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1.
Sci Data ; 11(1): 783, 2024 Jul 17.
Article in English | MEDLINE | ID: mdl-39019896

ABSTRACT

Protein Data Bank (PDB) files list the relative spatial location of atoms in a protein structure as the final output of the process of fitting and refining to experimentally determined electron density measurements. Where experimental evidence exists for multiple conformations, atoms are modelled in alternate locations. Programs reading PDB files commonly ignore these alternate conformations by default leaving users oblivious to the presence of alternate conformations in the structures they analyze. This has led to underappreciation of their prevalence, under characterisation of their features and limited the accessibility to this high-resolution data representing structural ensembles. We have trawled PDB files to extract structural features of residues with alternately located atoms. The output includes the distance between alternate conformations and identifies the location of these segments within the protein chain and in proximity of all other atoms within a defined radius. This dataset should be of use in efforts to predict multiple structures from a single sequence and support studies investigating protein flexibility and the association with protein function.


Subject(s)
Databases, Protein , Protein Conformation , Proteins , Proteins/chemistry , Crystallography, X-Ray , Models, Molecular
2.
IEEE Trans Pattern Anal Mach Intell ; 42(10): 2333-2345, 2020 Oct.
Article in English | MEDLINE | ID: mdl-31094683

ABSTRACT

Intel® RealSense™ SR300 is a depth camera capable of providing a VGA-size depth map at 60 fps and 0.125mm depth resolution. In addition, it outputs an infrared VGA-resolution image and a 1080p color texture image at 30 fps. SR300 form-factor enables it to be integrated into small consumer products and as a front facing camera in laptops and Ultrabooks™. The SR300 depth camera is based on a coded-light technology where triangulation between projected patterns and images captured by a dedicated sensor is used to produce the depth map. Each projected line is coded by a special temporal optical code, that enables a dense depth map reconstruction from its reflection. The solid mechanical assembly of the camera allows it to stay calibrated throughout temperature and pressure changes, drops, and hits. In addition, active dynamic control maintains a calibrated depth output. An extended API LibRS released with the camera allows developers to integrate the camera in various applications. Algorithms for 3D scanning, facial analysis, hand gesture recognition, and tracking are within reach for applications using the SR300. In this paper, we describe the underlying technology, hardware, and algorithms of the SR300, as well as its calibration procedure, and outline some use cases. We believe that this paper will provide a full case study of a mass-produced depth sensing product and technology.

3.
IEEE Trans Pattern Anal Mach Intell ; 37(12): 2505-17, 2015 Dec.
Article in English | MEDLINE | ID: mdl-26539854

ABSTRACT

We construct an extension of spectral and diffusion geometry to multiple modalities through simultaneous diagonalization of Laplacian matrices. This naturally extends classical data analysis tools based on spectral geometry, such as diffusion maps and spectral clustering. We provide several synthetic and real examples of manifold learning, object classification, and clustering, showing that the joint spectral geometry better captures the inherent structure of multi-modal data. We also show the relation of many previous approaches for multimodal manifold analysis to our framework.

4.
IEEE Trans Pattern Anal Mach Intell ; 36(4): 824-30, 2014 Apr.
Article in English | MEDLINE | ID: mdl-26353203

ABSTRACT

We introduce an efficient computational framework for hashing data belonging to multiple modalities into a single representation space where they become mutually comparable. The proposed approach is based on a novel coupled siamese neural network architecture and allows unified treatment of intra- and inter-modality similarity learning. Unlike existing cross-modality similarity learning approaches, our hashing functions are not limited to binarized linear projections and can assume arbitrarily complex forms. We show experimentally that our method significantly outperforms state-of-the-art hashing approaches on multimedia retrieval tasks.

5.
IEEE Trans Pattern Anal Mach Intell ; 33(11): 2316-20, 2011 Nov.
Article in English | MEDLINE | ID: mdl-21709304

ABSTRACT

Detection and description of affine-invariant features is a cornerstone component in numerous computer vision applications. In this note, we analyze the notion of maximally stable extremal regions (MSERs) through the prism of the curvature scale space, and conclude that in its original definition, MSER prefers regular (round) regions. Arguing that interesting features in natural images usually have irregular shapes, we propose alternative definitions of MSER which are free of this bias, yet maintain their invariance properties.

