Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations

In adaptive resolution simulations, molecular fluids are modeled employing different levels of resolution in different subregions of the system. When traveling from one region to the other, particles change their resolution on the fly. One of the main advantages of such approaches is the computational efficiency gained in the coarse-grained region. In this respect the best coarse-grained system to employ in the low resolution region would be the ideal gas, making intermolecular force calculations in the coarse-grained subdomain redundant. In this case, however, a smooth coupling is challenging due to the high energetic imbalance between typical liquids and a system of non-interacting particles. In the present work, we investigate this approach, using as a test case the most biologically relevant fluid, water. We demonstrate that a successful coupling of water to the ideal gas can be achieved with current adaptive resolution methods, and discuss the issues that remain to be addressed

Multi-scale uncertainty quantification in geostatistical seismic inversion

Geostatistical seismic inversion is commonly used to infer the spatial distribution of the subsurface petro-elastic properties by perturbing the model parameter space through iterative stochastic sequential simulations/co-simulations. The spatial uncertainty of the inferred petro-elastic properties is represented with the updated a posteriori variance from an ensemble of the simulated realizations. Within this setting, the large-scale geological (metaparameters) used to generate the petro-elastic realizations, such as the spatial correlation model and the global a priori distribution of the properties of interest, are assumed to be known and stationary for the entire inversion domain. This assumption leads to underestimation of the uncertainty associated with the inverted models. We propose a practical framework to quantify uncertainty of the large-scale geological parameters in seismic inversion. The framework couples geostatistical seismic inversion with a stochastic adaptive sampling and Bayesian inference of the metaparameters to provide a more accurate and realistic prediction of uncertainty not restricted by heavy assumptions on large-scale geological parameters. The proposed framework is illustrated with both synthetic and real case studies. The results show the ability retrieve more reliable acoustic impedance models with a more adequate uncertainty spread when compared with conventional geostatistical seismic inversion techniques. The proposed approach separately account for geological uncertainty at large-scale (metaparameters) and local scale (trace-by-trace inversion)

Co-simulation of Continuous Systems: A Tutorial

Co-simulation consists of the theory and techniques to enable global simulation of a coupled system via the composition of simulators. Despite the large number of applications and growing interest in the challenges, the field remains fragmented into multiple application domains, with limited sharing of knowledge. This tutorial aims at introducing co-simulation of continuous systems, targeted at researchers new to the field

Reciprocity Calibration for Massive MIMO: Proposal, Modeling and Validation

This paper presents a mutual coupling based calibration method for time-division-duplex massive MIMO systems, which enables downlink precoding based on uplink channel estimates. The entire calibration procedure is carried out solely at the base station (BS) side by sounding all BS antenna pairs. An Expectation-Maximization (EM) algorithm is derived, which processes the measured channels in order to estimate calibration coefficients. The EM algorithm outperforms current state-of-the-art narrow-band calibration schemes in a mean squared error (MSE) and sum-rate capacity sense. Like its predecessors, the EM algorithm is general in the sense that it is not only suitable to calibrate a co-located massive MIMO BS, but also very suitable for calibrating multiple BSs in distributed MIMO systems. The proposed method is validated with experimental evidence obtained from a massive MIMO testbed. In addition, we address the estimated narrow-band calibration coefficients as a stochastic process across frequency, and study the subspace of this process based on measurement data. With the insights of this study, we propose an estimator which exploits the structure of the process in order to reduce the calibration error across frequency. A model for the calibration error is also proposed based on the asymptotic properties of the estimator, and is validated with measurement results.Comment: Submitted to IEEE Transactions on Wireless Communications, 21/Feb/201

Integration of continuous-time dynamics in a spiking neural network simulator

Contemporary modeling approaches to the dynamics of neural networks consider two main classes of models: biologically grounded spiking neurons and functionally inspired rate-based units. The unified simulation framework presented here supports the combination of the two for multi-scale modeling approaches, the quantitative validation of mean-field approaches by spiking network simulations, and an increase in reliability by usage of the same simulation code and the same network model specifications for both model classes. While most efficient spiking simulations rely on the communication of discrete events, rate models require time-continuous interactions between neurons. Exploiting the conceptual similarity to the inclusion of gap junctions in spiking network simulations, we arrive at a reference implementation of instantaneous and delayed interactions between rate-based models in a spiking network simulator. The separation of rate dynamics from the general connection and communication infrastructure ensures flexibility of the framework. We further demonstrate the broad applicability of the framework by considering various examples from the literature ranging from random networks to neural field models. The study provides the prerequisite for interactions between rate-based and spiking models in a joint simulation

Design of Dispersive Delay Structures (DDSs) Formed by Coupled C-Sections Using Predistortion with Space Mapping

The concept of space mapping is applied, for the first time, to the design of microwave dispersive delay structures (DDSs). DDSs are components providing specified group delay versus frequency responses for real-time radio systems. The DDSs considered in this paper are formed by cascaded coupled C-sections. It is first shown that aggressive space mapping does not provide sufficient accuracy in the synthesis of DDSs. To address this issue, we propose a predistortion space mapping technique. Compared to aggressive space mapping, this technique provides enhanced accuracy, while compared to output space mapping, it provides greater implementation simplicity. Two full-wave and one experimental examples are provided to illustrate the proposed predistortion space mapping technique