Related papers: Optimizing Conical Intersections Without Explicit …
This paper investigates the energy efficiency (EE) optimization in downlink multi-cell massive multiple-input multiple-output (MIMO). In our research, the statistical channel state information (CSI) is exploited to reduce the signaling…
Stochastic differential equations (SDEs) using jump-diffusion processes describe many natural phenomena at the microscopic level. Since they are commonly used to model economic and financial evolutions, the calibration and optimal control…
The exponential scaling of complete active space (CAS) and full configuration interaction (CI) calculations limits the ability of quantum chemists to simulate the electronic structures of strongly correlated systems. Herein, we present…
We report a biased QM/MM molecular dynamics study of the dissociation process of cytidine-cytidine complexes mediated by Ag+ or H+ ions. We performed calculations under real solvent conditions and obtained the free energy profiles (FEP) by…
An efficient machine-learning-based method combined with a conventional local optimization technique has been proposed for exploring local energy minima of interstitial species in a crystal. In the proposed method, an effective initial…
This work deals with shape optimization for contact mechanics. More specifically, the linear elasticity model is considered under the small deformations hypothesis, and the elastic body is assumed to be in contact (sliding or with Tresca…
Discrete energy minimization is a ubiquitous task in computer vision, yet is NP-hard in most cases. In this work we propose a multiscale framework for coping with the NP-hardness of discrete optimization. Our approach utilizes algebraic…
An important question for the practical applicability of the highly efficient traffic intersection control is about the minimal level of intelligence the vehicles need to have so as to move beyond the traffic light control. We propose an…
This paper investigates two FEM-BEM coupling formulations for acoustic fluid-structure interaction (FSI) problems, using the Finite Element Method (FEM) to model the structure and the Boundary Element Method (BEM) to represent a linear…
In this paper, we present an efficient adaptive multigrid strategy for the geometry optimization of large-scale three dimensional molecular mechanics. The resulting method can achieve significantly reduced complexity by exploiting the…
Casimir forces between conductors at the sub-micron scale cannot be ignored in the design and operation of micro-electromechanical (MEM) devices. However, these forces depend non-trivially on geometry, and existing formulae and…
We show that Covariance Intersection (CI) is optimal amongst all conservative unbiased linear fusion rules also in the general case of information fusion of two unbiased partial state estimates, significantly generalizing the known…
In the present work, a novel particle merging scheme is proposed for PIC-DSMC simulations, based on the solution of a Non-negative Least Squares problem. The merging algorithm conserves arbitrary moments of the velocity distribution…
An iterative optimization approach that simultaneously minimizes the energy and optimizes the Lagrange multipliers enforcing desired constraints is presented. The method is tested on previously established benchmark systems and it is proved…
We introduce an FFT-based solver for the combinatorial continuous maximum flow discretization applied to computing the minimum cut through heterogeneous microstructures. Recently, computational methods were introduced for computing the…
The alternating direction method of multipliers (ADMM) has emerged as a powerful technique for large-scale structured optimization. Despite many recent results on the convergence properties of ADMM, a quantitative characterization of the…
Because of their multimodality, mixture posterior distributions are difficult to sample with standard Markov chain Monte Carlo (MCMC) methods. We propose a strategy to enhance the sampling of MCMC in this context, using a biasing procedure…
We consider the problem of sampling transition paths between two given metastable states of a molecular system, e.g. a folded and unfolded protein or products and reactants of a chemical reaction. Due to the existence of high energy…
We address the problem of optimally controlling connected and automated vehicles (CAVs) crossing an urban intersection without any explicit traffic signaling, so as to minimize energy consumption subject to a throughput maximization…
Parameter inference for stochastic differential equation mixed effects models (SDEMEMs) is a challenging problem. Analytical solutions for these models are rarely available, which means that the likelihood is also intractable. In this case,…