Free energy surface reconstruction from umbrella samples using Gaussian process regression II: Multiple collective variables

We demonstrate how a prior assumption of smoothness can be used to enhance the reconstruction of free energy profiles from multiple umbrella sampling simulations using the Bayesian Gaussian process regression approach. The method we derive allows the concurrent use of histograms and free energy gradients and can easily be extended to include further data. In Part I we review the necessary theory and test the method for one collective variable. We demonstrate improved performance with respect to the weighted histogram analysis method and obtain meaningful error bars without any significant additional computation. In Part II we consider the case of multiple collective variables and compare to a reconstruction using least squares fitting of radial basis functions. We find substantial improvements in the regimes of spatially sparse data or short sampling trajectories. A software implementation is made available on www.libatoms.org.

Inhibitory Synaptic Plasticity - Spike timing dependence and putative network function.

While the plasticity of excitatory synaptic connections in the brain has been widely studied, the plasticity of inhibitory connections is much less understood. Here, we present recent experimental and theoretical □ndings concerning the rules of spike timing-dependent inhibitory plasticity and their putative network function. This is a summary of a workshop at the COSYNE conference 2012.

The toughness of adipose tissue: measurements and physical basis.

The measured toughness J(C) of adipose and dermal porcine tissues are 4.1 and 17 kJ m(-2), respectively, via a trouser tear test. An assessment is made of the contribution to overall toughness from the microstructural elements. The analysis suggests that the toughness of adipose tissue is determined by the collagen network that surrounds the adipocytes. The volume fraction of the interlobular septa is sufficiently low for it to make a negligible contribution to the macroscopic toughness.

A supply network configuration perspective on international supply chain development

Purpose - The purpose of this paper is to explore the impact of configuration on supply network capability. It was believed that a configuration perspective might provide new insights on the capability and performance of supply networks, a gap in the literature, and provide a basis for the development of tools to aid their analysis and design. Design/methodology/ approach - The methodology involved the development of a configuration definition and mapping approach extending established strategic and firm level constructs to the network operational level. The resulting tools were tested and refined in a series of case studies across a range of sectors and value chain models. Supply network capability assessments, from the perspective of the focal firm, were then compared with their configuration profiles. Findings - The configuration mapping tools were found to give new insights into the structure of supply networks and allow comparisons to be made across sectors and business models through the use of consistent and quantitative methods and common presentation. They provide the foundations for linking configuration to capability and performance, and contribute to supply network design and development by highlighting the intrinsic capabilities associated with different configurations. Research limitations/implications - Although multiple case networks have been investigated, the configuration exemplars remain suggestive models. The research suggests that a re-evaluation of operational process excellence models is needed, where the link between process maturity and performance may require a configuration context. Practical implications - Advantages of particular configurations have been identified with implications for supply network development and industrial policy. Originality/value - The paper seeks to develop established strategic management configuration concepts to the analysis and design of supply networks by providing a robust operational definition of supply network configuration and novel tools for their mapping and assessment. © Emerald Group Publishing Limited.

An experimental model of relay deployment planning tool for a wireless sensor network system to monitor civil engineering structures

It is essential to monitor deteriorated civil engineering structures cautiously to detect symptoms of their serious disruptions. A wireless sensor network can be an effective system for monitoring civil engineering structures. It is fast to deploy sensors especially in difficult-to-access areas, and it is extendable without any cable extensions. Since our target is to monitor deteriorations of civil engineering structures such as cracks at tunnel linings, most of the locations of sensors are known, and sensors are not required to move dynamically. Therefore, we focus on developing a deployment plan of a static network in order to reduce the value of a cost function such as initial installation cost and summation of communication distances of the network. The key issue of the deployment is the location of relays that forward sensing data from sensors to a data collection device called a gateway. In this paper, we propose a relay deployment-planning tool that can be used to design a wireless sensor network for monitoring civil engineering structures. For the planning tool, we formalize the model and implement a local search based algorithm to find a quasi-optimal solution. Our solution guarantees two routings from a sensor to a gateway, which can provide higher reliability of the network. We also show the application of our experimental tool to the actual environment in the London Underground.

Robust F0 estimation based on a multi-microphone periodicity function for distant-talking speech

This work addresses the problem of deriving F0 from distanttalking speech signals acquired by a microphone network. The method here proposed exploits the redundancy across the channels by jointly processing the different signals. To this purpose, a multi-microphone periodicity function is derived from the magnitude spectrum of all the channels. This function allows to estimate F0 reliably, even under reverberant conditions, without the need of any post-processing or smoothing technique. Experiments, conducted on real data, showed that the proposed frequency-domain algorithm is more suitable than other time-domain based ones.

