor imagery decoding

Dimitri Nestor Alice Van De Ville, Hamid Behjat, Maliheh Miri

Electroencephalography (EEG) data entail a complex spatiotemporal structure that reflects ongoing organi-zation of brain activity. Characterization of the spatial patterns is an indispensable step in numerous EEG processing pipelines. We present a novel me ...

Elsevier Sci Ltd2023

Plane Waves Versus Correlation-Consistent Basis Sets: A Comparison of MP2 Non-Covalent Interaction Energies in the Complete Basis Set Limit

Ursula Röthlisberger, Martin Peter Bircher, Justin Villard

Second-order Moller-Plesset perturbation theory (MP2) is the most expedient wave function-based method for considering electron correlation in quantum chemical calculations and, as such, provides a cost-effective framework to assess the effects of basis se ...

Amer Chemical Soc2023

Advancing Computational Chemistry with Stochastic and Artificial Intelligence Approaches

Justin Villard

Computational chemistry aims to simulate reactions and molecular properties at the atomic scale, advancing the design of novel compounds and materials with economic, environmental, and societal implications. However, the field relies on approximate quantum ...

EPFL2023

Effective field theory of the two Higgs doublet model

Timothy Cohen

We revisit the effective field theory of the two Higgs doublet model at tree level. The introduction of a novel basis in the UV theory allows us to derive matching coefficients in the effective description that resum important contributions from the Higgs ...

Springer Nature2023

A smooth basis for atomistic machine learning

Michele Ceriotti, Filippo Bigi, Kevin Kazuki Huguenin-Dumittan

Machine learning frameworks based on correlations of interatomic positions begin with a discretized description of the density of other atoms in the neighborhood of each atom in the system. Symmetry considerations support the use of spherical harmonics to ...

AIP Publishing2022

Unified theory of atom-centered representations and message-passing machine-learning schemes

Michele Ceriotti, Jigyasa Nigam, Guillaume André Jean Fraux, Sergey Pozdnyakov

Data-driven schemes that associate molecular and crystal structures with their microscopic properties share the need for a concise, effective description of the arrangement of their atomic constituents. Many types of models rely on descriptions of atom-cen ...

AIP Publishing2022

High-order geometric integrators for nonadiabatic molecular quantum dynamics and their applications to explore conical intersections

Seonghoon Choi

Accurate simulations of molecular quantum dynamics are crucial for understanding numerous natural processes and experimental results. Yet, such high-accuracy simulations are challenging even for relatively simple systems where the Born-Oppenheimer approxim ...

EPFL2022

Optimal radial basis for density-based atomic representations

Michele Ceriotti, Félix Benedito Clément Musil, Jigyasa Nigam, Sergey Pozdnyakov, Alexander Jan Goscinski

The input of almost every machine learning algorithm targeting the properties of matter at the atomic scale involves a transformation of the list of Cartesian atomic coordinates into a more symmetric representation. Many of the most popular representations ...

2021

Catch Me If You Can Designing a Disobedient Object to Protest Against GSM Surveillance

Félicien Michel Marie Goguey

In this article, I discuss the process of designing an object to protest against a specific surveillance device: the IMSI catcher, a controversial object used to monitor GSM networks. Being widely used in protests, I develop a tactical approach based on ob ...

ASSOC COMPUTING MACHINERY2021

On compact representations of Voronoi cells of lattices

Matthias Schymura, Christoph Hunkenschröder

In a seminal work, Micciancio and Voulgaris (SIAM J Comput 42(3):1364-1391, 2013) described a deterministic single-exponential time algorithm for the closest vector problem (CVP) on lattices. It is based on the computation of the Voronoi cell of the given ...

SPRINGER HEIDELBERG2020

On the Volume of the John-Lowner Ellipsoid

Grigory Ivanov

We find an optimal upper bound on the volume of the John ellipsoid of a k-dimensional section of the n-dimensional cube, and an optimal lower bound on the volume of the Lowner ellipsoid of a projection of the n-dimensional cross-polytope onto a k-dimension ...

SPRINGER2020

Reduction of the sign problem near T=0 in quantum Monte Carlo simulations

Frédéric Mila, Jonathan D'Emidio

Building on a recent investigation of the Shastry-Sutherland model [S. Wessel et al., Phys. Rev. B 98, 174432 (2018)], we develop a general strategy to eliminate the Monte Carlo sign problem near the zero-temperature limit in frustrated quantum spin models ...

2020

New Results in Integer and Lattice Programming

Christoph Hunkenschröder

An integer program (IP) is a problem of the form

\min \{f(x) : \, Ax = b, \ l \leq x \leq u, \ x \in \Z^n\}

, where

A \in \Z^{m \times n}

b \in \Z^m

l,u \in \Z^n

, and

f: \Z^n \rightarrow \Z

is a separable convex objective function. The problem o ...

EPFL2020

Modern Schools in Angola, 1961-1975: Design with Climate and Heritage

Maria Margarida Gonçalves Quintã

The architectural production of Angola between 1961 and 1975 forms the basis of the current study. Taking into consideration that buildings' environmental performance is, at one time, one of the most central aspects of the Modern Movement legacy and a pres ...

EPFL2019

Abitare oltre la pandemia: verso un nuovo habitat domestico

Boris Hamzeian

The search for ways of living adapted to the changes of society is gaining in importance in the context of the current Coronavirus pandemic. The domestic confinement, in fact, is revealing as never before the inadequacy of our homes to contemporary life. T ...

2020

Efficient Treatment of Correlation Energies at the Basis-Set Limit by Monte Carlo Summation of Continuum States

Ursula Röthlisberger, Martin Peter Bircher, Justin Villard

The calculation of electron correlation is vital for the description of atomistic phenomena in physics, chemistry, and biology. However, accurate wavefunction-based methods exhibit steep scaling and often sluggish convergence with respect to the basis set ...

AMER CHEMICAL SOC2020

In response to ‘Six critical questions about smart spezialisation’

Dominique Foray

This paper has been written as a response to « Six critical questions about smart specialization » by R. Hassink and H. Gong. The paper starts with a reminder of what has not changed in terms of the basic principles and raison d’être of smart specializatio ...

2019