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We propose two efficient algorithms for configurational sampling of systems with rough energy landscape. The first one is a new method for the determination of the multicanonical weight factor. In this method a short replica-exchange…
Measurement-based quantum computation (MBQC) and holonomic quantum computation (HQC) are two very different computational methods. The computation in MBQC is driven by adaptive measurements executed in a particular order on a large…
Materials with heterogeneous structures exhibit complex physical processes such as delamination, cracks, and plasticity, which require micromechanical parameters for understanding. However, identifying these parameters is challenging due to…
Mamba-based models, VMamba and Vim, are a recent family of vision encoders that offer promising performance improvements in many computer vision tasks. This paper compares Mamba-based models with traditional Convolutional Neural Networks…
Generalized-ensemble Monte Carlo simulations such as the multicanonical method and similar techniques are among the most efficient approaches for simulations of systems undergoing discontinuous phase transitions or with rugged free- energy…
This paper proposes a symbolic-numeric Bayesian filtering method for a class of discrete-time nonlinear stochastic systems to achieve high accuracy with a relatively small online computational cost. The proposed method is based on the…
We present a comprehensive comparison of different Markov Chain Monte Carlo (MCMC) sampling methods, evaluating their performance on both standard test problems and cosmological parameter estimation. Our analysis includes traditional…
The Hamiltonian Monte Carlo (HMC) method has been recognized as a powerful sampling tool in computational statistics. We show that performance of HMC can be significantly improved by incorporating importance sampling and an irreversible…
The Linear Ballistic Accumulator (Brown & Heathcote, 2008) model is used as a measurement tool to answer questions about applied psychology. The analyses based on this model depend upon the model selected and its estimated parameters.…
The sensitivity of the Statistical Multifragmentation Model to the underlying statistical assumptions is investigated. We concentrate on its micro-canonical, canonical, and isobaric formulations. As far as average values are concerned, our…
Different holographic dark-energy models are studied from a unifying point of view. We compare models for which the Hubble scale, the future event horizon or a quantity proportional to the Ricci scale are taken as the infrared cutoff…
In biomolecular systems (especially all-atom models) with many degrees of freedom such as proteins and nucleic acids, there exist an astronomically large number of local-minimum-energy states. Conventional simulations in the canonical…
We provide analysis of the convergence properties and applicability extensions of flat-histogram algorithms, with a particular focus on the Wang-Landau algorithms (exemplified by converging stochastic approximation Monte Carlo (SAMC)) and…
Multimodal medical image fusion integrates complementary information from different imaging modalities to enhance diagnostic accuracy and treatment planning. While deep learning methods have advanced performance, existing approaches face…
Bayesian Model Averaging (BMA) is an application of Bayesian inference to the problems of model selection, combined estimation and prediction that produces a straightforward model choice criteria and less risky predictions. However, the…
The critique against using Boltzmann's microcanonical entropy, an "ensemble measure", as foundation of statistics is rebuffed. The confusion of the microcanonical distribution with the exponential Boltzmann-Gibbs (``BG'') distribution is…
A new approach is introduced to classify faults in rotating machinery based on the total energy signature estimated from sensor measurements. The overall goal is to go beyond using black-box models and incorporate additional physical…
Free energy calculations based on atomistic Hamiltonians and sampling are key to a first principles understanding of biomolecular processes, material properties, and macromolecular chemistry. Here, we generalize the Free Energy Perturbation…
We study a reweighting method aiming at numerical studies of QCD at finite density, in which the conventional Monte-Carlo method cannot be applied directly. One of the most important problems in the reweighting method is the overlap…
This work focuses on learning non-canonical Hamiltonian dynamics from data, where long-term predictions require the preservation of structure both in the learned model and in numerical schemes. Previous research focused on either facet,…