Related papers: Relative Entropy Methods for the Approximation of …
We provide a refined explicit estimate of exponential decay rate of underdamped Langevin dynamics in $L^2$ distance, based on a framework developed in [1]. To achieve this, we first prove a Poincar\'{e}-type inequality with Gibbs measure in…
We study the relative entanglement entropies of one interval between excited states of a 1+1 dimensional conformal field theory (CFT). To compute the relative entropy $S(\rho_1 \| \rho_0)$ between two given reduced density matrices $\rho_1$…
Mapping reaction pathways and transition states (TS) is fundamental to chemistry but computationally expensive at scale. The minimum energy pathway (MEP) dictates reaction rates and mechanisms, yet recovering it via electronic-structure…
Approximation of entropies of various types using machine learning (ML) regression methods are shown for the first time. The ML models presented in this study define the complexity of the short time series by approximating dissimilar…
In molecular dynamics, transport coefficients measure the sensitivity of the invariant probability measure of the stochastic dynamics at hand with respect to some perturbation. They are typically computed using either the linear response of…
In this work we study global well-posedness and large time behaviour for a typical reaction--diffusion system, which include degenerate diffusion, and whose non-linearities arise from chemical reactions. We show that there is an {\it…
We investigate three different methods for systematically approximating the diffusion coefficient of a deterministic random walk on the line which contains dynamical correlations that change irregularly under parameter variation. Capturing…
The reduction of high-dimensional systems to effective models on a smaller set of variables is an essential task in many areas of science. For stochastic dynamics governed by diffusion processes, a general procedure to find effective…
Transition pathways of stochastic dynamical systems are typically approximated by instantons. Here we show, using a dynamical system containing two competing pathways, that at low-to-intermediate temperatures, instantons can fail to capture…
We propose a new framework for formulating optimal transport distances between Markov chains. Previously known formulations studied couplings between the entire joint distribution induced by the chains, and derived solutions via a reduction…
Direct simulation of biomolecular dynamics in thermal equilibrium is challenging due to the metastable nature of conformation dynamics and the computational cost of molecular dynamics. Biased or enhanced sampling methods may improve the…
A variety of high-energy astrophysical phenomena are powered by the release -- via magnetic reconnection -- of the energy stored in oppositely directed fields. Single-fluid resistive magnetohydrodynamic (MHD) simulations with uniform…
Although instantaneous interactions are unphysical, a large variety of maximum entropy statistical inference methods match the model-inferred and the empirically-measured equal-time correlation functions. Focusing on collective motion of…
We study the lower bound of the entropy production in a one-dimensional underdamped Langevin system constrained by a time-dependent parabolic potential. We focus on minimizing the entropy production during transitions from a given initial…
The dynamics of biological systems, from proteins to cells to organisms, is complex and stochastic. To decipher their physical laws, we need to bridge between experimental observations and theoretical modeling. Thanks to progress in…
An approximate method based on adiabatic time dependent density functional theory (TDDFT) is presented, that allows for the description of the electron dynamics in nanoscale junctions under arbitrary time dependent external potentials. In…
We demonstrate that the condensed matter quantum systems encompassing two reservoirs connected by a junction permit a natural definition of flows of conserved measures, Renyi entropies. Such flows are similar to the flows of physical…
We analyze the dynamical generation of entanglement in systems of two interacting spins initially prepared in a product of spin coherent states. For arbitrary time-independent Hamiltonians, we derive a semiclassical expression for the…
We employ the relative entropy as a measure to quantify the difference of eigenmodes between Hermitian and non-Hermitian systems in elliptic optical microcavities. We have found that the average value of the relative entropy in the range of…
We study the current rectification of particles moving in a pulsating channel under the in uence of an applied force. We have shown the existence of diferent rectification scenarios in which entropic and energetic effects compete. The…