Related papers: Parallel Tempered Metadynamics
Self-driving laboratories (SDLs) consist of multiple stations that perform material synthesis and characterisation tasks. To minimize station downtime and maximize experimental throughput, it is practical to run experiments in asynchronous…
The timestep of the Finite-Difference Time-Domain method (FDTD) is constrained by the stability limit known as the Courant-Friedrichs-Lewy (CFL) condition. This limit can make FDTD simulations quite time consuming for structures containing…
This paper proposes a control algorithm for stable implementation of asynchronous parallel quadratic programming (PQP) through dual decomposition technique. In general, distributed and parallel optimization requires synchronization of data…
Hybrid parallelism techniques are essential for efficiently training large language models (LLMs). Nevertheless, current automatic parallel planning frameworks often overlook the simultaneous consideration of node heterogeneity and dynamic…
In systems with frustration, the critical slowdown of the dynamics severely impedes the numerical study of phase transitions for even the simplest of lattice models. In order to help sidestep the gelation-like sluggishness, a clearer…
This paper proposes a parallelizable algorithm for linear-quadratic model predictive control (MPC) problems with state and input constraints. The algorithm itself is based on a parallel MPC scheme that has originally been designed for…
Path integrals describing quantum many-body systems can be calculated with Monte Carlo sampling techniques, but average quantities are often subject to signal-to-noise ratios that degrade exponentially with time. A phase-reweighting…
Asynchronous protocols have been shown to improve the scalability of federated learning (FL) with a massive number of clients. Meanwhile, momentum-based methods can achieve the best model quality in synchronous FL. However, naively applying…
We develop a perturbation theory of quantum (and classical) master equations with slowly varying parameters, applicable to systems which are externally controlled on a time scale much longer than their characteristic relaxation time. We…
We have introduced a variational method to improve the computation of integrated correlation times in the Parallel Tempering Dynamics, obtaining a better estimate (a lower bound, at least) of the exponential correlation time. Using this…
We introduce an algorithm to systematically improve the efficiency of parallel tempering Monte Carlo simulations by optimizing the simulated temperature set. Our approach is closely related to a recently introduced adaptive algorithm that…
Pseudo-arclength continuation is a well-established method for generating a numerical curve approximating the solution of an underdetermined system of nonlinear equations. It is an inherently sequential predictor-corrector method in which…
We consider parallel simulations for asynchronous systems employing L processing elements that are arranged on a ring. Processors communicate only among the nearest neighbors and advance their local simulated time only if it is guaranteed…
Dynamic circuits use real-time outcomes of mid-circuit measurements, processed by a classical controller, to adapt subsequent operations during circuit execution. This additional flexibility over static circuits comes at a price.…
Combinatorial optimization algorithms which compute exact ground state configurations in disordered magnets are seen to exhibit critical slowing down at zero temperature phase transitions. Using arguments based on the physical picture of…
Quality-Diversity (QD) optimization algorithms are a well-known approach to generate large collections of diverse and high-quality solutions. However, derived from evolutionary computation, QD algorithms are population-based methods which…
Model Predictive Control (MPC) has established itself as the primary methodology for constrained control, enabling autonomy across diverse applications. While model fidelity is crucial in MPC, solving the corresponding optimization problem…
Coupled map lattices are paradigmatic models of many collective phenomena. However, quite different patterns can emerge depending on the updating scheme. While in early versions, maps were updated synchronously, there has been in recent…
Metadynamics is a powerful method to accelerate molecular dynamics simulations, but its efficiency critically depends on the identification of collective variables that capture the slow modes of the process. Unfortunately, collective…
The athermal quasistatic deformation method provides an elegant solution to overcome the limitation of short time spans in molecular simulations. It provides overdamped conditions, allowing for the extraction of purely structural responses…