相关论文: Targeted free energy perturbation
We review a recently developed micellization theory, which is based on a free-energy approach and offers several advantages over the conventional one, based on mass action and rate equations. As all the results are derived from a single…
Calculating free energy differences is a topic of substantial interest and has many applications including molecular docking and hydration, solvation, and binding free energies which is used in computational drug discovery. However, in…
The Targeted Free Energy Perturbation (TFEP) method aims to overcome the time-consuming and computer-intensive stratification process of standard methods for estimating the free energy difference between two states. To achieve this, TFEP…
Active inference is a leading theory of perception, learning and decision making, which can be applied to neuroscience, robotics, psychology, and machine learning. Active inference is based on the expected free energy, which is mostly…
We consider an Ising model with quenched surface disorder, the disorder average of the free energy is the main object of interest. Explicit expressions for the free energy distribution are difficult to obtain if the quenched surface spins…
An effective field theory approach is developed for calculating the thermodynamic properties of a field theory at high temperature $T$ and weak coupling $g$. The effective theory is the 3-dimensional field theory obtained by dimensional…
Motivated by various benefits of multi-energy integration, this paper establishes a bi-level framework based on transactive control to realize energy optimization among multiple interconnected energy hubs (EHs). A storage-energy-equivalent…
We consider the effect of a local perturbation on the energy levels of a system described by random matrix theory. An analytic expression for the joint distribution function of initial and final energy levels is obtained. In the case of…
In this paper we study multi-matrix models whose potentials are perturbations of the quadratic potential associated with independent GUE random matrices. More precisely, we compute the free energy and the expectation of the trace of…
Bayesian inference is a widely used statistical method. The free energy and generalization loss, which are used to estimate the accuracy of Bayesian inference, are known to be small in singular models that do not have a unique optimal…
A unified treatment for the existence of free energy in several random energy models is presented. If the sequence of distributions associated with the particle systems obeys a large deviation principle, then the free energy exists almost…
We study the directed polymer of length $t$ in a random potential with fixed endpoints in dimension 1+1 in the continuum and on the square lattice, by analytical and numerical methods. The universal regime of high temperature $T$ is…
The free energy principle has been proposed as a unifying account of brain function. It is closely related, and in some cases subsumes, earlier unifying ideas such as Bayesian inference, predictive coding, and active learning. This article…
The energy spectrum of two short-range interacting particles in a harmonic potential trap has previously been related to free-space scattering phase shifts. But the existing formula for this purpose is exact only in the limit of an…
Self-organizing systems consume energy to generate internal order. The concept of thermodynamic efficiency, drawing from statistical physics and information theory, has previously been proposed to characterise a change in control parameter…
We propose a formulation of adaptive computation of free energy differences, in the ABF or nonequilibrium metadynamics spirit, using conditional distributions of samples of configurations which evolve in time. This allows to present a truly…
The generalized fault diagram, a data structure for failure analysis based on the influence diagram, is defined. Unlike the fault tree, this structure allows for dependence among the basic events and replicated logical elements. A heuristic…
A modification of the Adaptive Biasing Force method is introduced, in which the free energy is approximated by a sum of tensor products of one-dimensional functions. This enables to handle a larger number of reaction coordinates than the…
Recently it has been shown that the control energy required to control a dynamical complex network is prohibitively large when there are only a few control inputs. Most methods to reduce the control energy have focused on where, in the…
One of the goals of this paper is to contribute to finding distributed power control strategies which exploit efficiently the information available about the global channel state; it may be local or noisy. A suited way of measuring the…