Publications associées à On the Performance of Exact Diffusion over Adaptive Networks

Applications of the thawed Gaussian approximation to electronic spectroscopy

The exploration of electronically excited states and the study of diverse photochemical and photophysical processes are the main goals of molecular electronic spectroscopy. Exact quantum-mechanical simulation of such experiments is, however, beyond current ...

EPFL2024

Large-cage occupation and quantum dynamics of hydrogen molecules in sII clathrate hydrates

Richard Gaal, Livia Eleonora Bove Kado, Umbertoluca Ranieri

Hydrogen clathrate hydrates are ice-like crystalline substances in which hydrogen molecules are trapped inside polyhedral cages formed by the water molecules. Small cages can host only a single H-2 molecule, while each large cage can be occupied by up to f ...

Aip Publishing2024

Eight-vertex criticality in the interacting Kitaev chain

Frédéric Mila, Natalia Chepiga

We show that including pairing and repulsion into the description of one-dimensional spinless fermions, as in the domain wall theory of commensurate melting or the interacting Kitaev chain, leads, for strong enough repulsion, to a line of critical points i ...

AMER PHYSICAL SOC2023

Dispatch-aware Optimal Planning of Active Distribution Networks including Energy Storage Systems

Ji Hyun Yi

The thesis develops a planning framework for ADNs to achieve their dispatchability by means of ESS allocation while ensuring a reliable and secure operation of ADNs. Second, the framework is extended to include grid reinforcements and ESSs planning. Finall ...

EPFL2023

Spectral and thermodynamic properties of interacting electrons with dynamical functionals

Tommaso Chiarotti

Empowered by ever-increasing computational power and algorithmic developments, electronic-structure simulations continue to drive research and innovation in materials science. In this context, ab-initio calculations offer an unbiased platform for the under ...

EPFL2023

Unified Green's function approach for spectral and thermodynamic properties from algorithmic inversion of dynamical potentials

Nicola Marzari, Tommaso Chiarotti, Andrea Ferretti

Dynamical potentials appear in many advanced electronic-structure methods, including self-energies from many-body perturbation theory, dynamical mean-field theory, electronic-transport formulations, and many embedding approaches. Here, we propose a novel t ...

AMER PHYSICAL SOC2022

Expansion planning of active distribution networks achieving their dispatchability via energy storage systems

Sidi-Rachid Cherkaoui, Mario Paolone, Katarina Knezovic, Ji Hyun Yi

This paper presents a combined framework for power distribution network expansion planning (DNEP) and energy storage systems (ESSs) allocation in active distribution networks (ADNs) hosting large amount of photovoltaic (PV) generations and loads. The propo ...

2022

Spinon-like excitations in spin-1/2 quantum antiferromagnets

Irina Safiulina

Quantum magnetism remains a hot topic in condensed matter physics due to its complexity and possible powerful and significant applications in data storage and memory. To understand how the materials can achieve these goals, one should have a clear idea abo ...

EPFL2022

Optimal Co-Planning of ESSs and Line Reinforcement Considering the Dispatchability of Active Distribution Networks

Sidi-Rachid Cherkaoui, Mario Paolone, Katarina Knezovic, Ji Hyun Yi

The paper presents a method for the co-optimization of energy storage systems allocation and line reinforcement in active distribution networks. The objective is to guarantee the capability of an active distribution network to follow a dispatch plan by app ...

IEEE Institute of Electrical and Electronics Engineers2022

Efficient geometric integrators for the linear and nonlinear time-dependent Schrödinger equation

Julien Roulet

Many physical and chemical reactions are driven by nonadiabatic processes, which imply the breakdown of the celebrated Born-Oppenheimer approximation. To understand these processes, experimentalists employ spectroscopic techniques. However, the obtained re ...

EPFL2022

The Multi-species Mean-Field Spin-Glass on the Nishimori Line

Emanuele Mingione, Diego Alberici

In this paper we study a multi-species disordered model on the Nishimori line. The typical properties of this line, a set of identities and inequalities among correlation functions, allow us to prove the replica symmetry i.e. the concentration of the order ...

SPRINGER2021

Multikernel Regression with Sparsity Constraint

Michaël Unser, Shayan Aziznejad

In this paper, we provide a Banach-space formulation of supervised learning with generalized total-variation (gTV) regularization. We identify the class of kernel functions that are admissible in this framework. Then, we propose a variation of supervised l ...

2021

High-order geometric integrators for representation-free Ehrenfest dynamics

Jiri Vanicek, Seonghoon Choi

Ehrenfest dynamics is a useful approximation for ab initio mixed quantum-classical molecular dynamics that can treat electronically nonadiabatic effects. Although a severe approximation to the exact solution of the molecular time-dependent Schrödinger equa ...

2021

Functional registration and local variations: Identifiability, rank, and tuning

Victor Panaretos, Anirvan Chakraborty

We develop theory and methodology for the problem of nonparametric registration of functional data that have been subjected to random deformation (warping) of their time scale. The separation of this phase variation ("horizontal" variation) from the amplit ...

2021

On the Influence of Bias-Correction on Distributed Stochastic Optimization

Ali H. Sayed, Bicheng Ying, Kun Yuan, Sulaiman A S A E Alghunaim

Various bias-correction methods such as EXTRA, gradient tracking methods, and exact diffusion have been proposed recently to solve distributed deterministic optimization problems. These methods employ constant step-sizes and converge linearly to the exact ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2020

An adaptive algorithm for the transport equation with time dependent velocity

Marco Picasso, Samuel Dubuis

An a posteriori error estimate is derived for the approximation of the transport equation with a time dependent transport velocity. Continuous, piecewise linear, anisotropic finite elements are used for space discretization, the Crank-Nicolson scheme schem ...

2020

Optimal Allocation of ESSs in Active Distribution Networks to achieve their Dispatchability

Sidi-Rachid Cherkaoui, Mario Paolone, Ji Hyun Yi

This paper presents a method for the optimal siting and sizing of energy storage systems (ESSs) in active distribution networks (ADNs) to achieve their dispatchability. The problem formulation accounts for the uncertainty inherent to the stochastic nature ...

IEEE Institute of Electrical and Electronics Engineers2020

Variance-Reduced Stochastic Learning by Networked Agents Under Random Reshuffling

Ali H. Sayed, Bicheng Ying, Kun Yuan

This paper develops a distributed variance-reduced strategy for a collection of interacting agents that are connected by a graph topology. The resulting diffusion-AVRG (where AVRG stands for "amortized variance-reduced gradient") algorithm is shown to have ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2019

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

Jiri Vanicek, Seonghoon Choi

Geometric integrators of the Schrödinger equation conserve exactly many invariants of the exact solution. Among these integrators, the split-operator algorithm is explicit and easy to implement but, unfortunately, is restricted to systems whose Hamiltonian ...

2019

Contributions to Likelihood-Based Modelling of Extreme Values

Léo Raymond-Belzile

xtreme value analysis is concerned with the modelling of extreme events such as floods and heatwaves, which can have large impacts. Statistical modelling can be useful to better assess risks even if, due to scarcity of measurements, there is inherently ver ...

EPFL2019