Partial duality of hypermaps

We introduce a collection of new operations on hypermaps, partial duality, which include the classical Euler-Poincar\'e dualities as particular cases. These operations generalize the partial duality for maps, or ribbon graphs, recently discovered in a connection with knot theory. Partial duality is different from previous studied operations of S. Wilson, G. Jones, L. James, and A. Vince. Combinatorially hypermaps may be described in one of three ways: as three involutions on the set of flags ($\tau$-model), or as three permutations on the set of half-edges ($\sigma$-model in orientable case), or as edge 3-colored graphs. We express partial duality in each of these models.Comment: 19 pages, 16 figure

Proceedings of the First International Workshop on Mathematical Foundations of Computational Anatomy (MFCA'06) - Geometrical and Statistical Methods for Modelling Biological Shape Variability

International audienceNon-linear registration and shape analysis are well developed research topic in the medical image analysis community. There is nowadays a growing number of methods that can faithfully deal with the underlying biomechanical behaviour of intra-subject shape deformations. However, it is more difficult to relate the anatomical shape of different subjects. The goal of computational anatomy is to analyse and to statistically model this specific type of geometrical information. In the absence of any justified physical model, a natural attitude is to explore very general mathematical methods, for instance diffeomorphisms. However, working with such infinite dimensional space raises some deep computational and mathematical problems. In particular, one of the key problem is to do statistics. Likewise, modelling the variability of surfaces leads to rely on shape spaces that are much more complex than for curves. To cope with these, different methodological and computational frameworks have been proposed. The goal of the workshop was to foster interactions between researchers investigating the combination of geometry and statistics for modelling biological shape variability from image and surfaces. A special emphasis was put on theoretical developments, applications and results being welcomed as illustrations. Contributions were solicited in the following areas: * Riemannian and group theoretical methods on non-linear transformation spaces * Advanced statistics on deformations and shapes * Metrics for computational anatomy * Geometry and statistics of surfaces 26 submissions of very high quality were recieved and were reviewed by two members of the programm committee. 12 papers were finally selected for oral presentations and 8 for poster presentations. 16 of these papers are published in these proceedings, and 4 papers are published in the proceedings of MICCAI'06 (for copyright reasons, only extended abstracts are provided here)

Spiral Complete Coverage Path Planning Based on Conformal Slit Mapping in Multi-connected Domains

Generating a smooth and shorter spiral complete coverage path in a multi-connected domain is an important research area in robotic cavity machining. Traditional spiral path planning methods in multi-connected domains involve a subregion division procedure; a deformed spiral path is incorporated within each subregion, and these paths within the subregions are interconnected with bridges. In intricate domains with abundant voids and irregular boundaries, the added subregion boundaries increase the path avoidance requirements. This results in excessive bridging and necessitates longer uneven-density spirals to achieve complete subregion coverage. Considering that conformal slit mapping can transform multi-connected regions into regular disks or annuluses without subregion division, this paper presents a novel spiral complete coverage path planning method by conformal slit mapping. Firstly, a slit mapping calculation technique is proposed for segmented cubic spline boundaries with corners. Then, a spiral path spacing control method is developed based on the maximum inscribed circle radius between adjacent conformal slit mapping iso-parameters. Lastly, the spiral path is derived by offsetting iso-parameters. The complexity and applicability of the proposed method are comprehensively analyzed across various boundary scenarios. Meanwhile, two cavities milling experiments are conducted to compare the new method with conventional spiral complete coverage path methods. The comparation indicate that the new path meets the requirement for complete coverage in cavity machining while reducing path length and machining time by 12.70% and 12.34%, respectively.Comment: This article has not been formally published yet and may undergo minor content change

Surface Remeshing and Applications

Due to the focus of popular graphic accelerators, triangle meshes remain the primary representation for 3D surfaces. They are the simplest form of interpolation between surface samples, which may have been acquired with a laser scanner, computed from a 3D scalar field resolved on a regular grid, or identified on slices of medical data. Typical methods for the generation of triangle meshes from raw data attempt to lose as less information as possible, so that the resulting surface models can be used in the widest range of scenarios. When such a general-purpose model has to be used in a particular application context, however, a pre-processing is often worth to be considered. In some cases, it is convenient to slightly modify the geometry and/or the connectivity of the mesh, so that further processing can take place more easily. Other applications may require the mesh to have a pre-defined structure, which is often different from the one of the original general-purpose mesh. The central focus of this thesis is the automatic remeshing of highly detailed surface triangulations. Besides a thorough discussion of state-of-the-art applications such as real-time rendering and simulation, new approaches are proposed which use remeshing for topological analysis, flexible mesh generation and 3D compression. Furthermore, innovative methods are introduced to post-process polygonal models in order to recover information which was lost, or hidden, by a prior remeshing process. Besides the technical contributions, this thesis aims at showing that surface remeshing is much more useful than it may seem at a first sight, as it represents a nearly fundamental step for making several applications feasible in practice

