相关论文: Perturbative Interpretation of Adaptive Thouless-A…

Preparing Gibbs states, which describe systems in equilibrium at finite temperature, is of great importance, particularly at low temperatures. In this work, we propose a new method -- TEPID-ADAPT -- that prepares the thermal Gibbs state of…

In this paper we describe how MAP inference can be used to sample efficiently from Gibbs distributions. Specifically, we provide means for drawing either approximate or unbiased samples from Gibbs' distributions by introducing low…

We study the complexity of the Thouless-Anderson-Palmer (TAP) free energy for Ising spin glasses with a general mixed p-spin covariance, working with the generalized TAP functional of Chen, Panchenko, and Subag. We formulate three…

We propose an iterative algorithm for solving the Thouless-Anderson-Palmer (TAP) equations of Ising models with arbitrary rotation invariant (random) coupling matrices. In the thermodynamic limit, we prove by means of the dynamical…

In [Physical Magazine, 35(3):593-601, 1977], Thouless, Anderson, and Palmer derived a representation for the free energy of the Sherrington-Kirkpatrick model, called the TAP free energy, written as the difference of the energy and entropy…

Existing adaptive bias techniques, which seek to estimate free energies and physical properties from molecular simulations, are limited by their reliance on fixed kernels or basis sets which hinder their ability to efficiently conform to…

Diffusion models achieve strong generative performance but remain slow at inference due to the need for repeated full-model denoising passes. We present Token-Adaptive Predictor (TAP), a training-free, probe-driven framework that adaptively…

In a recent paper [14], we developed the generalized TAP approach for mixed $p$-spin models with Ising spins at positive temperature. Here we extend these results in two directions. We find a simplified representation for the energy of the…

We study the Thouless-Anderson-Palmer (TAP) equations for spin glasses on the hypercube. First, using a random, approximately ultrametric decomposition of the hypercube, we decompose the Gibbs measure, $\langle\cdot\rangle_N$, into a…

We devise automated workflows for the calculation of Helmholtz and Gibbs free energies and their temperature and pressure dependence and provide the corresponding computational tools. We employ non-equilibrium thermodynamics for evaluating…

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…

We introduce a theoretical approach for designing generalizations of the approximate message passing (AMP) algorithm for compressed sensing which are valid for large observation matrices that are drawn from an invariant random matrix…

Inspired by the recent development on calculating the free energy change via a relaxation process [Nat. Phys. 14, 842 (2018)], we investigate the role of heat released in an irreversible relaxation following a large perturbation. Utilizing…

We present a method for determining the free energy dependence on a selected number of collective variables using an adaptive bias. The formalism provides a unified description which has metadynamics and canonical sampling as limiting…

We develop a method to fit high-temperature Gibbs free energy data for the development of interatomic potentials for atomic systems. The approach is based on Hamiltonian thermodynamic integration, enabling the identification of suitable…

In this paper we expose the results of our recent work on the dynamical TAP approach to mean field glassy systems. Our aim is to clarify the connection between free energy landscape and out of equilibrium dynamics in solvable models.…

In 1977, Thouless, Anderson, and Palmer (TAP) derived a system of consistent equations in terms of the effective magnetization in order to study the free energy in the Sherrington-Kirkpatrick (SK) spin glass model. The solutions to their…

The letter proposes an adaptive model reduction approach based on tensor decomposition to speed up time-domain power system simulation. Taylor series expansion of a power system dynamic model is calculated around multiple equilibria…

We study mean-field variational inference in a Bayesian linear model when the sample size n is comparable to the dimension p. In high dimensions, the common approach of minimizing a Kullback-Leibler divergence from the posterior…

An innovative and accurate dynamic Compact Thermal Model extraction method is proposed for multi-chip power electronics systems. It accounts for thermal coupling between multiple heat sources. Transient electro-thermal coupling can easily…