Retention time prediction and protein identification

Proteins are commonly identified through enzymatic digestion and generation of short sequence tags or fingerprints of peptide masses by mass spectrometry. Separation methods, such as liquid chromatography and electrophoresis, are often used to fractionate complex protein or peptide mixtures and these separations also provide information on the different species, such as molecular weight and isoelectric point from electrophoresis and hydrophobicity in reversed-phase chromatography. These are also properties that can be predicted from amino acid sequences derived from genomic sequences and used in protein identification. This chapter reviews recently introduced methods based on retention time prediction to extract information from chromatographic separations and the applications to protein identification in organisms with small and large genomes. Novel data on retention time prediction of posttranslationally modified peptides is also presented.

Predictions of the arrival time of coronal mass ejections at 1AU: an analysis of the causes of errors

Three existing models of Interplanetary Coronal Mass Ejection (ICME) transit between the Sun and the Earth are compared to coronagraph and in situ observations: all three models are found to perform with a similar level of accuracy (i.e. an average error between observed and predicted 1AU transit times of approximately 11 h). To improve long-term space weather prediction, factors influencing CME transit are investigated. Both the removal of the plane of sky projection (as suffered by coronagraph derived speeds of Earth directed CMEs) and the use of observed values of solar wind speed, fail to significantly improve transit time prediction. However, a correlation is found to exist between the late/early arrival of an ICME and the width of the preceding sheath region, suggesting that the error is a geometrical effect that can only be removed by a more accurate determination of a CME trajectory and expansion. The correlation between magnetic field intensity and speed of ejecta at 1AU is also investigated. It is found to be weak in the body of the ICME, but strong in the sheath, if the upstream solar wind conditions are taken into account.

Dual-orthogonal radial basis function networks for nonlinear time series prediction

A new structure of Radial Basis Function (RBF) neural network called the Dual-orthogonal RBF Network (DRBF) is introduced for nonlinear time series prediction. The hidden nodes of a conventional RBF network compare the Euclidean distance between the network input vector and the centres, and the node responses are radially symmetrical. But in time series prediction where the system input vectors are lagged system outputs, which are usually highly correlated, the Euclidean distance measure may not be appropriate. The DRBF network modifies the distance metric by introducing a classification function which is based on the estimation data set. Training the DRBF networks consists of two stages. Learning the classification related basis functions and the important input nodes, followed by selecting the regressors and learning the weights of the hidden nodes. In both cases, a forward Orthogonal Least Squares (OLS) selection procedure is applied, initially to select the important input nodes and then to select the important centres. Simulation results of single-step and multi-step ahead predictions over a test data set are included to demonstrate the effectiveness of the new approach.

Bootstrap prediction intervals for autoregressive time series

The calculation of interval forecasts for highly persistent autoregressive (AR) time series based on the bootstrap is considered. Three methods are considered for countering the small-sample bias of least-squares estimation for processes which have roots close to the unit circle: a bootstrap bias-corrected OLS estimator; the use of the Roy–Fuller estimator in place of OLS; and the use of the Andrews–Chen estimator in place of OLS. All three methods of bias correction yield superior results to the bootstrap in the absence of bias correction. Of the three correction methods, the bootstrap prediction intervals based on the Roy–Fuller estimator are generally superior to the other two. The small-sample performance of bootstrap prediction intervals based on the Roy–Fuller estimator are investigated when the order of the AR model is unknown, and has to be determined using an information criterion.

Advancing polar prediction capabilities on daily to seasonal time scales

It is argued that existing polar prediction systems do not yet meet users’ needs; and possible ways forward in advancing prediction capacity in polar regions and beyond are outlined. The polar regions have been attracting more and more attention in recent years, fuelled by the perceptible impacts of anthropogenic climate change. Polar climate change provides new opportunities, such as shorter shipping routes between Europe and East Asia, but also new risks such as the potential for industrial accidents or emergencies in ice-covered seas. Here, it is argued that environmental prediction systems for the polar regions are less developed than elsewhere. There are many reasons for this situation, including the polar regions being (historically) lower priority, with less in situ observations, and with numerous local physical processes that are less well-represented by models. By contrasting the relative importance of different physical processes in polar and lower latitudes, the need for a dedicated polar prediction effort is illustrated. Research priorities are identified that will help to advance environmental polar prediction capabilities. Examples include an improvement of the polar observing system; the use of coupled atmosphere-sea ice-ocean models, even for short-term prediction; and insight into polar-lower latitude linkages and their role for forecasting. Given the enormity of some of the challenges ahead, in a harsh and remote environment such as the polar regions, it is argued that rapid progress will only be possible with a coordinated international effort. More specifically, it is proposed to hold a Year of Polar Prediction (YOPP) from mid-2017 to mid-2019 in which the international research and operational forecasting community will work together with stakeholders in a period of intensive observing, modelling, prediction, verification, user-engagement and educational activities.

