Related papers: An Improved CVM Entropy Functional for BCC Alloys
Large-scale deployment of smart meters has made it possible to collect sufficient and high-resolution data of residential electric demand profiles. Clustering analysis of these profiles is important to further analyze and comment on…
Practitioners of Bayesian statistics have long depended on Markov chain Monte Carlo (MCMC) to obtain samples from intractable posterior distributions. Unfortunately, MCMC algorithms are typically serial, and do not scale to the large…
Approximating adequate number of clusters in multidimensional data is an open area of research, given a level of compromise made on the quality of acceptable results. The manuscript addresses the issue by formulating a transductive…
Atomic forces are calculated for first-row monohydrides and carbon monoxide within electronic quantum Monte Carlo (QMC). Accurate and efficient forces are achieved by using an improved method for moving variational parameters in variational…
We present a novel cluster-expansion (CE) approach for the first-principles modeling of temperature and concentration dependent alloy properties. While the standard CE method includes temperature effects only via the configurational entropy…
The free energy of a 600-atom Lennard-Jones cluster is calculated as a function of surface and bulk crystallinity in order to study the structural transformations that occur in the core of medium sized clusters. Within the order parameter…
In systems undergoing second order phase transitions, the temperature integral of the specific heat over temperature from zero to the critical temperature is the same in both the normal and ordered phases. This entropy balance relates the…
A detailed description is provided of a new Worm Algorithm, enabling the accurate computation of thermodynamic properties of quantum many-body systems in continuous space, at finite temperature. The algorithm is formulated within the…
The study of fluctuations of particle multiplicities in relativistic heavy-ion reactions has drawn much attention in recent years, because they have been proposed as a probe for underlying dynamics and possible formation of quark-gluon…
A highly anticipated use of quantum computers is the simulation of complex quantum systems including molecules and other many-body systems. One promising method involves directly applying a linear combination of unitaries (LCU) to…
Multi-view clustering (MvC) aims to integrate information from different views to enhance the capability of the model in capturing the underlying data structures. The widely used joint training paradigm in MvC is potentially not fully…
In this work, we developed an efficient approach to compute ensemble averages in systems with pairwise-additive energetic interactions between the entities. Methods involving full enumeration of the configuration space result in exponential…
We examine the logarithmic corrections to the black hole (BH) entropy product formula of outer horizon and inner horizon by taking into account the \emph{effects of statistical quantum fluctuations around the thermal equilibrium} and…
The nucleation of crystals is a prominent phenomenon in science and technology that still lacks a full atomic-scale understanding. Much work has been devoted to identifying order parameters able to track the process, from the inception of…
Aggregation transitions in disordered mesoscopic systems play an important role in several areas of knowledge, from materials science to biology. The lack of a thermodynamic limit in systems that are intrinsically finite makes the…
We demonstrate the applicability of a recently proposed multiscale thermalization algorithm to two-color quantum chromodynamics (QCD) with two mass-degenerate fermion flavors. The algorithm involves refining an ensemble of gauge…
We consider a generic classical many particle system described by an autonomous Hamiltonian $H(x^{_1},...,x^{_{N+2}})$ which, in addition, has a conserved quantity $V(x^{_1},...,x^{_{N+2}})=v$, so that the Poisson bracket $\{H,V \}$…
We have performed a series of N-body/hydrodynamical (TreeSPH) simulations of clusters and groups of galaxies, selected from cosmological N-body simulations within a $\Lambda$CDM framework: these objects have been re-simulated at higher…
Multi-view clustering (MVC) optimally integrates complementary information from different views to improve clustering performance. Although demonstrating promising performance in various applications, most of existing approaches directly…
We introduce a novel Multi-Order Monte Carlo approach for uncertainty quantification in the context of multiscale time-dependent partial differential equations. The new framework leverages Implicit-Explicit Runge-Kutta time integrators to…