Rapid protein domain assignment from amino acid sequence using predicted secondary structure

The elucidation of the domain content of a given protein sequence in the absence of determined structure or significant sequence homology to known domains is an important problem in structural biology. Here we address how successfully the delineation of continuous domains can be accomplished in the absence of sequence homology using simple baseline methods, an existing prediction algorithm (Domain Guess by Size), and a newly developed method (DomSSEA). The study was undertaken with a view to measuring the usefulness of these prediction methods in terms of their application to fully automatic domain assignment. Thus, the sensitivity of each domain assignment method was measured by calculating the number of correctly assigned top scoring predictions. We have implemented a new continuous domain identification method using the alignment of predicted secondary structures of target sequences against observed secondary structures of chains with known domain boundaries as assigned by Class Architecture Topology Homology (CATH). Taking top predictions only, the success rate of the method in correctly assigning domain number to the representative chain set is 73.3%. The top prediction for domain number and location of domain boundaries was correct for 24% of the multidomain set (±20 residues). These results have been put into context in relation to the results obtained from the other prediction methods assessed

Modal coupling in linear control systems using robust eigenstructure assignment

Eigenvalue assignment methods are used widely in the design of control and state-estimation systems. The corresponding eigenvectors can be selected to ensure robustness. For specific applications, eigenstructure assignment can also be applied to achieve more general performance criteria. In this paper a new output feedback design approach using robust eigenstructure assignment to achieve prescribed mode input and output coupling is described. A minimisation technique is developed to improve both the mode coupling and the robustness of the system, whilst allowing the precision of the eigenvalue placement to be relaxed. An application to the design of an automatic flight control system is demonstrated.

Comments, with reply, on "Computational algorithms for pole assignment" by N.K. Nichols

Some points of the paper by N.K. Nichols (see ibid., vol.AC-31, p.643-5, 1986), concerning the robust pole assignment of linear multiinput systems, are clarified. It is stressed that the minimization of the condition number of the closed-loop eigenvector matrix does not necessarily lead to robustness of the pole assignment. It is shown why the computational method, which Nichols claims is robust, is in fact numerically unstable with respect to the determination of the gain matrix. In replying, Nichols presents arguments to support the choice of the conditioning of the closed-loop poles as a measure of robustness and to show that the methods of J Kautsky, N. K. Nichols and P. VanDooren (1985) are stable in the sense that they produce accurate solutions to well-conditioned problems.

Eigenstructure assignment in descriptor systems

Coordinate free conditions are given for pole assignment by feedback in linear descriptor (singular) systems which guarantee closed-loop regularity. These conditions are shown to be both necessary and sufficient for assignment of the maximum possible number of finite poles. Transformation to special coordinates are not used and the results provide a robust algorithm for the computation of the required feedback.

On computational algorithms for pole assignment

A number of computationally reliable direct methods for pole assignment by feedback have recently been developed. These direct procedures do not necessarily produce robust solutions to the problem, however, in the sense that the assigned poles are insensitive to perturbalions in the closed-loop system. This difficulty is illustrated here with results from a recent algorithm presented in this TRANSACTIONS and its causes are examined. A measure of robustness is described, and techniques for testing and improving robustness are indicated.

The assignment of ν2 and ν4 of SO3

Three experiments have been performed to resolve an uncertainty in the assignment of ν2 and ν4 for SO3: (i) the gas phase Raman spectrum has been measured; (ii) the infrared active combination band ν3 + ν4 has been measured; (iii) a band contour calculation has been performed taking account of the ℓ-type resonance in ν4 and a strong Coriolis resonance between ν2 and ν4. These experiments establish beyond any doubt that ν2 lies at about 497.5 cm−1 and ν4 lies at about 530.2 cm−1. The contour calculation also shows that the Coriolis resonance gives rise to a positive intensity perturbation.

Automatic internal calibration in liquid chromatography/Fourier transform ion cyclotron resonance mass spectrometry of protein digests

Accurately measured peptide masses can be used for large-scale protein identification from bacterial whole-cell digests as an alternative to tandem mass spectrometry (MS/MS) provided mass measurement errors of a few parts-per-million (ppm) are obtained. Fourier transform ion cyclotron resonance (FTICR) mass spectrometry (MS) routinely achieves such mass accuracy either with internal calibration or by regulating the charge in the analyzer cell. We have developed a novel and automated method for internal calibration of liquid chromatography (LC)/FTICR data from whole-cell digests using peptides in the sample identified by concurrent MS/MS together with ambient polydimethyl-cyclosiloxanes as internal calibrants in the mass spectra. The method reduced mass measurement error from 4.3 +/- 3.7 ppm to 0.3 +/- 2.3 ppm in an E. coli LC/FTICR dataset of 1000 MS and MS/MS spectra and is applicable to all analyses of complex protein digests by FTICRMS. Copyright (c) 2006 John Wiley & Sons, Ltd.