Neuro-Fuzzy genetic system for selection of construction project managers

Choosing a project manager for a construction project—particularly, large projects—is a critical project decision. The selection process involves different criteria and should be in accordance with company policies and project specifications. Traditionally, potential candidates are interviewed and the most qualified are selected in compliance with company priorities and project conditions. Precise computing models that could take various candidates’ information into consideration and then pinpoint the most qualified person with a high degree of accuracy would be beneficial. On the basis of the opinions of experienced construction company managers, this paper, through presenting a fuzzy system, identifies the important criteria in selecting a project manager. The proposed fuzzy system is based on IF-THEN rules; a genetic algorithm improves the overall accuracy as well as the functions used by the fuzzy system to make initial estimates of the cluster centers for fuzzy c-means clustering. Moreover, a back-propagation neutral network method was used to train the system. The optimal measures of the inference parameters were identified by calculating the system’s output error and propagating this error within the system. After specifying the system parameters, the membership function parameters—which by means of clustering and projection were approximated—were tuned with the genetic algorithm. Results from this system in selecting project managers show its high capability in making high-quality personnel predictions

Long range exhaustion-a mathematical model for the axisymmetric air flow of a local exhaust ventilation hood assisted by a turbulent radial jet

Abstract-Mathematical modelling techniques are used to predict the axisymmetric air flow pattern developed by a state-of-the-art Banged exhaust hood which is reinforced by a turbulent radial jet flow. The high Reynolds number modelling techniques adopted allow the complexity of determining the hood's air Bow to be reduced and provide a means of identifying and assessing the various parameters that control the air Bow. The mathematical model is formulated in terms of the Stokes steam function, ψ, and the governing equations of fluid motion are solved using finite-difference techniques. The injection flow of the exhaust hood is modelled as a turbulent radial jet and the entrained Bow is assumed to be an inviscid potential flow. Comparisons made between contours of constant air speed and centre-line air speeds deduced from the model and all the available experimental data show good agreement over a wide range of typical operating conditions. | Mathematical modelling techniques are used to predict the axisymmetric air flow pattern developed by a state-of-the-art flanged exhaust hood which is reinforced by a turbulent radial jet flow. The high Reynolds number modelling techniques adopted allow the complexity of determining the hood's air flow to be reduced and provide a means of identifying and assessing the various parameters that control the air flow. The mathematical model is formulated in terms of the Stokes steam function, Ψ, and the governing equations of fluid motion are solved using finite-difference techniques. The injection flow of the exhaust hood is modelled as a turbulent radial jet and the entrained flow is assumed to be an inviscid potential flow. Comparisons made between contours of constant air speed and centre-line air speeds deduced from the model and all the available experimental data show good agreement over a wide range of typical operating conditions.

Random function priors for exchangeable arrays with applications to graphs and relational data

A fundamental problem in the analysis of structured relational data like graphs, networks, databases, and matrices is to extract a summary of the common structure underlying relations between individual entities. Relational data are typically encoded in the form of arrays; invariance to the ordering of rows and columns corresponds to exchangeable arrays. Results in probability theory due to Aldous, Hoover and Kallenberg show that exchangeable arrays can be represented in terms of a random measurable function which constitutes the natural model parameter in a Bayesian model. We obtain a flexible yet simple Bayesian nonparametric model by placing a Gaussian process prior on the parameter function. Efficient inference utilises elliptical slice sampling combined with a random sparse approximation to the Gaussian process. We demonstrate applications of the model to network data and clarify its relation to models in the literature, several of which emerge as special cases.

Dynamical structure function identifiability conditions enabling signal structure reconstruction

Networks of controlled dynamical systems exhibit a variety of interconnection patterns that could be interpreted as the structure of the system. One such interpretation of system structure is a system's signal structure, characterized as the open-loop causal dependencies among manifest variables and represented by its dynamical structure function. Although this notion of structure is among the weakest available, previous work has shown that if no a priori structural information is known about the system, not even the Boolean structure of the dynamical structure function is identifiable. Consequently, one method previously suggested for obtaining the necessary a priori structural information is to leverage knowledge about target specificity of the controlled inputs. This work extends these results to demonstrate precisely the a priori structural information that is both necessary and sufficient to reconstruct the network from input-output data. This extension is important because it significantly broadens the applicability of the identifiability conditions, enabling the design of network reconstruction experiments that were previously impossible due to practical constraints on the types of actuation mechanisms available to the engineer or scientist. The work is motivated by the proteomics problem of reconstructing the Per-Arnt-Sim Kinase pathway used in the metabolism of sugars. © 2012 IEEE.

Obtaining bifurcation diagrams with a thermoacoustic network model

Linear techniques can predict whether the non-oscillating (steady) state of a thermoacoustic system is stable or unstable. With a sufficiently large impulse, however, a thermoacoustic system can reach a stable oscillating state even when the steady state is also stable. A nonlinear analysis is required to predict the existence of this oscillating state. Continuation methods are often used for this but they are computationally expensive. In this paper, an acoustic network code called LOTAN is used to obtain the steady and the oscillating solutions for a horizontal Rijke tube. The heat release is modelled as a nonlinear function of the mass flow rate. Several test cases from the literature are analysed in order to investigate the effect of various nonlinear terms in the flame model. The results agree well with the literature, showing that LOTAN can be used to map the steady and oscillating solutions as a function of the control parameters. Furthermore, the nature of the bifurcation between steady and oscillating states can be predicted directly from the nonlinear terms inside the flame model. Copyright © 2012 by ASME.