Using diffusion distances for flexible molecular shape comparison

<p>Abstract</p> <p>Background</p> <p>Many molecules are flexible and undergo significant shape deformation as part of their function, and yet most existing molecular shape comparison (MSC) methods treat them as rigid bodies, which may lead to incorrect shape recognition.</p> <p>Results</p> <p>In this paper, we present a new shape descriptor, named Diffusion Distance Shape Descriptor (DDSD), for comparing 3D shapes of flexible molecules. The diffusion distance in our work is considered as an average length of paths connecting two landmark points on the molecular shape in a sense of inner distances. The diffusion distance is robust to flexible shape deformation, in particular to topological changes, and it reflects well the molecular structure and deformation without explicit decomposition. Our DDSD is stored as a histogram which is a probability distribution of diffusion distances between all sample point pairs on the molecular surface. Finally, the problem of flexible MSC is reduced to comparison of DDSD histograms.</p> <p>Conclusions</p> <p>We illustrate that DDSD is insensitive to shape deformation of flexible molecules and more effective at capturing molecular structures than traditional shape descriptors. The presented algorithm is robust and does not require any prior knowledge of the flexible regions.</p

Physics based supervised and unsupervised learning of graph structure

Graphs are central tools to aid our understanding of biological, physical, and social systems. Graphs also play a key role in representing and understanding the visual world around us, 3D-shapes and 2D-images alike. In this dissertation, I propose the use of physical or natural phenomenon to understand graph structure. I investigate four phenomenon or laws in nature: (1) Brownian motion, (2) Gauss\u27s law, (3) feedback loops, and (3) neural synapses, to discover patterns in graphs

Feature Encoding of Spectral Descriptors for 3D Shape Recognition

Feature descriptors have become a ubiquitous tool in shape analysis. Features can be extracted and subsequently used to design discriminative signatures for solving a variety of 3D shape analysis problems. In particular, shape classification and retrieval are intriguing and challenging problems that lie at the crossroads of computer vision, geometry processing, machine learning and medical imaging. In this thesis, we propose spectral graph wavelet approaches for the classification and retrieval of deformable 3D shapes. First, we review the recent shape descriptors based on the spectral decomposition of the Laplace-Beltrami operator, which provides a rich set of eigenbases that are invariant to intrinsic isometries. We then provide a detailed overview of spectral graph wavelets. In an effort to capture both local and global characteristics of a 3D shape, we propose a three-step feature description framework. Local descriptors are first extracted via the spectral graph wavelet transform having the Mexican hat wavelet as a generating kernel. Then, mid-level features are obtained by embedding local descriptors into the visual vocabulary space using the soft-assignment coding step of the bag-of-features model. A global descriptor is subsequently constructed by aggregating mid-level features weighted by a geodesic exponential kernel, resulting in a matrix representation that describes the frequency of appearance of nearby codewords in the vocabulary. In order to analyze the performance of the proposed algorithms on 3D shape classification, support vector machines and deep belief networks are applied to mid-level features. To assess the performance of the proposed approach for nonrigid 3D shape retrieval, we compare the global descriptor of a query to the global descriptors of the rest of shapes in the dataset using a dissimilarity measure and find the closest shape. Experimental results on three standard 3D shape benchmarks demonstrate the effectiveness of the proposed classification and retrieval approaches in comparison with state-of-the-art methods

3D object retrieval and segmentation: various approaches including 2D poisson histograms and 3D electrical charge distributions.

Nowadays 3D models play an important role in many applications: viz. games, cultural heritage, medical imaging etc. Due to the fast growth in the number of available 3D models, understanding, searching and retrieving such models have become interesting fields within computer vision. In order to search and retrieve 3D models, we present two different approaches: one is based on solving the Poisson Equation over 2D silhouettes of the models. This method uses 60 different silhouettes, which are automatically extracted from different viewangles. Solving the Poisson equation for each silhouette assigns a number to each pixel as its signature. Accumulating these signatures generates a final histogram-based descriptor for each silhouette, which we call a SilPH (Silhouette Poisson Histogram). For the second approach, we propose two new robust shape descriptors based on the distribution of charge density on the surface of a 3D model. The Finite Element Method is used to calculate the charge density on each triangular face of each model as a local feature. Then we utilize the Bag-of-Features and concentric sphere frameworks to perform global matching using these local features. In addition to examining the retrieval accuracy of the descriptors in comparison to the state-of-the-art approaches, the retrieval speeds as well as robustness to noise and deformation on different datasets are investigated. On the other hand, to understand new complex models, we have also utilized distribution of electrical charge for proposing a system to decompose models into meaningful parts. Our robust, efficient and fully-automatic segmentation approach is able to specify the segments attached to the main part of a model as well as locating the boundary parts of the segments. The segmentation ability of the proposed system is examined on the standard datasets and its timing and accuracy are compared with the existing state-of-the-art approaches

A Pattern Approach to Examine the Design Space of Spatiotemporal Visualization

Pattern language has been widely used in the development of visualization systems. This dissertation applies a pattern language approach to explore the design space of spatiotemporal visualization. The study provides a framework for both designers and novices to communicate, develop, evaluate, and share spatiotemporal visualization design on an abstract level. The touchstone of the work is a pattern language consisting of fifteen design patterns and four categories. In order to validate the design patterns, the researcher created two visualization systems with this framework in mind. The first system displayed the daily routine of human beings via a polygon-based visualization. The second system showed the spatiotemporal patterns of co-occurring hashtags with a spiral map, sunburst diagram, and small multiples. The evaluation results demonstrated the effectiveness of the proposed design patterns to guide design thinking and create novel visualization practices

Proceedings of the 7th Sound and Music Computing Conference

Proceedings of the SMC2010 - 7th Sound and Music Computing Conference, July 21st - July 24th 2010

Proceedings of the GIS Research UK 18th Annual Conference GISRUK 2010

This volume holds the papers from the 18th annual GIS Research UK (GISRUK). This year the conference, hosted at University College London (UCL), from Wednesday 14 to Friday 16 April 2010. The conference covered the areas of core geographic information science research as well as applications domains such as crime and health and technological developments in LBS and the geoweb. UCL’s research mission as a global university is based around a series of Grand Challenges that affect us all, and these were accommodated in GISRUK 2010. The overarching theme this year was “Global Challenges”, with specific focus on the following themes: * Crime and Place * Environmental Change * Intelligent Transport * Public Health and Epidemiology * Simulation and Modelling * London as a global city * The geoweb and neo-geography * Open GIS and Volunteered Geographic Information * Human-Computer Interaction and GIS Traditionally, GISRUK has provided a platform for early career researchers as well as those with a significant track record of achievement in the area. As such, the conference provides a welcome blend of innovative thinking and mature reflection. GISRUK is the premier academic GIS conference in the UK and we are keen to maintain its outstanding record of achievement in developing GIS in the UK and beyond