Robust Temporally Coherent Laplacian Protrusion Segmentation of 3D Articulated Bodies

In motion analysis and understanding it is important to be able to fit a suitable model or structure to the temporal series of observed data, in order to describe motion patterns in a compact way, and to discriminate between them. In an unsupervised context, i.e., no prior model of the moving object(s) is available, such a structure has to be learned from the data in a bottom-up fashion. In recent times, volumetric approaches in which the motion is captured from a number of cameras and a voxel-set representation of the body is built from the camera views, have gained ground due to attractive features such as inherent view-invariance and robustness to occlusions. Automatic, unsupervised segmentation of moving bodies along entire sequences, in a temporally-coherent and robust way, has the potential to provide a means of constructing a bottom-up model of the moving body, and track motion cues that may be later exploited for motion classification. Spectral methods such as locally linear embedding (LLE) can be useful in this context, as they preserve "protrusions", i.e., high-curvature regions of the 3D volume, of articulated shapes, while improving their separation in a lower dimensional space, making them in this way easier to cluster. In this paper we therefore propose a spectral approach to unsupervised and temporally-coherent body-protrusion segmentation along time sequences. Volumetric shapes are clustered in an embedding space, clusters are propagated in time to ensure coherence, and merged or split to accommodate changes in the body's topology. Experiments on both synthetic and real sequences of dense voxel-set data are shown. This supports the ability of the proposed method to cluster body-parts consistently over time in a totally unsupervised fashion, its robustness to sampling density and shape quality, and its potential for bottom-up model constructionComment: 31 pages, 26 figure

Identifying Ligand Binding Conformations of the β2-Adrenergic Receptor by Using Its Agonists as Computational Probes

Recently available G-protein coupled receptor (GPCR) structures and biophysical studies suggest that the difference between the effects of various agonists and antagonists cannot be explained by single structures alone, but rather that the conformational ensembles of the proteins need to be considered. Here we use an elastic network model-guided molecular dynamics simulation protocol to generate an ensemble of conformers of a prototypical GPCR, β2-adrenergic receptor (β2AR). The resulting conformers are clustered into groups based on the conformations of the ligand binding site, and distinct conformers from each group are assessed for their binding to known agonists of β2AR. We show that the select ligands bind preferentially to different predicted conformers of β2AR, and identify a role of β2AR extracellular region as an allosteric binding site for larger drugs such as salmeterol. Thus, drugs and ligands can be used as "computational probes" to systematically identify protein conformers with likely biological significance. © 2012 Isin et al

Data-Driven Shape Analysis and Processing

Data-driven methods play an increasingly important role in discovering geometric, structural, and semantic relationships between 3D shapes in collections, and applying this analysis to support intelligent modeling, editing, and visualization of geometric data. In contrast to traditional approaches, a key feature of data-driven approaches is that they aggregate information from a collection of shapes to improve the analysis and processing of individual shapes. In addition, they are able to learn models that reason about properties and relationships of shapes without relying on hard-coded rules or explicitly programmed instructions. We provide an overview of the main concepts and components of these techniques, and discuss their application to shape classification, segmentation, matching, reconstruction, modeling and exploration, as well as scene analysis and synthesis, through reviewing the literature and relating the existing works with both qualitative and numerical comparisons. We conclude our report with ideas that can inspire future research in data-driven shape analysis and processing.Comment: 10 pages, 19 figure

Taming a non-convex landscape with dynamical long-range order: memcomputing Ising benchmarks

Recent work on quantum annealing has emphasized the role of collective behavior in solving optimization problems. By enabling transitions of clusters of variables, such solvers are able to navigate their state space and locate solutions more efficiently despite having only local connections between elements. However, collective behavior is not exclusive to quantum annealers, and classical solvers that display collective dynamics should also possess an advantage in navigating a non-convex landscape. Here, we give evidence that a benchmark derived from quantum annealing studies is solvable in polynomial time using digital memcomputing machines, which utilize a collection of dynamical components with memory to represent the structure of the underlying optimization problem. To illustrate the role of memory and clarify the structure of these solvers we propose a simple model of these machines that demonstrates the emergence of long-range order. This model, when applied to finding the ground state of the Ising frustrated-loop benchmarks, undergoes a transient phase of avalanches which can span the entire lattice and demonstrates a connection between long-range behavior and their probability of success. These results establish the advantages of computational approaches based on collective dynamics of continuous dynamical systems