The predictability of extratropical storm tracks and the sensitivity of their prediction to the observing system

A new method for assessing forecast skill and predictability that involves the identification and tracking of extratropical cyclones has been developed and implemented to obtain detailed information about the prediction of cyclones that cannot be obtained from more conventional analysis methodologies. The cyclones were identified and tracked along the forecast trajectories, and statistics were generated to determine the rate at which the position and intensity of the forecasted storms diverge from the analyzed tracks as a function of forecast lead time. The results show a higher level of skill in predicting the position of extratropical cyclones than the intensity. They also show that there is potential to improve the skill in predicting the position by 1 - 1.5 days and the intensity by 2 - 3 days, via improvements to the forecast model. Further analysis shows that forecasted storms move at a slower speed than analyzed storms on average and that there is a larger error in the predicted amplitudes of intense storms than the weaker storms. The results also show that some storms can be predicted up to 3 days before they are identified as an 850-hPa vorticity center in the analyses. In general, the results show a higher level of skill in the Northern Hemisphere (NH) than the Southern Hemisphere (SH); however, the rapid growth of NH winter storms is not very well predicted. The impact that observations of different types have on the prediction of the extratropical cyclones has also been explored, using forecasts integrated from analyses that were constructed from reduced observing systems. A terrestrial, satellite, and surface-based system were investigated and the results showed that the predictive skill of the terrestrial system was superior to the satellite system in the NH. Further analysis showed that the satellite system was not very good at predicting the growth of the storms. In the SH the terrestrial system has significantly less skill than the satellite system, highlighting the dominance of satellite observations in this hemisphere. The surface system has very poor predictive skill in both hemispheres.

Storm tracking and ensemble prediction

The prediction of extratropical cyclones by the European Centre for Medium Range Weather Forecasts (ECMWF) and the National Centers for Environmental Prediction (NCEP) Ensemble Prediction Systems (EPS) is investigated using a storm-tracking forecast verifica-tion methodology. The cyclones are identified and tracked along the forecast trajectories so that statistics can be generated to determine the rate at which the position and intensity of the forecasted cyclones diverge from the corresponding analysed cyclones with forecast time. Overall the ECMWF EPS has a slightly higher level of performance than the NCEP EPS. However, in the southern hemisphere the NCEP EPS has a slightly higher level of skill for the intensity of the storms. The results from both EPS indicate a higher level of predictive skill for the position of extratropical cyclones than their intensity and show that there is a larger spread in intensity than position. The results also illustrate several benefits an EPS can offer over a deterministic forecast.

Stratospheric circulation in seasonal forecasting models: implications for seasonal prediction

Accurate seasonal forecasts rely on the presence of low frequency, predictable signals in the climate system which have a sufficiently well understood and significant impact on the atmospheric circulation. In the Northern European region, signals associated with seasonal scale variability such as ENSO, North Atlantic SST anomalies and the North Atlantic Oscillation have not yet proven sufficient to enable satisfactorily skilful dynamical seasonal forecasts. The winter-time circulations of the stratosphere and troposphere are highly coupled. It is therefore possible that additional seasonal forecasting skill may be gained by including a realistic stratosphere in models. In this study we assess the ability of five seasonal forecasting models to simulate the Northern Hemisphere extra-tropical winter-time stratospheric circulation. Our results show that all of the models have a polar night jet which is too weak and displaced southward compared to re-analysis data. It is shown that the models underestimate the number, magnitude and duration of periods of anomalous stratospheric circulation. Despite the poor representation of the general circulation of the stratosphere, the results indicate that there may be a detectable tropospheric response following anomalous circulation events in the stratosphere. However, the models fail to exhibit any predictability in their forecasts. These results highlight some of the deficiencies of current seasonal forecasting models with a poorly resolved stratosphere. The combination of these results with other recent studies which show a tropospheric response to stratospheric variability, demonstrates a real prospect for improving the skill of seasonal forecasts.

Storm prediction research and its application to the oil/gas industry

The accurate prediction of storms is vital to the oil and gas sector for the management of their operations. An overview of research exploring the prediction of storms by ensemble prediction systems is presented and its application to the oil and gas sector is discussed. The analysis method used requires larger amounts of data storage and computer processing time than other more conventional analysis methods. To overcome these difficulties eScience techniques have been utilised. These techniques potentially have applications to the oil and gas sector to help incorporate environmental data into their information systems

Decadal Prediction. Can It Be Skillful?

