Related papers: Multiscale enhanced path sampling based on the Ons…
The Matrix Product method (MPM) has been used in the past to generate variational ansatzs of the ground state (GS) of spin chains and ladders. In this paper we apply the MPM to study the GS of conjugated polymers in the valence bond basis,…
In this paper, we present throughput analysis and optimization of bandwidth efficient selective retransmission method at modulation layer for conventional Chase Combining (CC) method under orthogonal frequency division multiplexing (OFDM)…
We model a set of point-to-point transports on a network as a system of polydisperse interacting self-avoiding walks (SAWs) over a finite square lattice. The ends of each SAW may be located both at random, uniformly distributed, positions…
We develop a new compressive sensing (CS) inversion algorithm by utilizing the Gaussian mixture model (GMM). While the compressive sensing is performed globally on the entire image as implemented in our lensless camera, a low-rank GMM is…
Nowadays, multiscale modelling is recognized as the most suitable way to study biological processes. Indeed, almost every phenomenon in nature exhibits a multiscale behaviour, i.e., it is the outcome of interactions that occur at different…
This paper constructs an ensemble-based sampling smoother for four-dimensional data assimilation using a Hybrid/Hamiltonian Monte-Carlo approach. The smoother samples efficiently from the posterior probability density of the solution at the…
Normal molecular dynamics simulations are usually unable to simulate chemical reactions due to the low probability of forming the transition state. Therefore, enhanced sampling methods are implemented to accelerate the occurrence of…
In recent years, Compressed Sensing (CS) has gained significant interest as a technique for acquiring high-resolution sensory data using fewer measurements than traditional Nyquist sampling requires. At the same time, autonomous robotic…
This paper reviews standard oversampling strategies as performed in the Multiscale Finite Element Method (MsFEM). Common to those approaches is that the oversampling is performed in the full space restricted to a patch but including coarse…
EASAL (Efficient Atlasing and Sampling of Assembly Landscapes) is a geometric method for sampling and computing integrals over the potential energy landscape of small molecular assemblies. EASAL's efficiency arises from the fact that small…
This paper proposes an online secondary path modelling (SPM) technique to improve the performance of the modified filtered reference Least Mean Square (FXLMS) algorithm. It can effectively respond to a time-varying secondary path, which…
The particle Gibbs sampler is a Markov chain Monte Carlo (MCMC) algorithm to sample from the full posterior distribution of a state-space model. It does so by executing Gibbs sampling steps on an extended target distribution defined on the…
We present a method to sample reactive pathways via biased molecular dynamics simulations in trajectory space. We show that the use of enhanced sampling techniques enables unconstrained exploration of multiple reaction routes. Time…
A first-principle multiscale modeling approach is presented, which is derived from the solution of the Ornstein-Zernike equation for the coarse-grained representation of polymer liquids. The approach is analytical, and for this reason is…
We introduce a new framework for efficient sampling from complex probability distributions, using a combination of optimal transport maps and the Metropolis-Hastings rule. The core idea is to use continuous transportation to transform…
We propose a new sampling algorithm combining two quite powerful ideas in the Markov chain Monte Carlo literature -- adaptive Metropolis sampler and two-stage Metropolis-Hastings sampler. The proposed sampling method will be particularly…
In this paper, we present a mixed Generalized Multiscale Finite Element Method (GMsFEM) for solving flow in heterogeneous media. Our approach constructs multiscale basis functions following a GMsFEM framework and couples these basis…
The orthogonal multi-matching pursuit (OMMP) is a natural extension of orthogonal matching pursuit (OMP). We denote the OMMP with the parameter $M$ as OMMP(M) where $M\geq 1$ is an integer. The main difference between OMP and OMMP(M) is…
To quantify the progress in development of algorithms and forcefields used in molecular simulations, a method for the assessment of the sampling quality is needed. We propose a general method to assess the sampling quality through the…
Atomistic simulations provide valuable insights into the physical processes governing material behavior. However, their applicability is fundamentally constrained by the limited time scales accessible to brute-force simulations. This…