Volumetric data analysis using Morse-Smale complexes

The 3D Morse-Smale complex is a fundamental topological construct that partitions the domain of a real-valued function into regions having uniform gradient flow behavior. In this paper, we consider the construction and selective presentation of cells of the Morse-Smale complex and their use in the analysis and visualization of scientific datasets. We take advantage of the fact that cells of different dimension often characterize different types of features present in the data. For example, critical points pinpoint changes in topology by showing where components of the level sets are created, destroyed or modified in genus. Edges of the Morse-Smale complex extract filament-like features that are not explicitly modeled in the original data. Interactive selection and rendering of portions of the Morse-Smale complex introduces fundamental data management challenges due to the unstructured nature of the complex even for structured inputs. We describe a data structure that stores the Morse-Smale complex and allows efficient selective traversal of regions of interest. Finally, we illustrate the practical use of this approach by applying it to cryo-electron microscopy data of protein molecules

Abstract

Augmented Reeb graphs for content-based retrieval of 3D mesh models Recherche par le contenu de maillages 3D par graphes de Reeb augmenté

A Geometric Approach for Deciphering Protein Structure from Cryo-EM Volumes

Electron Cryo-Microscopy or cryo-EM is an area that has received much attention in the recent past. Compared to the traditional methods of X-Ray Crystallography and NMR Spectroscopy, cryo-EM can be used to image much larger complexes, in many different conformations, and under a wide range of biochemical conditions. This is because it does not require the complex to be crystallisable. However, cryo-EM reconstructions are limited to intermediate resolutions, with the state-of-the-art being 3.6A, where secondary structure elements can be visually identified but not individual amino acid residues. This lack of atomic level resolution creates new computational challenges for protein structure identification. In this dissertation, we present a suite of geometric algorithms to address several aspects of protein modeling using cryo-EM density maps. Specifically, we develop novel methods to capture the shape of density volumes as geometric skeletons. We then use these skeletons to find secondary structure elements: SSEs) of a given protein, to identify the correspondence between these SSEs and those predicted from the primary sequence, and to register high-resolution protein structures onto the density volume. In addition, we designed and developed Gorgon, an interactive molecular modeling system, that integrates the above methods with other interactive routines to generate reliable and accurate protein backbone models

Efficient Retrieval and Categorization for 3D Models based on Bag-of-Words Approach

Ph.DDOCTOR OF PHILOSOPH

Indexing and Retrieval of 3D Articulated Geometry Models

In this PhD research study, we focus on building a content-based search engine for 3D articulated geometry models. 3D models are essential components in nowadays graphic applications, and are widely used in the game, animation and movies production industry. With the increasing number of these models, a search engine not only provides an entrance to explore such a huge dataset, it also facilitates sharing and reusing among different users. In general, it reduces production costs and time to develop these 3D models. Though a lot of retrieval systems have been proposed in recent years, search engines for 3D articulated geometry models are still in their infancies. Among all the works that we have surveyed, reliability and efficiency are the two main issues that hinder the popularity of such systems. In this research, we have focused our attention mainly to address these two issues. We have discovered that most existing works design features and matching algorithms in order to reflect the intrinsic properties of these 3D models. For instance, to handle 3D articulated geometry models, it is common to extract skeletons and use graph matching algorithms to compute the similarity. However, since this kind of feature representation is complex, it leads to high complexity of the matching algorithms. As an example, sub-graph isomorphism can be NP-hard for model graph matching. Our solution is based on the understanding that skeletal matching seeks correspondences between the two comparing models. If we can define descriptive features, the correspondence problem can be solved by bag-based matching where fast algorithms are available. In the first part of the research, we propose a feature extraction algorithm to extract such descriptive features. We then convert the skeletal matching problems into bag-based matching. We further define metric similarity measure so as to support fast search. We demonstrate the advantages of this idea in our experiments. The improvement on precision is 12\% better at high recall. The indexing search of 3D model is 24 times faster than the state of the art if only the first relevant result is returned. However, improving the quality of descriptive features pays the price of high dimensionality. Curse of dimensionality is a notorious problem on large multimedia databases. The computation time scales exponentially as the dimension increases, and indexing techniques may not be useful in such situation. In the second part of the research, we focus ourselves on developing an embedding retrieval framework to solve the high dimensionality problem. We first argue that our proposed matching method projects 3D models on manifolds. We then use manifold learning technique to reduce dimensionality and maximize intra-class distances. We further propose a numerical method to sub-sample and fast search databases. To preserve retrieval accuracy using fewer landmark objects, we propose an alignment method which is also beneficial to existing works for fast search. The advantages of the retrieval framework are demonstrated in our experiments that it alleviates the problem of curse of dimensionality. It also improves the efficiency (3.4 times faster) and accuracy (30\% more accurate) of our matching algorithm proposed above. In the third part of the research, we also study a closely related area, 3D motions. 3D motions are captured by sticking sensor on human beings. These captured data are real human motions that are used to animate 3D articulated geometry models. Creating realistic 3D motions is an expensive and tedious task. Although 3D motions are very different from 3D articulated geometry models, we observe that existing works also suffer from the problem of temporal structure matching. This also leads to low efficiency in the matching algorithms. We apply the same idea of bag-based matching into the work of 3D motions. From our experiments, the proposed method has a 13\% improvement on precision at high recall and is 12 times faster than existing works. As a summary, we have developed algorithms for 3D articulated geometry models and 3D motions, covering feature extraction, feature matching, indexing and fast search methods. Through various experiments, our idea of converting restricted matching to bag-based matching improves matching efficiency and reliability. These have been shown in both 3D articulated geometry models and 3D motions. We have also connected 3D matching to the area of manifold learning. The embedding retrieval framework not only improves efficiency and accuracy, but has also opened a new area of research

3-D Content-Based Retrieval and Classification with Applications to Museum Data

There is an increasing number of multimedia collections arising in areas once only the domain of text and 2-D images. Richer types of multimedia such as audio, video and 3-D objects are becoming more and more common place. However, current retrieval techniques in these areas are not as sophisticated as textual and 2-D image techniques and in many cases rely upon textual searching through associated keywords. This thesis is concerned with the retrieval of 3-D objects and with the application of these techniques to the problem of 3-D object annotation. The majority of the work in this thesis has been driven by the European project, SCULPTEUR. This thesis provides an in-depth analysis of a range of 3-D shape descriptors for their suitability for general purpose and specific retrieval tasks using a publicly available data set, the Princeton Shape Benchmark, and using real world museum objects evaluated using a variety of performance metrics. This thesis also investigates the use of 3-D shape descriptors as inputs to popular classification algorithms and a novel classifier agent for use with the SCULPTEUR system is designed and developed and its performance analysed. Several techniques are investigated to improve individual classifier performance. One set of techniques combines several classifiers whereas the other set of techniques aim to find the optimal training parameters for a classifier. The final chapter of this thesis explores a possible application of these techniques to the problem of 3-D object annotation