A new field of study, “decadal prediction,” is emerging in climate science. Decadal prediction lies between seasonal/interannual forecasting and longer-term climate change projections, and focuses on time-evolving regional climate conditions over the next 10–30 yr. Numerous assessments of climate information user needs have identified this time scale as being important to infrastructure planners, water resource managers, and many others. It is central to the information portfolio required to adapt effectively to and through climatic changes. At least three factors influence time-evolving regional climate at the decadal time scale: 1) climate change commitment (further warming as the coupled climate system comes into adjustment with increases of greenhouse gases that have already occurred), 2) external forcing, particularly from future increases of greenhouse gases and recovery of the ozone hole, and 3) internally generated variability. Some decadal prediction skill has been demonstrated to arise from the first two of these factors, and there is evidence that initialized coupled climate models can capture mechanisms of internally generated decadal climate variations, thus increasing predictive skill globally and particularly regionally. Several methods have been proposed for initializing global coupled climate models for decadal predictions, all of which involve global time-evolving three-dimensional ocean data, including temperature and salinity. An experimental framework to address decadal predictability/prediction is described in this paper and has been incorporated into the coordinated Coupled Model Intercomparison Model, phase 5 (CMIP5) experiments, some of which will be assessed for the IPCC Fifth Assessment Report (AR5). These experiments will likely guide work in this emerging field over the next 5 yr.

Exploitation of Geostationary Earth Radiation Budget data using simulations from a numerical weather prediction model: Methodology and data validation

We describe a new methodology for comparing satellite radiation budget data with a numerical weather prediction (NWP) model. This is applied to data from the Geostationary Earth Radiation Budget (GERB) instrument on Meteosat-8. The methodology brings together, in near-real time, GERB broadband shortwave and longwave fluxes with simulations based on analyses produced by the Met Office global NWP model. Results for the period May 2003 to February 2005 illustrate the progressive improvements in the data products as various initial problems were resolved. In most areas the comparisons reveal systematic errors in the model's representation of surface properties and clouds, which are discussed elsewhere. However, for clear-sky regions over the oceans the model simulations are believed to be sufficiently accurate to allow the quality of the GERB fluxes themselves to be assessed and any changes in time of the performance of the instrument to be identified. Using model and radiosonde profiles of temperature and humidity as input to a single-column version of the model's radiation code, we conduct sensitivity experiments which provide estimates of the expected model errors over the ocean of about ±5–10 W m−2 in clear-sky outgoing longwave radiation (OLR) and ±0.01 in clear-sky albedo. For the more recent data the differences between the observed and modeled OLR and albedo are well within these error estimates. The close agreement between the observed and modeled values, particularly for the most recent period, illustrates the value of the methodology. It also contributes to the validation of the GERB products and increases confidence in the quality of the data, prior to their release.

How well does the ECMWF Ensemble Prediction System predict blocking?

Forecasting atmospheric blocking is one of the main problems facing medium-range weather forecasters in the extratropics. The European Centre for Medium-Range Weather Forecasts (ECMWF) Ensemble Prediction System (EPS) provides an excellent basis for medium-range forecasting as it provides a number of different possible realizations of the meteorological future. This ensemble of forecasts attempts to account for uncertainties in both the initial conditions and the model formulation. Since 18 July 2000, routine output from the EPS has included the field of potential temperature on the potential vorticity (PV) D 2 PV units (PVU) surface, the dynamical tropopause. This has enabled the objective identification of blocking using an index based on the reversal of the meridional potential-temperature gradient. A year of EPS probability forecasts of Euro-Atlantic and Pacific blocking have been produced and are assessed in this paper, concentrating on the Euro-Atlantic sector. Standard verification techniques such as Brier scores, Relative Operating Characteristic (ROC) curves and reliability diagrams are used. It is shown that Euro-Atlantic sector-blocking forecasts are skilful relative to climatology out to 10 days, and are more skilful than the deterministic control forecast at all lead times. The EPS is also more skilful than a probabilistic version of this deterministic forecast, though the difference is smaller. In addition, it is shown that the onset of a sector-blocking episode is less well predicted than its decay. As the lead time increases, the probability forecasts tend towards a model climatology with slightly less blocking than is seen in the real atmosphere. This small under-forecasting bias in the blocking forecasts is possibly related to a westerly bias in the ECMWF model. Copyright © 2003 Royal Meteorological Society

