相关论文: Targeted free energy perturbation

A family of fast sampling methods is introduced here for molecular simulations of systems having rugged free energy landscapes. The methods represent a generalization of a strategy consisting of adjusting a model for the free energy as a…

The free energy functional has recently been proposed as a variational principle for bounded rational decision-making, since it instantiates a natural trade-off between utility gains and information processing costs that can be…

We consider (2+1)-QFT at finite temperature on a product of time with a static spatial geometry. The suitably defined difference of thermal vacuum free energy for the QFT on a deformation of flat space from its value on flat space is a UV…

This paper is committed to investigate an extension of the classical adaptive biasing force method, which is used to compute the free energy related to the Boltzmann-Gibbs measure and a reaction coordinate function. The issue of this…

Recently, tremendous interest has been devoted to develop data fusion strategies for energy efficiency in buildings, where various kinds of information can be processed. However, applying the appropriate data fusion strategy to design an…

Currently, the increase in financial returns from economic operations is constrained in view of the lack of a single efficiency criterion, which allows uniquely identify the business operation by their main feature - the possibility of…

We consider the variational free energy approach for compressed sensing. We first show that the na\"ive mean field approach performs remarkably well when coupled with a noise learning procedure. We also notice that it leads to the same…

Fixed-parameter tractable (FPT) algorithms have been successfully applied to many intractable problems -- with a focus on decision and optimization problems. Their aim is to confine the exponential explosion to some parameter, while the…

We prove integrated local energy decay for solutions of the damped wave equation with time-dependent damping satisfying an appropriate generalization of the geometric control condition on asymptotically flat, stationary space-times. We…

The present chapter gives an overview on results for discrete knot energies. These discrete energies are designed to make swift numerical computations and thus open the field to computational methods. Additionally, they provide an…

A simple modification of the definition of the S-matrix is proposed. It is expected that the divergences related to nonzero self-energies are considerably milder with the modified definition than with the usual one. This conjecture is…

Systematic inaccuracy is inherent in any computational estimate of a non-linear average, due to the availability of only a finite number of data values, N. Free energy differences (DF) between two states or systems are critically important…

We calculate the free energy of a hot gas of electrons and photons to three loops using the hard-thermal-loop perturbation theory reorganization of finite-temperature perturbation theory. We calculate the free energy through three loops by…

According to the Jarzynski theorem, equilibrium free energy differences can be calculated from the statistics of work carried out during non-equilibrium transformations. Although exact, this approach can be plagued by large statistical…

We propose an energy-optimized invariant energy quadratization method to solve the gradient flow models in this paper, which requires only one linear energy-optimized step to correct the auxiliary variables on each time step. In addition to…

The main perturbative contribution to the free energy of an electroweak interface is due to the effective potential and the tree level kinetic term. The derivative corrections are investigated with one-loop perturbation theory. The action…

The perturbative expansion introduced by Zwanzig [R. W. Zwanzig, J. Chem. Phys. {\bf 22}, 1420 (1954)] expresses the difference in Helmholtz free energy between a system of interest and that of a reference system as series of cumulants…

We consider a possible `deformation' of the trace of the heat kernel on odd dimensional spheres, motivated by the calculation of the free energy of a scalar field on a discretized circle. By using an expansion in terms of the modified…

The paper is a continuation of arXiv:2012.10364, where the approach was developed to constructing the exact matrix model for any generalized Ising system, and such model was constructed for certain 2d system. In this paper, the properties…

Building on nonintrinsic Landau theory, we introduce continuum free-energy computing as a new computing paradigm in which problem instances are encoded in programmable free-energy functionals and solved by intrinsic relaxational dynamics.…