Geometric algorithms for cavity detection on protein surfaces

Macromolecular structures such as proteins heavily empower cellular processes or functions. These biological functions result from interactions between proteins and peptides, catalytic substrates, nucleotides or even human-made chemicals. Thus, several interactions can be distinguished: protein-ligand, protein-protein, protein-DNA, and so on. Furthermore, those interactions only happen under chemical- and shapecomplementarity conditions, and usually take place in regions known as binding sites. Typically, a protein consists of four structural levels. The primary structure of a protein is made up of its amino acid sequences (or chains). Its secondary structure essentially comprises -helices and -sheets, which are sub-sequences (or sub-domains) of amino acids of the primary structure. Its tertiary structure results from the composition of sub-domains into domains, which represent the geometric shape of the protein. Finally, the quaternary structure of a protein results from the aggregate of two or more tertiary structures, usually known as a protein complex. This thesis fits in the scope of structure-based drug design and protein docking. Specifically, one addresses the fundamental problem of detecting and identifying protein cavities, which are often seen as tentative binding sites for ligands in protein-ligand interactions. In general, cavity prediction algorithms split into three main categories: energy-based, geometry-based, and evolution-based. Evolutionary methods build upon evolutionary sequence conservation estimates; that is, these methods allow us to detect functional sites through the computation of the evolutionary conservation of the positions of amino acids in proteins. Energy-based methods build upon the computation of interaction energies between protein and ligand atoms. In turn, geometry-based algorithms build upon the analysis of the geometric shape of the protein (i.e., its tertiary structure) to identify cavities. This thesis focuses on geometric methods. We introduce here three new geometric-based algorithms for protein cavity detection. The main contribution of this thesis lies in the use of computer graphics techniques in the analysis and recognition of cavities in proteins, much in the spirit of molecular graphics and modeling. As seen further ahead, these techniques include field-of-view (FoV), voxel ray casting, back-face culling, shape diameter functions, Morse theory, and critical points. The leading idea is to come up with protein shape segmentation, much like we commonly do in mesh segmentation in computer graphics. In practice, protein cavity algorithms are nothing more than segmentation algorithms designed for proteins.Estruturas macromoleculares tais como as proteínas potencializam processos ou funções celulares. Estas funções resultam das interações entre proteínas e peptídeos, substratos catalíticos, nucleótideos, ou até mesmo substâncias químicas produzidas pelo homem. Assim, há vários tipos de interacções: proteína-ligante, proteína-proteína, proteína-DNA e assim por diante. Além disso, estas interações geralmente ocorrem em regiões conhecidas como locais de ligação (binding sites, do inglês) e só acontecem sob condições de complementaridade química e de forma. É também importante referir que uma proteína pode ser estruturada em quatro níveis. A estrutura primária que consiste em sequências de aminoácidos (ou cadeias), a estrutura secundária que compreende essencialmente por hélices e folhas , que são subsequências (ou subdomínios) dos aminoácidos da estrutura primária, a estrutura terciária que resulta da composição de subdomínios em domínios, que por sua vez representa a forma geométrica da proteína, e por fim a estrutura quaternária que é o resultado da agregação de duas ou mais estruturas terciárias. Este último nível estrutural é frequentemente conhecido por um complexo proteico. Esta tese enquadra-se no âmbito da conceção de fármacos baseados em estrutura e no acoplamento de proteínas. Mais especificamente, aborda-se o problema fundamental da deteção e identificação de cavidades que são frequentemente vistos como possíveis locais de ligação (putative binding sites, do inglês) para os seus ligantes (ligands, do inglês). De forma geral, os algoritmos de identificação de cavidades dividem-se em três categorias principais: baseados em energia, geometria ou evolução. Os métodos evolutivos baseiam-se em estimativas de conservação das sequências evolucionárias. Isto é, estes métodos permitem detectar locais funcionais através do cálculo da conservação evolutiva das posições dos aminoácidos das proteínas. Em relação aos métodos baseados em energia estes baseiam-se no cálculo das energias de interação entre átomos da proteína e do ligante. Por fim, os algoritmos geométricos baseiam-se na análise da forma geométrica da proteína para identificar cavidades. Esta tese foca-se nos métodos geométricos. Apresentamos nesta tese três novos algoritmos geométricos para detecção de cavidades em proteínas. A principal contribuição desta tese está no uso de técnicas de computação gráfica na análise e reconhecimento de cavidades em proteínas, muito no espírito da modelação e visualização molecular. Como pode ser visto mais à frente, estas técnicas incluem o field-of-view (FoV), voxel ray casting, back-face culling, funções de diâmetro de forma, a teoria de Morse, e os pontos críticos. A ideia principal é segmentar a proteína, à semelhança do que acontece na segmentação de malhas em computação gráfica. Na prática, os algoritmos de detecção de cavidades não são nada mais que algoritmos de segmentação de proteínas

