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Equilibrium statistics of Hamiltonian systems is correctly described by the microcanonical ensemble. Classically this is the manifold of all points in the N-body phase space with the given total energy. Due to Boltzmann's principle,…
Machine learning (ML) methods have drawn significant interest in material design and discovery. Graph neural networks (GNNs), in particular, have demonstrated strong potential for predicting material properties. The present study proposes a…
We made a comparative analysis of numerical methods for multidimensional optimization. The main parameter is a number of computations of the test function to reach necessary accuracy, as it is computationally "slow". For complex functions,…
Hamiltonian Monte Carlo is a widely used algorithm for sampling from posterior distributions of complex Bayesian models. It can efficiently explore high-dimensional parameter spaces guided by simulated Hamiltonian flows. However, the…
We report a fully inclusive measurement of the flavour changing neutral current decay b->s gamma in the energy range 1.8 GeV < E* < 2.8 GeV, covering 95% of the total spectrum. Using 140 fb^-1 we obtain BF(b->s gamma)= 3.55 +/- 0.32…
We apply the formally exact Diagrammatic Monte Carlo (DiagMC) method to probe the unprecedentedly low-temperature regime recently achieved in an ultracold-atom quantum simulation of the 2D Hubbard model [Xu et al., Nature 642, 909 (2025)].…
Conditional average treatment effects (CATEs) allow us to understand the effect heterogeneity across a large population of individuals. However, typical CATE learners assume all confounding variables are measured in order for the CATE to be…
The algorithm for Monte Carlo simulation of parton-level events based on an Artificial Neural Network (ANN) proposed in arXiv:1810.11509 is used to perform a simulation of $H\to 4\ell$ decay. Improvements in the training algorithm have been…
Monte-Carlo sampling of lattice model Hamiltonians is a well-established technique in statistical mechanics for studying the configurational entropy of crystalline materials. When species to be distributed on the lattice model carry charge,…
Estimating the eigenvalue or energy gap of a Hamiltonian H is vital for studying quantum many-body systems. Particularly, many of the problems in quantum chemistry, condensed matter physics, and nuclear physics investigate the energy gap…
A comparison of the inclusive photon energy spectrum in the radiative decay $\BGAMAXS$, measured recently by the CLEO collaboration, with the standard model is presented, using a $B$-meson wave function model and improving earlier…
In complex systems with many degrees of freedom such as spin glass and biomolecular systems, conventional simulations in canonical ensemble suffer from the quasi-ergodicity problem. A simulation in generalized ensemble performs a random…
Calculating a Monte Carlo standard error (MCSE) is an important step in the statistical analysis of the simulation output obtained from a Markov chain Monte Carlo experiment. An MCSE is usually based on an estimate of the variance of the…
Using results on soft-collinear factorization for inclusive B-meson decay distributions, a systematic study of the partial $B\to X_s\gamma$ decay rate with a cut $E_\gamma > E_0$ on photon energy is performed. For values of $E_0$ below…
We present a measurement of the branching fraction and photon energy spectrum for the decay B --> X_s gamma using data from the BaBar experiment. The data sample corresponds to an integrated luminosity of 210 fb^{-1}, from which…
We present a quantum Monte Carlo method which allows calculations on many-fermion systems at finite temperatures without any sign decay. This enables simulations of the grand-canonical ensemble at large system sizes and low temperatures.…
We present a method for sampling microscopic configurations of a physical system distributed according to a canonical (Boltzmann-Gibbs) measure, with a constraint holding in average. Assuming that the constraint can be controlled by the…
We consider a small Hamiltonian system strongly interacting with a much larger Hamiltonian system (the bath), while being driven by both a time-dependent control parameter and non-conservative forces. The joint system is assumed to be…
Particle-level measurements, especially of differential cross-sections, made in fiducial regions of phase-space have a high degree of model-independence and can therefore be used to give information about a wide variety of Beyond the…
Free energy calculations based on atomistic Hamiltonians provide microscopic insight into the thermodynamic driving forces of biophysical or condensed matter systems. Many approaches use intermediate Hamiltonians interpolating between the…