Progress on “Changing coastlines: data assimilation for morphodynamic prediction and predictability”

The task of assessing the likelihood and extent of coastal flooding is hampered by the lack of detailed information on near-shore bathymetry. This is required as an input for coastal inundation models, and in some cases the variability in the bathymetry can impact the prediction of those areas likely to be affected by flooding in a storm. The constant monitoring and data collection that would be required to characterise the near-shore bathymetry over large coastal areas is impractical, leaving the option of running morphodynamic models to predict the likely bathymetry at any given time. However, if the models are inaccurate the errors may be significant if incorrect bathymetry is used to predict possible flood risks. This project is assessing the use of data assimilation techniques to improve the predictions from a simple model, by rigorously incorporating observations of the bathymetry into the model, to bring the model closer to the actual situation. Currently we are concentrating on Morecambe Bay as a primary study site, as it has a highly dynamic inter-tidal zone, with changes in the course of channels in this zone impacting the likely locations of flooding from storms. We are working with SAR images, LiDAR, and swath bathymetry to give us the observations over a 2.5 year period running from May 2003 – November 2005. We have a LiDAR image of the entire inter-tidal zone for November 2005 to use as validation data. We have implemented a 3D-Var data assimilation scheme, to investigate the improvements in performance of the data assimilation compared to the previous scheme which was based on the optimal interpolation method. We are currently evaluating these different data assimilation techniques, using 22 SAR data observations. We will also include the LiDAR data and swath bathymetry to improve the observational coverage, and investigate the impact of different types of observation on the predictive ability of the model. We are also assessing the ability of the data assimilation scheme to recover the correct bathymetry after storm events, which can dramatically change the bathymetry in a short period of time.

TIGGE: Comparison of the prediction of northern hemisphere extratropical cyclones by different ensemble prediction systems

The Observing System Research and Predictability Experiment (THORPEX) Interactive Grand Global Ensemble (TIGGE) is a World Weather Research Programme project. One of its main objectives is to enhance collaboration on the development of ensemble prediction between operational centers and universities by increasing the availability of ensemble prediction system (EPS) data for research. This study analyzes the prediction of Northern Hemisphere extratropical cyclones by nine different EPSs archived as part of the TIGGE project for the 6-month time period of 1 February 2008–31 July 2008, which included a sample of 774 cyclones. An objective feature tracking method has been used to identify and track the cyclones along the forecast trajectories. Forecast verification statistics have then been produced [using the European Centre for Medium-Range Weather Forecasts (ECMWF) operational analysis as the truth] for cyclone position, intensity, and propagation speed, showing large differences between the different EPSs. The results show that the ECMWF ensemble mean and control have the highest level of skill for all cyclone properties. The Japanese Meteorological Administration (JMA), the National Centers for Environmental Prediction (NCEP), the Met Office (UKMO), and the Canadian Meteorological Centre (CMC) have 1 day less skill for the position of cyclones throughout the forecast range. The relative performance of the different EPSs remains the same for cyclone intensity except for NCEP, which has larger errors than for position. NCEP, the Centro de Previsão de Tempo e Estudos Climáticos (CPTEC), and the Australian Bureau of Meteorology (BoM) all have faster intensity error growth in the earlier part of the forecast. They are also very underdispersive and significantly underpredict intensities, perhaps due to the comparatively low spatial resolutions of these EPSs not being able to accurately model the tilted structure essential to cyclone growth and decay. There is very little difference between the levels of skill of the ensemble mean and control for cyclone position, but the ensemble mean provides an advantage over the control for all EPSs except CPTEC in cyclone intensity and there is an advantage for propagation speed for all EPSs. ECMWF and JMA have an excellent spread–skill relationship for cyclone position. The EPSs are all much more underdispersive for cyclone intensity and propagation speed than for position, with ECMWF and CMC performing best for intensity and CMC performing best for propagation speed. ECMWF is the only EPS to consistently overpredict cyclone intensity, although the bias is small. BoM, NCEP, UKMO, and CPTEC significantly underpredict intensity and, interestingly, all the EPSs underpredict the propagation speed, that is, the cyclones move too slowly on average in all EPSs.

Prediction of Parkinson's disease tremor onset using artificial neural networks

In this paper we present the initial results using an artificial neural network to predict the onset of Parkinson's Disease tremors in a human subject. Data for the network was obtained from implanted deep brain electrodes. A tuned artificial neural network was shown to be able to identify the pattern of the onset tremor from these real time recordings.