相关论文: Targeted free energy perturbation

We compute the high-dimensional limit of the free energy associated with a multi-layer generalized linear model. Under certain technical assumptions, we identify the limit in terms of a variational formula. The approach is to first show…

This paper presents a novel decision-focused framework integrating the physical energy storage model into machine learning pipelines. Motivated by the model predictive control for energy storage, our end-to-end method incorporates the prior…

This work aims at improving the energy efficiency of decentralized learning by optimizing the mixing matrix, which controls the communication demands during the learning process. Through rigorous analysis based on a state-of-the-art…

An expression is derived for the classical free energy difference between two configurations of a system, in terms of an ensemble of finite-time measurements of the work performed in parametrically switching from one configuration to the…

Recently, different communities in computer science, telecommunication and control systems have devoted a huge effort towards the design of energy efficient solutions for data transmission and network management. This paper collocates along…

We propose a proof of convergence of an adaptive method used in molecular dynamics to compute free energy profiles. Mathematically, it amounts to studying the long-time behavior of a stochastic process which satisfies a non-linear…

Distributed control strategies applied to power distribution control problems are meant to offer robust and scalable integration of distributed energy resources. However, the term "distributed control" is often loosely applied to a variety…

We propose a new method for calculating total energies of systems of interacting electrons, which requires little more computational resources than standard density-functional theories. The total energy is calculated within the framework of…

We introduce a novel regularization scheme for autoencoders based on matricial free energy. Our approach defines a differentiable loss function in terms of the singular values of the code matrix (code dimension x batch size). From the…

A general problem formulation for energy-efficient traffic engineering for future core networks is presented. Moreover, a distributed heuristic algorithm that provides jointly load balancing and energy efficiency is proposed, approaching in…

A controllable energy method, which considers the undersampling issue of the transfer function and valid spectral energy of a source signal, is proposed to implement angular spectrum diffraction calculation in near and far fields. The…

In this PhD thesis, we explore and apply methods inspired by the free energy principle to two important areas in machine learning and neuroscience. The free energy principle is a general mathematical theory of the necessary…

Finding optimal solutions to combinatorial optimization problems is pivotal in both scientific and technological domains, within academic research and industrial applications. A considerable amount of effort has been invested in the…

The explicit expression for the two-time free energy distribution function in one-dimensional directed polymers in random potential is derived in terms of the Bethe ansatz replica technique by mapping the replicated problem to the…

Application of Jarzynski nonequilibrium work relation to free energy calculation is limited by the very slow convergence of the estimate when dissipation is high. We present a novel perturbation protocol able to improve the convergence of…

We propose a method, Temperature Integration, which allows an efficient calculation of free energy differences between two systems of interest, with the same degrees of freedom, which may have rough energy landscapes. The method is based on…

This paper introduces a method for computing the Helmholtz free energy using the flow matching technique. Unlike previous work that utilized flow-based models for variational free energy calculations, this method provides bounds for free…

Optimization problems in engineering and applied mathematics are typically solved in an iterative fashion, by systematically adjusting the variables of interest until an adequate solution is found. The iterative algorithms that govern these…

An accurate description of nuclear matter starting from free-space nuclear forces has been an elusive goal. The complexity of the system makes approximations inevitable, so the challenge is to find a consistent truncation scheme with…

We develop a systematic procedure to approximate generalized free energy in out of equilibrium stochastic systems. The procedure only requires knowledge of the averages of macroscopic observables and uses quasi-equilibrium distribution to…