The automatic identification and prioritisation of criminal networks from police crime data

The identification of criminal networks is not a routine exploratory process within the current practice of the law enforcement authorities; rather it is triggered by specific evidence of criminal activity being investigated. A network is identified when a criminal comes to notice and any associates who could also be potentially implicated would need to be identified if only to be eliminated from the enquiries as suspects or witnesses as well as to prevent and/or detect crime. However, an identified network may not be the one causing most harm in a given area.. This paper identifies a methodology to identify all of the criminal networks that are present within a Law Enforcement Area, and, prioritises those that are causing most harm to the community. Each crime is allocated a score based on its crime type and how recently the crime was committed; the network score, which can be used as decision support to help prioritise it for law enforcement purposes, is the sum of the individual crime scores.

Semi-automatic annotation and retrieval of visual content using the topic map technology

There are still major challenges in the area of automatic indexing and retrieval of multimedia content data for very large multimedia content corpora. Current indexing and retrieval applications still use keywords to index multimedia content and those keywords usually do not provide any knowledge about the semantic content of the data. With the increasing amount of multimedia content, it is inefficient to continue with this approach. In this paper, we describe the project DREAM, which addresses such challenges by proposing a new framework for semi-automatic annotation and retrieval of multimedia based on the semantic content. The framework uses the Topic Map Technology, as a tool to model the knowledge automatically extracted from the multimedia content using an Automatic Labelling Engine. We describe how we acquire knowledge from the content and represent this knowledge using the support of NLP to automatically generate Topic Maps. The framework is described in the context of film post-production.

Instance generators and test suites for the multiobjective quadratic assignment problem

We describe, and make publicly available, two problem instance generators for a multiobjective version of the well-known quadratic assignment problem (QAP). The generators allow a number of instance parameters to be set, including those controlling epistasis and inter-objective correlations. Based on these generators, several initial test suites are provided and described. For each test instance we measure some global properties and, for the smallest ones, make some initial observations of the Pareto optimal sets/fronts. Our purpose in providing these tools is to facilitate the ongoing study of problem structure in multiobjective (combinatorial) optimization, and its effects on search landscape and algorithm performance.

Towards the automatic reconstruction of dendritic trees using particle filters

The 3D reconstruction of a Golgi-stained dendritic tree from a serial stack of images captured with a transmitted light bright-field microscope is investigated. Modifications to the bootstrap filter are discussed such that the tree structure may be estimated recursively as a series of connected segments. The tracking performance of the bootstrap particle filter is compared against Differential Evolution, an evolutionary global optimisation method, both in terms of robustness and accuracy. It is found that the particle filtering approach is significantly more robust and accurate for the data considered.

Robustness of mutual information to inter-subject variability for automatic artefact removal from EEG

The externally recorded electroencephalogram (EEG) is contaminated with signals that do not originate from the brain, collectively known as artefacts. Thus, EEG signals must be cleaned prior to any further analysis. In particular, if the EEG is to be used in online applications such as Brain-Computer Interfaces (BCIs) the removal of artefacts must be performed in an automatic manner. This paper investigates the robustness of Mutual Information based features to inter-subject variability for use in an automatic artefact removal system. The system is based on the separation of EEG recordings into independent components using a temporal ICA method, RADICAL, and the utilisation of a Support Vector Machine for classification of the components into EEG and artefact signals. High accuracy and robustness to inter-subject variability is achieved.

Performance of asynchronous channel assignment scheme in non-uniform and dynamic topology WLANs

Dense deployments of wireless local area networks (WLANs) are fast becoming a permanent feature of all developed cities around the world. While this increases capacity and coverage, the problem of increased interference, which is exacerbated by the limited number of channels available, can severely degrade the performance of WLANs if an effective channel assignment scheme is not employed. In an earlier work, an asynchronous, distributed and dynamic channel assignment scheme has been proposed that (1) is simple to implement, (2) does not require any knowledge of the throughput function, and (3) allows asynchronous channel switching by each access point (AP). In this paper, we present extensive performance evaluation of this scheme when it is deployed in the more practical non-uniform and dynamic topology scenarios. Specifically, we investigate its effectiveness (1) when APs are deployed in a nonuniform fashion resulting in some APs suffering from higher levels of interference than others and (2) when APs are effectively switched `on/off' due to the availability/lack of traffic at different times, which creates a dynamically changing network topology. Simulation results based on actual WLAN topologies show that robust performance gains over other channel assignment schemes can still be achieved even in these realistic scenarios.