Geodesic Active Fields:A Geometric Framework for Image Registration

Image registration is the concept of mapping homologous points in a pair of images. In other words, one is looking for an underlying deformation field that matches one image to a target image. The spectrum of applications of image registration is extremely large: It ranges from bio-medical imaging and computer vision, to remote sensing or geographic information systems, and even involves consumer electronics. Mathematically, image registration is an inverse problem that is ill-posed, which means that the exact solution might not exist or not be unique. In order to render the problem tractable, it is usual to write the problem as an energy minimization, and to introduce additional regularity constraints on the unknown data. In the case of image registration, one often minimizes an image mismatch energy, and adds an additive penalty on the deformation field regularity as smoothness prior. Here, we focus on the registration of the human cerebral cortex. Precise cortical registration is required, for example, in statistical group studies in functional MR imaging, or in the analysis of brain connectivity. In particular, we work with spherical inflations of the extracted hemispherical surface and associated features, such as cortical mean curvature. Spatial mapping between cortical surfaces can then be achieved by registering the respective spherical feature maps. Despite the simplified spherical geometry, inter-subject registration remains a challenging task, mainly due to the complexity and inter-subject variability of the involved brain structures. In this thesis, we therefore present a registration scheme, which takes the peculiarities of the spherical feature maps into particular consideration. First, we realize that we need an appropriate hierarchical representation, so as to coarsely align based on the important structures with greater inter-subject stability, before taking smaller and more variable details into account. Based on arguments from brain morphogenesis, we propose an anisotropic scale-space of mean-curvature maps, built around the Beltrami framework. Second, inspired by concepts from vision-related elements of psycho-physical Gestalt theory, we hypothesize that anisotropic Beltrami regularization better suits the requirements of image registration regularization, compared to traditional Gaussian filtering. Different objects in an image should be allowed to move separately, and regularization should be limited to within the individual Gestalts. We render the regularization feature-preserving by limiting diffusion across edges in the deformation field, which is in clear contrast to the indifferent linear smoothing. We do so by embedding the deformation field as a manifold in higher-dimensional space, and minimize the associated Beltrami energy which represents the hyperarea of this embedded manifold as measure of deformation field regularity. Further, instead of simply adding this regularity penalty to the image mismatch in lieu of the standard penalty, we propose to incorporate the local image mismatch as weighting function into the Beltrami energy. The image registration problem is thus reformulated as a weighted minimal surface problem. This approach has several appealing aspects, including (1) invariance to re-parametrization and ability to work with images defined on non-flat, Riemannian domains (e.g., curved surfaces, scalespaces), and (2) intrinsic modulation of the local regularization strength as a function of the local image mismatch and/or noise level. On a side note, we show that the proposed scheme can easily keep up with recent trends in image registration towards using diffeomorphic and inverse consistent deformation models. The proposed registration scheme, called Geodesic Active Fields (GAF), is non-linear and non-convex. Therefore we propose an efficient optimization scheme, based on splitting. Data-mismatch and deformation field regularity are optimized over two different deformation fields, which are constrained to be equal. The constraint is addressed using an augmented Lagrangian scheme, and the resulting optimization problem is solved efficiently using alternate minimization of simpler sub-problems. In particular, we show that the proposed method can easily compete with state-of-the-art registration methods, such as Demons. Finally, we provide an implementation of the fast GAF method on the sphere, so as to register the triangulated cortical feature maps. We build an automatic parcellation algorithm for the human cerebral cortex, which combines the delineations available on a set of atlas brains in a Bayesian approach, so as to automatically delineate the corresponding regions on a subject brain given its feature map. In a leave-one-out cross-validation study on 39 brain surfaces with 35 manually delineated gyral regions, we show that the pairwise subject-atlas registration with the proposed spherical registration scheme significantly improves the individual alignment of cortical labels between subject and atlas brains, and, consequently, that the estimated automatic parcellations after label fusion are of better quality

Proceedings, MSVSCC 2014

Proceedings of the 8th Annual Modeling, Simulation & Visualization Student Capstone Conference held on April 17, 2014 at VMASC in Suffolk, Virginia