Shallow Water Bathymetry Mapping from UAV Imagery based on Machine Learning

The determination of accurate bathymetric information is a key element for near offshore activities, hydrological studies such as coastal engineering applications, sedimentary processes, hydrographic surveying as well as archaeological mapping and biological research. UAV imagery processed with Structure from Motion (SfM) and Multi View Stereo (MVS) techniques can provide a low-cost alternative to established shallow seabed mapping techniques offering as well the important visual information. Nevertheless, water refraction poses significant challenges on depth determination. Till now, this problem has been addressed through customized image-based refraction correction algorithms or by modifying the collinearity equation. In this paper, in order to overcome the water refraction errors, we employ machine learning tools that are able to learn the systematic underestimation of the estimated depths. In the proposed approach, based on known depth observations from bathymetric LiDAR surveys, an SVR model was developed able to estimate more accurately the real depths of point clouds derived from SfM-MVS procedures. Experimental results over two test sites along with the performed quantitative validation indicated the high potential of the developed approach.Comment: 8 pages, 9 figure

SHALLOW WATER BATHYMETRY MAPPING FROM UAV IMAGERY BASED ON MACHINE LEARNING

The determination of accurate bathymetric information is a key element for near offshore activities, hydrological studies such as coastal engineering applications, sedimentary processes, hydrographic surveying as well as archaeological mapping and biological research. UAV imagery processed with Structure from Motion (SfM) and Multi View Stereo (MVS) techniques can provide a low-cost alternative to established shallow seabed mapping techniques offering as well the important visual information. Nevertheless, water refraction poses significant challenges on depth determination. Till now, this problem has been addressed through customized image-based refraction correction algorithms or by modifying the collinearity equation. In this paper, in order to overcome the water refraction errors, we employ machine learning tools that are able to learn the systematic underestimation of the estimated depths. In the proposed approach, based on known depth observations from bathymetric LiDAR surveys, an SVR model was developed able to estimate more accurately the real depths of point clouds derived from SfM-MVS procedures. Experimental results over two test sites along with the performed quantitative validation indicated the high potential of the developed approach

A Self-Organizing Algorithm for Modeling Protein Loops

Protein loops, the flexible short segments connecting two stable secondary structural units in proteins, play a critical role in protein structure and function. Constructing chemically sensible conformations of protein loops that seamlessly bridge the gap between the anchor points without introducing any steric collisions remains an open challenge. A variety of algorithms have been developed to tackle the loop closure problem, ranging from inverse kinematics to knowledge-based approaches that utilize pre-existing fragments extracted from known protein structures. However, many of these approaches focus on the generation of conformations that mainly satisfy the fixed end point condition, leaving the steric constraints to be resolved in subsequent post-processing steps. In the present work, we describe a simple solution that simultaneously satisfies not only the end point and steric conditions, but also chirality and planarity constraints. Starting from random initial atomic coordinates, each individual conformation is generated independently by using a simple alternating scheme of pairwise distance adjustments of randomly chosen atoms, followed by fast geometric matching of the conformationally rigid components of the constituent amino acids. The method is conceptually simple, numerically stable and computationally efficient. Very importantly, additional constraints, such as those derived from NMR experiments, hydrogen bonds or salt bridges, can be incorporated into the algorithm in a straightforward and inexpensive way, making the method ideal for solving more complex multi-loop problems. The remarkable performance and robustness of the algorithm are demonstrated on a set of protein loops of length 4, 8, and 12 that have been used in previous studies

Microwave assisted low temperature synthesis of MnZn ferrite nanoparticles

MnZnFe2O4ferrite nanoparticles were prepared by co-precipitation method using a microwave heating system at temperature of 100 °C. X-ray diffraction reveals the samples as prepared are pure ferrite nanocrystalline phase, transmission electron microscopy image analysis shows particles are in agglomeration state with an average size of about 10 nm, furthermore, crystal size of samples are increased with longer microwave heating

