相关论文: Accelerated sampling by infinite swapping of path …
We extend the spectral method for proving limit theorems to random non-uniformly expanding dynamical systems. This yields the CLT and moderate deviations principles (MDP). We show that as the amount of non-uniformity decreases the CLT rates…
Integrated task and motion planning problems describe a multi-modal state space, which is often abstracted as a set of smooth manifolds that are connected via sets of transitions states. One approach to solving such problems is to sample…
We report ab initio excited-state dynamics simulations on isolated thymine to investigate the mechanism of intersystem crossing, based on CASSCF potential energy surfaces and the \textsc{Sharc} surface hopping method. We show that even…
Hamiltonian Monte Carlo (HMC) is a popular method in sampling. While there are quite a few works of studying this method on various aspects, an interesting question is how to choose its integration time to achieve acceleration. In this…
Sampling-based model predictive control methods like MPPI and CEM are essential for real-time control of nonlinear robotic systems, particularly where discontinuous dynamics preclude gradient-based optimization. However, these methods…
In order to perform numerical studies of long-term stability in nonlinear Hamiltonian systems, one needs a numerical integration algorithm which is symplectic. Further, this algorithm should be fast and accurate. In this paper, we propose…
We propose a new generalized-ensemble algorithm, which we refer to as the multicanonical-multioverlap algorithm. By utilizing a non-Boltzmann weight factor, this method realizes a random walk in the multi-dimensional, energy-overlap space…
Atmospheric systems incorporating thermal dynamics must be stable with respect to both energy and entropy. While energy conservation can be enforced via the preservation of the skew-symmetric structure of the Hamiltonian form of the…
The surface states of intrinsic higher order topological phases are protected by the spatial symmetries of a finite sample. This property makes the existing scattering theory of topological invariants inapplicable because the scattering…
We propose a general framework for a hybrid continuous-discrete algorithm that integrates continuous-time deterministic dynamics with Metropolis-Hastings steps to combine search dynamics with and without detailed balance. Our purpose is to…
Real-time dynamics techniques have proven increasingly useful in understanding strongly correlated systems both theoretically and experimentally. By employing unbiased time-resolved exact diagonalization, we study pump dynamics in the…
We derive and introduce anisotropic effective pair potentials to coarse-grain solutions of semiflexible rings polymers of various lengths. The system has been recently investigated by means of full monomer-resolved computer simulations,…
We consider interacting particle systems with unbounded interaction range on general countably infinite graphs $S$ and prove explicit non-asymptotic error bounds for approximations of the infinite-volume dynamics by systems of finitely many…
Multiscale mixed methods based on non-overlapping domain decompositions can efficiently handle the solution of significant subsurface flow problems in very heterogeneous formations of interest to the industry, especially when implemented on…
The control of thermal radiation by shaping its spatial and spectral emission characteristics plays a key role in many areas of science and engineering. Conventional approaches to tailor thermal emission using metamaterials are severely…
Surface hopping algorithms, as an important class of quantum dynamics simulation algorithms for non-adiabatic dynamics, are typically performed in the adiabatic representation, which can break down in the presence of ill-defined adiabatic…
Large optimal transport problems can be approached via domain decomposition, i.e. by iteratively solving small partial problems independently and in parallel. Convergence to the global minimizers under suitable assumptions has been shown in…
In this manuscript, we present a novel approach for sampling from a continuous multivariate probability distribution, which may either be explicitly known (up to a normalization factor) or represented via empirical samples. Our method…
We introduce and analyse the kinetic random-field nonreciprocal Ising model, which incorporates bimodal (double-delta) diffusive disorder along with pairwise nonreciprocal interactions between two different species. Using mean-field and…
We study the asymptotic limit of the Cahn-Hilliard equation on an evolving surface with prescribed velocity. The method of formally matched asymptotic expansions is extended to account for the movement of the domain. We consider various…