Related papers: Optimized replica gas estimation of absolute integ…
Residual entropy, which reflects the degrees of freedom in a system at absolute zero temperature, is crucial for understanding quantum and classical ground states. Despite its key role in explaining low-temperature phenomena and ground…
In panel data subject to nonignorable attrition, auxiliary (refreshment) sampling may restore full identification under weak assumptions on the attrition process. Despite their generality, these identification strategies have seen limited…
In this thesis, we review and examine the replica method from several viewpoints. The replica method is a mathematical technique to calculate general moments of stochastic variables. This method provides a systematic way to evaluate…
Based on the algorithm Informed Importance Tempering (IIT) proposed by Li et al. (2023) we propose an algorithm that uses an adaptive bounded balancing function. We argue why implementing parallel tempering where each replica uses a…
The absolute free energy -- or partition function, equivalently -- of a molecule can be estimated computationally using a suitable reference system. Here, we demonstrate a practical method for staging such calculations by growing a molecule…
This paper investigates the use of stratified sampling as a variance reduction technique for approximating integrals over large dimensional spaces. The accuracy of this method critically depends on the choice of the space partition, the…
An energy efficient use of large scale sensor networks necessitates activating a subset of possible sensors for estimation at a fusion center. The problem is inherently combinatorial; to this end, a set of iterative, randomized algorithms…
It is well-known that by adding integrality constraints to the semidefinite programming (SDP) relaxation of the max-cut problem, the resulting integer semidefinite program is an exact formulation of the problem. In this paper we show…
Feynman integral reduction by means of integration-by-parts identities is a major power gadget in a theorist toolbox indispensable for calculation of multiloop quantum effects relevant for particle phenomenology and formal theory alike. An…
Suppose that a mobile sensor describes a Markovian trajectory in the ambient space. At each time the sensor measures an attribute of interest, e.g., the temperature. Using only the location history of the sensor and the associated…
The uniform electron gas (UEG) at finite temperature is of high current interest due to its key relevance for many applications including dense plasmas and laser excited solids. In particular, density functional theory heavily relies on…
Coarse-grained models are a core computational tool in theoretical chemistry and biophysics. A judicious choice of a coarse-grained model can yield physical insight by isolating the essential degrees of freedom that dictate the…
Algorithms for computing rational generating functions of solutions of one-dimensional difference equations are well-known and easy to implement. We propose an algorithm for computing rational generating functions of solutions of…
An algorithm for irreducible decomposition of representations of finite groups over fields of characteristic zero is described. The algorithm uses the fact that the decomposition induces a partition of the invariant inner product into a…
Simulation and control of the transient flow in natural gas networks involve solving partial differential equations (PDEs). This paper proposes a semi-analytical solutions (SAS) approach for fast and accurate simulation of the natural gas…
Sampling Boltzmann probability distributions plays a key role in machine learning and optimization, motivating the design of hardware accelerators such as Ising machines. While the Ising model can in principle encode arbitrary optimization…
We carry out highly accurate \emph{ab initio} path integral Monte Carlo (PIMC) simulations to directly estimate the free energy of various warm dense matter systems including the uniform electron gas and hydrogen without any nodal…
An efficient Path Integral Monte Carlo procedure is proposed to simulate the behavior of quantum many-body dissipative systems described within the framework of the influence functional. Thermodynamic observables are obtained by Monte Carlo…
Employing heuristic susceptibility equations in conjunction with the well-known critical exponents, the magnetization and partition function for two-dimensional nearest neighbour Ising models are formulated in terms of the Gauss…
A generalization of the semiclassical approximation is suggested allowing for an essential extension of its region of applicability. In particular, it becomes possible to describe Bose-Einstein condensation of a trapped gas in…