DPRESS: Localizing estimates of predictive uncertainty

<p>Abstract</p> <p>Background</p> <p>The need to have a quantitative estimate of the uncertainty of prediction for QSAR models is steadily increasing, in part because such predictions are being widely distributed as tabulated values disconnected from the models used to generate them. Classical statistical theory assumes that the error in the population being modeled is independent and identically distributed (IID), but this is often not actually the case. Such inhomogeneous error (heteroskedasticity) can be addressed by providing an individualized estimate of predictive uncertainty for each particular new object <it>u</it>: the standard error of prediction <it>s</it>_ucan be estimated as the non-cross-validated error <it>s</it>_t*for the closest object <it>t</it>* in the training set adjusted for its separation <it>d </it>from <it>u </it>in the descriptor space relative to the size of the training set.</p> <p><display-formula><graphic file="1758-2946-1-11-i1.gif"/></display-formula></p> <p>The predictive uncertainty factor <it>γ</it>_t*is obtained by distributing the internal predictive error sum of squares across objects in the training set based on the distances between them, hence the acronym: <it>D</it>istributed <it>PR</it>edictive <it>E</it>rror <it>S</it>um of <it>S</it>quares (DPRESS). Note that <it>s</it>_t*and <it>γ</it>_t*are characteristic of each training set compound contributing to the model of interest.</p> <p>Results</p> <p>The method was applied to partial least-squares models built using 2D (molecular hologram) or 3D (molecular field) descriptors applied to mid-sized training sets (<it>N </it>= 75) drawn from a large (<it>N </it>= 304), well-characterized pool of cyclooxygenase inhibitors. The observed variation in predictive error for the external 229 compound test sets was compared with the uncertainty estimates from DPRESS. Good qualitative and quantitative agreement was seen between the distributions of predictive error observed and those predicted using DPRESS. Inclusion of the distance-dependent term was essential to getting good agreement between the estimated uncertainties and the observed distributions of predictive error. The uncertainty estimates derived by DPRESS were conservative even when the training set was biased, but not excessively so.</p> <p>Conclusion</p> <p>DPRESS is a straightforward and powerful way to reliably estimate individual predictive uncertainties for compounds outside the training set based on their distance to the training set and the internal predictive uncertainty associated with its nearest neighbor in that set. It represents a sample-based, <it>a posteriori </it>approach to defining applicability domains in terms of localized uncertainty.</p

Structure-based classification and ontology in chemistry

<p>Abstract</p> <p>Background</p> <p>Recent years have seen an explosion in the availability of data in the chemistry domain. With this information explosion, however, retrieving <it>relevant </it>results from the available information, and <it>organising </it>those results, become even harder problems. Computational processing is essential to filter and organise the available resources so as to better facilitate the work of scientists. Ontologies encode expert domain knowledge in a hierarchically organised machine-processable format. One such ontology for the chemical domain is ChEBI. ChEBI provides a classification of chemicals based on their structural features and a role or activity-based classification. An example of a structure-based class is 'pentacyclic compound' (compounds containing five-ring structures), while an example of a role-based class is 'analgesic', since many different chemicals can act as analgesics without sharing structural features. Structure-based classification in chemistry exploits elegant regularities and symmetries in the underlying chemical domain. As yet, there has been neither a systematic analysis of the types of structural classification in use in chemistry nor a comparison to the capabilities of available technologies.</p> <p>Results</p> <p>We analyze the different categories of structural classes in chemistry, presenting a list of patterns for features found in class definitions. We compare these patterns of class definition to tools which allow for automation of hierarchy construction within cheminformatics and within logic-based ontology technology, going into detail in the latter case with respect to the expressive capabilities of the Web Ontology Language and recent extensions for modelling structured objects. Finally we discuss the relationships and interactions between cheminformatics approaches and logic-based approaches.</p> <p>Conclusion</p> <p>Systems that perform intelligent reasoning tasks on chemistry data require a diverse set of underlying computational utilities including algorithmic, statistical and logic-based tools. For the task of automatic structure-based classification of chemical entities, essential to managing the vast swathes of chemical data being brought online, systems which are capable of hybrid reasoning combining several different approaches are crucial. We provide a thorough review of the available tools and methodologies, and identify areas of open research.</p

Structural and mechanical properties of TiB 2 and TiC prepared by self-propagating high-temperature synthesis/dynamic compaction

Titanium-diboride and titanium-carbide compacts with diameters of 100 mm and thicknesses of 25 mm were fabricated by self-propagating high-temperature synthesis/dynamic compaction (SHS/DC) of the elemental powders. Under the best conditions, the densities were greater than 99% and 96.8% of the theoretical densities for TiB 2 and TiC, respectively. The microhardness, compressive strength, and elastic modulus of the TiB 2 prepared by the SHS/DC method were comparable to reported values for hot-pressed TiB 2 . While the microhardness and elastic modulus of the TiC compacts were comparable to those for hotpressed TiC, the compressive strength was lower due to extensive cracks in the compacts. The TiB 2 prepared using a low-purity boron powder (1–5% carbon impurity) compacted to higher densities and had less cracking than that prepared using a high-purity boron powder (0.2% carbon). This result could have an impact on the cost of producing TiB 2 /TiC structural components by the SHS/DC process.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/44732/1/10853_2005_Article_BF01162518.pd