6.
IEEE Trans Pattern Anal Mach Intell ; 33(5): 1065-71, 2011 May.
Article in English | MEDLINE | ID: mdl-21135442

ABSTRACT

Recent works have shown the use of diffusion geometry for various pattern recognition applications, including nonrigid shape analysis. In this paper, we introduce spectral shape distance as a general framework for distribution-based shape similarity and show that two recent methods for shape similarity due to Rustamov and Mahmoudi and Sapiro are particular cases thereof.

7.
IEEE Trans Image Process ; 16(1): 188-97, 2007 Jan.
Article in English | MEDLINE | ID: mdl-17283777

ABSTRACT

Addressed here is the problem of constructing and analyzing expression-invariant representations of human faces. We demonstrate and justify experimentally a simple geometric model that allows to describe facial expressions as isometric deformations of the facial surface. The main step in the construction of expression-invariant representation of a face involves embedding of the facial intrinsic geometric structure into some low-dimensional space. We study the influence of the embedding space geometry and dimensionality choice on the representation accuracy and argue that compared to its Euclidean counterpart, spherical embedding leads to notably smaller metric distortions. We experimentally support our claim showing that a smaller embedding error leads to better recognition.


Subject(s)
Algorithms , Artificial Intelligence , Face/anatomy & histology , Facial Expression , Image Interpretation, Computer-Assisted/methods , Pattern Recognition, Automated/methods , Subtraction Technique , Computer Simulation , Humans , Image Enhancement/methods , Information Storage and Retrieval/methods , Models, Biological , Video Recording/methods
8.
Proc Natl Acad Sci U S A ; 103(5): 1168-72, 2006 Jan 31.
Article in English | MEDLINE | ID: mdl-16432211

ABSTRACT

An efficient algorithm for isometry-invariant matching of surfaces is presented. The key idea is computing the minimum-distortion mapping between two surfaces. For this purpose, we introduce the generalized multidimensional scaling, a computationally efficient continuous optimization algorithm for finding the least distortion embedding of one surface into another. The generalized multidimensional scaling algorithm allows for both full and partial surface matching. As an example, it is applied to the problem of expression-invariant three-dimensional face recognition.


Subject(s)
Hand/anatomy & histology , Pattern Recognition, Physiological , Pattern Recognition, Visual , Algorithms , Computer Simulation , Computers , Face , Humans , Kinetics , Models, Statistical , Models, Theoretical , Software , Surface Properties
9.
IEEE Trans Image Process ; 14(6): 726-36, 2005 Jun.
Article in English | MEDLINE | ID: mdl-15971772

ABSTRACT

The relative Newton algorithm, previously proposed for quasi-maximum likelihood blind source separation and blind deconvolution of one-dimensional signals is generalized for blind deconvolution of images. Smooth approximation of the absolute value is used as the nonlinear term for sparse sources. In addition, we propose a method of sparsification, which allows blind deconvolution of arbitrary sources, and show how to find optimal sparsifying transformations by supervised learning.


Subject(s)
Algorithms , Image Enhancement/methods , Image Interpretation, Computer-Assisted/methods , Information Storage and Retrieval/methods , Pattern Recognition, Automated/methods , Regression Analysis , Statistics as Topic
11.
IEEE Trans Med Imaging ; 21(11): 1395-401, 2002 Nov.
Article in English | MEDLINE | ID: mdl-12575876

ABSTRACT

We show an iterative reconstruction framework for diffraction ultrasound tomography. The use of broad-band illumination allows significant reduction of the number of projections compared to straight ray tomography. The proposed algorithm makes use of forward nonuniform fast Fourier transform (NUFFT) for iterative Fourier inversion. Incorporation of total variation regularization allows the reduction of noise and Gibbs phenomena while preserving the edges. The complexity of the NUFFT-based reconstruction is comparable to the frequency-domain interpolation (gridding) algorithm, whereas the reconstruction accuracy (in sense of the L2 and the L(infinity) norm) is better.


Subject(s)
Algorithms , Image Enhancement/methods , Signal Processing, Computer-Assisted , Ultrasonography/methods , Computer Simulation , Fourier Analysis , Phantoms, Imaging , Refractometry/methods , Reproducibility of Results , Scattering, Radiation , Sensitivity and Specificity
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