相关论文: Status of dynamical ensemble generation

Based on multiple parallel short molecular dynamics simulation trajectories, we designed the reweighted ensemble dynamics (RED) method to more efficiently sample complex (biopolymer) systems, and to explore their hierarchical metastable…

Ground state energy estimation in physical, chemical, and materials sciences is one of the most promising applications of quantum computing. In this work, we introduce a new hybrid approach that finds the eigenenergies by collecting…

Diffusion models have emerged as preeminent contenders in the realm of generative models. Distinguished by their distinctive sequential generative processes, characterized by hundreds or even thousands of timesteps, diffusion models…

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 consider the basic features of complex dynamical and control systems. Special attention is paid to the problems of synthesis of dynamical models of complex systems, construction of efficient control models, and to the development of…

Given the continuous increase in dataset sizes and the complexity of forecasting models, the trade-off between forecast accuracy and computational cost is emerging as an extremely relevant topic, especially in the context of ensemble…

The globalization of markets and world-wide competition forces manufacturing enterprises to enter into alliances leading to the creation of distributed manufacturing enterprises. Before forming a partnership it is essential to evaluate…

High penetration of distributed generation will be characteristic to future distribution networks. The dynamic, intermittent, uncertain and deregulated nature of distributed generation raises the need for online, distributed economic…

We present latest results of soft and small-x QCD measurements with the CMS experiment, such as minimum bias/underlying event physics, and studies on forward jet production.

In this short note we sketch the statistical physics framework of the replica exchange technique when applied to molecular dynamics simulations. In particular, we draw attention to generalized move sets that allow a variety of optimizations…

Optimizing large-scale wireless networks, including optimal resource management, power allocation, and throughput maximization, is inherently challenging due to their non-observable system dynamics and heterogeneous and complex nature.…

Quench dynamics is an active area of study encompassing condensed matter physics and quantum information, with applications to cold-atomic gases and pump-probe spectroscopy of materials. Recent theoretical progress in studying quantum…

Enhanced sampling algorithms have emerged as powerful methods to extend the utility of molecular dynamics simulations and allow the sampling of larger portions of the configuration space of complex systems in a given amount of simulation…

I review recent theoretical advances in quantum chromodynamics. Particular emphasis is put on developments related to the precise prediction and interpretation of experimental data from present and future high energy colliders.

Results are presented from calculations carried out in the discrete QCD model, concerning multiplicity distributions in rapidity intervals and fluctuations.

A short overview of recent developments on resummations in QCD is presented.

`Dual composition', a new method of constructing energy-preserving discretizations of conservative PDEs, is introduced. It extends the summation-by-parts approach to arbitrary differential operators and conserved quantities. Links to…

Diffusion Models~(DMs) have emerged as the dominant approach in Generative Artificial Intelligence (GenAI), owing to their remarkable performance in tasks such as text-to-image synthesis. However, practical DMs, such as stable diffusion,…

Soft quantum chromodynamics (QCD) measurements play an important role in fundamental QCD studies as well as in tuning of corresponding Monte Carlo generator models for a good description of experimental data. Recent results of soft QCD…

I review recent progress on algorithms for calculating quark propagators and for simulating full QCD.