相关论文: Configurational Temperature as a Diagnostic for Co…

The numerical investigation of the statics and dynamics of systems in nonequilibrium in general, and under shear flow in particular, has become more and more common. However, not all the numerical methods developed to simulate equilibrium…

Using lattice perturbation theory at finite temperature, we compute for staggered fermions the one-loop fermionic corrections to the spatial and temporal plaquette couplings as well as the leading $Z_N$ symmetry breaking coupling. Numerical…

A brief overview of the QCD phase diagram at nonzero temperature and density is provided. It is explained why standard lattice QCD techniques are not immediately applicable for its determination, due to the sign problem. We then discuss a…

A large class of quantum and statistical field theoretical models, encompassing relevant condensed matter and non-abelian gauge systems, are defined in terms of complex actions. As the ordinary Monte-Carlo methods are useless in dealing…

We show a unified second-order scheme for constructing simple, robust and accurate algorithms for typical thermostats for configurational sampling for the canonical ensemble. When Langevin dynamics is used, the scheme leads to the BAOAB…

Transition state calculation is a critical technique to understand and predict versatile dynamical phenomena in solids. However, the transition state results obtained at zero Kelvin are often utilized for prediction or interpretation of…

High-entropy oxides (HEOs) offer a unique platform for exploring the thermodynamic interaction between configurational entropy and enthalpy in stabilizing complex solid solutions. In this study, a series of rock-salt structured oxides with…

A wide body of work has applied the concept of critical slowing down to estimate the stability of different Earth system components. Most of them -- such as global vegetation -- are inherently non-stationary, for example due to strong…

We demonstrate analytically that complex Langevin dynamics can solve the sign problem in one-dimensional QCD in the thermodynamic limit. In particular, it is shown that the contributions from the complex and highly oscillating spectral…

Simulations of QCD with a finite chemical potential typically lead to a severe sign problem, prohibiting any standard Monte Carlo approach. Complex Langevin simulations provide an alternative to sample path integrals with oscillating weight…

Imperfections in correlated materials can alter their ground state as well as finite-temperature properties in significant ways. Here, we develop a method based on numerical linked-cluster expansions for calculating exact finite-temperature…

We introduce a scheme for deriving an optimally-parametrised Langevin dynamics of few collective variables from data generated in molecular dynamics simulations. The drift and the position-dependent diffusion profiles governing the Langevin…

The dynamical phase diagram of the fractional Langevin equation is investigated for harmonically bound particle. It is shown that critical exponents mark dynamical transitions in the behavior of the system. Four different critical exponents…

Choosing how much noise to add in Langevin dynamics is essential for making these algorithms effective in challenging optimization problems. One promising approach is to determine this noise by solving Hamilton-Jacobi-Bellman (HJB)…

Progress in the application of the complex Langevin method to full QCD at non-zero chemical potential is reported. The method evades the sign problem which makes naive simulations at nonzero density impossible. The procedure 'gauge cooling'…

We consider calibration of convolutional classifiers for diagnostic decision making. Clinical decision makers can use calibrated classifiers to minimise expected costs given their own cost function. Such functions are usually unknown at…

A Hamiltonian dynamics is defined for the XY model by adding a kinetic energy term. Thermodynamical properties (total energy, magnetization, vorticity) derived from microcanonical simulations of this model are found to be in agreement with…

The XY model with quenched random phase shifts is studied by a T=0 finite size defect energy scaling method in 2d and 3d. The defect energy is defined by a change in the boundary conditions from those compatible with the true ground state…

Self-consistency improves reasoning by aggregating diverse stochastic samples, yet the dynamics behind its efficacy remain underexplored. We reframe self-consistency as a dynamic distributional alignment problem, revealing that decoding…

Uncertainty quantification is essential for the reliable deployment of machine learning models to high-stakes application domains. Uncertainty quantification is all the more challenging when training distribution and test distribution are…