相关论文: Non-empirical weighted Langevin mechanics for the …

The challenging problem of conducting fully Bayesian inference for the reaction rate constants governing stochastic kinetic models (SKMs) is considered. Given the challenges underlying this problem, the Markov jump process representation is…

The maximum entropy principle (MEP) apparently allows us to derive, or justify, fundamental results of equilibrium statistical mechanics. Because of this, a school of thought considers the MEP as a powerful and elegant way to make…

We develop a novel class of MCMC algorithms based on a stochastized Nesterov scheme. With an appropriate addition of noise, the result is a time-inhomogeneous underdamped Langevin equation, which we prove emits a specified target…

We present a method for pursuit/evasion that is highly efficient and and scales to large teams of aircraft. The underlying algorithm is an efficient algorithm for solving Markov Decision Processes (MDPs) that supports fully continuous state…

The Markov entropy decomposition (MED) is a recently-proposed, cluster-based simulation method for finite temperature quantum systems with arbitrary geometry. In this paper, we detail numerical algorithms for performing the required steps…

We introduce a set of techniques that allow for efficiently generating many independent random walks in the Massive Parallel Computation (MPC) model with space per machine strongly sublinear in the number of vertices. In this…

The minimum-gain eigenvalue assignment/pole placement problem (MGEAP) is a classical problem in LTI systems with static state feedback. In this paper, we study the MGEAP when the state feedback has arbitrary sparsity constraints. We…

In the last few decades, several novel algorithms have been designed for finding critical points on PES and the minimum energy paths connecting them. This has led to considerably improve our understanding of reaction mechanisms and kinetics…

Lagrangian particle methods based on detailed atomic and molecular models are powerful computational tools for studying the dynamics of microscale and nanoscale systems. However, the maximum time step is limited by the smallest oscillation…

Searching for collisions in random functions is a fundamental computational problem, with many applications in symmetric and asymmetric cryptanalysis. When one searches for a single collision, the known quantum algorithms match the query…

This paper studies a classic maximum entropy sampling problem (MESP), which aims to select the most informative principal submatrix of a prespecified size from a covariance matrix. MESP has been widely applied to many areas, including…

Novel Markov Chain Monte Carlo (MCMC) methods have enabled the generation of large ensembles of redistricting plans through graph partitioning. However, existing algorithms such as Reversible Recombination (RevReCom) and Metropolized Forest…

This paper addresses the sparse representation (SR) problem within a general Bayesian framework. We show that the Lagrangian formulation of the standard SR problem, i.e., $\mathbf{x}^\star=\arg\min_\mathbf{x} \lbrace \|…

The escape rate of a Brownian particle over a potential barrier is accurately described by the Kramers theory. A quantitative theory explicitly taking the activity of Brownian particles into account has been lacking due to the inherently…

We present a nearly-linear time algorithm for finding a minimum-cost flow in planar graphs with polynomially bounded integer costs and capacities. The previous fastest algorithm for this problem is based on interior point methods (IPMs) and…

The computational efficiency of stochastic simulation algorithms is notoriously limited by the kinetic trapping of the simulated trajectories within low energy basins. Here we present a new method that overcomes kinetic trapping while still…

With the increasing adoption of plug-in electric vehicles (PEVs), it is critical to develop efficient charging coordination mechanisms that minimize the cost and impact of PEV integration to the power grid. In this paper, we consider the…

We introduce a general procedure for directly ascertaining how many independent stochastic sources exist in a complex system modeled through a set of coupled Langevin equations of arbitrary dimension. The procedure is based on the…

Emergency navigation algorithms direct evacuees to exits when disastrous events such as fire take place. Due to the spread of hazards, latency in information updating and unstable flows of civilians, emergency evacuation is absolutely a…

A main distinguishing feature of non-Hermitian quantum mechanics is the presence of exceptional points (EPs). They correspond to the coalescence of two energy levels and their respective eigenvectors. Here, we use the Lipkin-Meshkov-Glick…