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Ab initio molecular dynamics (AIMD) based on density functional theory (DFT) has become a workhorse for studying the structure, dynamics, and reactions in condensed matter systems. Currently, AIMD simulations are primarily carried out at…
In this paper, a Federated Learning (FL) simulation platform is introduced. The target scenario is Acoustic Model training based on this platform. To our knowledge, this is the first attempt to apply FL techniques to Speech Recognition…
We use complex Langevin simulations to study the QCD phase diagram with two light quark flavours. In this study, we use Wilson fermions with an intermediate pion mass of $\sim480\,$MeV. By studying thermodynamic quantities, in particular at…
We construct positive-definite pseudofermion actions for one fermion flavor in lattice field theory, for Wilson and domain-wall fermions respectively. The positive definiteness of these actions ensures that they can be simulated with the…
Optimization and control of complex unsteady flows remains an important challenge due to the large cost of performing a function evaluation, i.e. a full computational fluid dynamics (CFD) simulation. Reducing the number of required function…
Diffusion Transformer (DiT) has driven significant progress in image generation tasks. However, DiT inferencing is notoriously compute-intensive and incurs long latency even on datacenter-scale GPUs, primarily due to its iterative nature…
Quantum Monte Carlo (QMC) methods are often used to calculate properties of many body quantum systems. The main cost of many QMC methods, for example the variational Monte Carlo (VMC) method, is in constructing a sequence of Slater matrices…
We give details of our precise determination of the light quark masses m_{ud}=(m_u+m_d)/2 and m_s in 2+1 flavor QCD, with simulated pion masses down to 120 MeV, at five lattice spacings, and in large volumes. The details concern the action…
There has been an increasing interest in developing efficient immersed boundary method (IBM) based on Cartesian grids, recently in the context of high-order methods. IBM based on volume penalization is a robust and easy to implement method…
In the recent decades of particle accelerator R&D area, fixed field alternating gradient (FFAG) accelerator has become a highlight for some advantages of its higher beam intensity and lower cost, although there are still some technical…
We present the results of testing a new technique for stochastic noise reduction in the calculation of propagators by implementing it in OpenQ*D for two ensembles with O(a) improved Wilson fermion action, with periodic boundary conditions…
An effective means for analyzing the impact of novel operating schemes on power systems is time domain simulation, for example for investigating optimization-based curtailment of renewables to alleviate voltage violations. Traditionally,…
We report the status of nucleon structure calculations on the (2+1)-flavor dynamical domain-wall fermions ensembles with pion masses as low as 180 and 250 MeV on a lattice with about 4.6 fm spatial extent. A combination of the…
Diffusion models (DMs) excel in image generation but suffer from slow inference and training-inference discrepancies. Although gradient-based solvers for DMs accelerate denoising inference, they often lack theoretical foundations in…
We report on a sub-percent scale determination using the omega baryon mass and gradient-flow methods. The calculations are performed on 22 ensembles of $N_f=2+1+1$ highly improved, rooted staggered sea-quark configurations generated by the…
In deep learning, stochastic gradient descent (SGD) and its momentum-based variants are widely used for optimization. However, the internal dynamics of these methods remain underexplored. In this paper, we analyze gradient behavior through…
Force-gradient decomposition methods are used to improve the energy preservation of symplectic schemes applied to Hamiltonian systems. If the potential is composed of different parts with strongly varying dynamics, this multirate potential…
In this work, we investigate the use of data-driven equation discovery for dynamical systems to model and forecast continuous-time dynamics of unconstrained optimization problems. To avoid expensive evaluations of the objective function and…
A new method for implementing the kinetic energy operator for real-space, grid-based electronic structure codes is developed. It is based on multi-order Adaptive Finite Differencing (AFD) and uses atomic pseudo orbitals produced by the…
A development effort to improve the performance of superconducting radio-frequency half-wave resonators (SRF HWRs) is underway at the Facility for Rare Isotope Beams (FRIB), where 220 such resonators are in operation. Our goal was to…