From 3D Point Clouds to Pose-Normalised Depth Maps

We consider the problem of generating either pairwise-aligned or pose-normalised depth maps from noisy 3D point clouds in a relatively unrestricted poses. Our system is deployed in a 3D face alignment application and consists of the following four stages: (i) data filtering, (ii) nose tip identification and sub-vertex localisation, (iii) computation of the (relative) face orientation, (iv) generation of either a pose aligned or a pose normalised depth map. We generate an implicit radial basis function (RBF) model of the facial surface and this is employed within all four stages of the process. For example, in stage (ii), construction of novel invariant features is based on sampling this RBF over a set of concentric spheres to give a spherically-sampled RBF (SSR) shape histogram. In stage (iii), a second novel descriptor, called an isoradius contour curvature signal, is defined, which allows rotational alignment to be determined using a simple process of 1D correlation. We test our system on both the University of York (UoY) 3D face dataset and the Face Recognition Grand Challenge (FRGC) 3D data. For the more challenging UoY data, our SSR descriptors significantly outperform three variants of spin images, successfully identifying nose vertices at a rate of 99.6%. Nose localisation performance on the higher quality FRGC data, which has only small pose variations, is 99.9%. Our best system successfully normalises the pose of 3D faces at rates of 99.1% (UoY data) and 99.6% (FRGC data)

Spherical harmonics coeffcients for ligand-based virtual screening of cyclooxygenase inhibitors

Background: Molecular descriptors are essential for many applications in computational chemistry, such as ligand-based similarity searching. Spherical harmonics have previously been suggested as comprehensive descriptors of molecular structure and properties. We investigate a spherical harmonics descriptor for shape-based virtual screening. Methodology/Principal Findings: We introduce and validate a partially rotation-invariant three-dimensional molecular shape descriptor based on the norm of spherical harmonics expansion coefficients. Using this molecular representation, we parameterize molecular surfaces, i.e., isosurfaces of spatial molecular property distributions. We validate the shape descriptor in a comprehensive retrospective virtual screening experiment. In a prospective study, we virtually screen a large compound library for cyclooxygenase inhibitors, using a self-organizing map as a pre-filter and the shape descriptor for candidate prioritization. Conclusions/Significance: 12 compounds were tested in vitro for direct enzyme inhibition and in a whole blood assay. Active compounds containing a triazole scaffold were identified as direct cyclooxygenase-1 inhibitors. This outcome corroborates the usefulness of spherical harmonics for representation of molecular shape in virtual screening of large compound collections. The combination of pharmacophore and shape-based filtering of screening candidates proved to be a straightforward approach to finding novel bioactive chemotypes with minimal experimental effort

Multi-view Convolutional Neural Networks for 3D Shape Recognition

A longstanding question in computer vision concerns the representation of 3D shapes for recognition: should 3D shapes be represented with descriptors operating on their native 3D formats, such as voxel grid or polygon mesh, or can they be effectively represented with view-based descriptors? We address this question in the context of learning to recognize 3D shapes from a collection of their rendered views on 2D images. We first present a standard CNN architecture trained to recognize the shapes' rendered views independently of each other, and show that a 3D shape can be recognized even from a single view at an accuracy far higher than using state-of-the-art 3D shape descriptors. Recognition rates further increase when multiple views of the shapes are provided. In addition, we present a novel CNN architecture that combines information from multiple views of a 3D shape into a single and compact shape descriptor offering even better recognition performance. The same architecture can be applied to accurately recognize human hand-drawn sketches of shapes. We conclude that a collection of 2D views can be highly informative for 3D shape recognition and is amenable to emerging CNN architectures and their derivatives.Comment: v1: Initial version. v2: An updated ModelNet40 training/test split is used; results with low-rank Mahalanobis metric learning are added. v3 (ICCV 2015): A second camera setup without the upright orientation assumption is added; some accuracy and mAP numbers are changed slightly because a small issue in mesh rendering related to specularities is fixe

Retrieval and classification methods for textured 3D models: a comparative study

International audienceThis paper presents a comparative study of six methods for the retrieval and classification of tex-tured 3D models, which have been selected as representative of the state of the art. To better analyse and control how methods deal with specific classes of geometric and texture deformations, we built a collection of 572 synthetic textured mesh models, in which each class includes multiple texture and geometric modifications of a small set of null models. Results show a challenging, yet lively, scenario and also reveal interesting insights in how to deal with texture information according to different approaches, possibly working in the CIELab as well as in modifications of the RGB colour space

Screened poisson hyperfields for shape coding

We present a novel perspective on shape characterization using the screened Poisson equation. We discuss that the effect of the screening parameter is a change of measure of the underlying metric space. Screening also indicates a conditioned random walker biased by the choice of measure. A continuum of shape fields is created by varying the screening parameter or, equivalently, the bias of the random walker. In addition to creating a regional encoding of the diffusion with a different bias, we further break down the influence of boundary interactions by considering a number of independent random walks, each emanating from a certain boundary point, whose superposition yields the screened Poisson field. Probing the screened Poisson equation from these two complementary perspectives leads to a high-dimensional hyperfield: a rich characterization of the shape that encodes global, local, interior, and boundary interactions. To extract particular shape information as needed in a compact way from the hyperfield, we apply various decompositions either to unveil parts of a shape or parts of a boundary or to create consistent mappings. The latter technique involves lower-dimensional embeddings, which we call screened Poisson encoding maps (SPEM). The expressive power of the SPEM is demonstrated via illustrative experiments as well as a quantitative shape retrieval experiment over a public benchmark database on which the SPEM method shows a high-ranking performance among the existing state-of-the-art shape retrieval methods