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2014


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Wenn es was zu sagen gibt

(Klaus Tschira Award 2014 in Computer Science)

Trimpe, S.

Bild der Wissenschaft, pages: 20-23, November 2014, (popular science article in German) (article)

am ics

PDF Project Page [BibTex]

2014


PDF Project Page [BibTex]


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Advanced Structured Prediction

Nowozin, S., Gehler, P. V., Jancsary, J., Lampert, C. H.

Advanced Structured Prediction, pages: 432, Neural Information Processing Series, MIT Press, November 2014 (book)

Abstract
The goal of structured prediction is to build machine learning models that predict relational information that itself has structure, such as being composed of multiple interrelated parts. These models, which reflect prior knowledge, task-specific relations, and constraints, are used in fields including computer vision, speech recognition, natural language processing, and computational biology. They can carry out such tasks as predicting a natural language sentence, or segmenting an image into meaningful components. These models are expressive and powerful, but exact computation is often intractable. A broad research effort in recent years has aimed at designing structured prediction models and approximate inference and learning procedures that are computationally efficient. This volume offers an overview of this recent research in order to make the work accessible to a broader research community. The chapters, by leading researchers in the field, cover a range of topics, including research trends, the linear programming relaxation approach, innovations in probabilistic modeling, recent theoretical progress, and resource-aware learning.

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publisher link (url) [BibTex]

publisher link (url) [BibTex]


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MoSh: Motion and Shape Capture from Sparse Markers

Loper, M. M., Mahmood, N., Black, M. J.

ACM Transactions on Graphics, (Proc. SIGGRAPH Asia), 33(6):220:1-220:13, ACM, New York, NY, USA, November 2014 (article)

Abstract
Marker-based motion capture (mocap) is widely criticized as producing lifeless animations. We argue that important information about body surface motion is present in standard marker sets but is lost in extracting a skeleton. We demonstrate a new approach called MoSh (Motion and Shape capture), that automatically extracts this detail from mocap data. MoSh estimates body shape and pose together using sparse marker data by exploiting a parametric model of the human body. In contrast to previous work, MoSh solves for the marker locations relative to the body and estimates accurate body shape directly from the markers without the use of 3D scans; this effectively turns a mocap system into an approximate body scanner. MoSh is able to capture soft tissue motions directly from markers by allowing body shape to vary over time. We evaluate the effect of different marker sets on pose and shape accuracy and propose a new sparse marker set for capturing soft-tissue motion. We illustrate MoSh by recovering body shape, pose, and soft-tissue motion from archival mocap data and using this to produce animations with subtlety and realism. We also show soft-tissue motion retargeting to new characters and show how to magnify the 3D deformations of soft tissue to create animations with appealing exaggerations.

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pdf video data pdf from publisher link (url) DOI Project Page Project Page Project Page [BibTex]

pdf video data pdf from publisher link (url) DOI Project Page Project Page Project Page [BibTex]


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Can I recognize my body’s weight? The influence of shape and texture on the perception of self

Piryankova, I., Stefanucci, J., Romero, J., de la Rosa, S., Black, M., Mohler, B.

ACM Transactions on Applied Perception for the Symposium on Applied Perception, 11(3):13:1-13:18, September 2014 (article)

Abstract
The goal of this research was to investigate women’s sensitivity to changes in their perceived weight by altering the body mass index (BMI) of the participants’ personalized avatars displayed on a large-screen immersive display. We created the personalized avatars with a full-body 3D scanner that records both the participants’ body geometry and texture. We altered the weight of the personalized avatars to produce changes in BMI while keeping height, arm length and inseam fixed and exploited the correlation between body geometry and anthropometric measurements encapsulated in a statistical body shape model created from thousands of body scans. In a 2x2 psychophysical experiment, we investigated the relative importance of visual cues, namely shape (own shape vs. an average female body shape with equivalent height and BMI to the participant) and texture (own photo-realistic texture or checkerboard pattern texture) on the ability to accurately perceive own current body weight (by asking them ‘Is the avatar the same weight as you?’). Our results indicate that shape (where height and BMI are fixed) had little effect on the perception of body weight. Interestingly, the participants perceived their body weight veridically when they saw their own photo-realistic texture and significantly underestimated their body weight when the avatar had a checkerboard patterned texture. The range that the participants accepted as their own current weight was approximately a 0.83 to −6.05 BMI% change tolerance range around their perceived weight. Both the shape and the texture had an effect on the reported similarity of the body parts and the whole avatar to the participant’s body. This work has implications for new measures for patients with body image disorders, as well as researchers interested in creating personalized avatars for games, training applications or virtual reality.

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pdf DOI Project Page Project Page [BibTex]

pdf DOI Project Page Project Page [BibTex]


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Breathing Life into Shape: Capturing, Modeling and Animating 3D Human Breathing

Tsoli, A., Mahmood, N., Black, M. J.

ACM Transactions on Graphics, (Proc. SIGGRAPH), 33(4):52:1-52:11, ACM, New York, NY, July 2014 (article)

Abstract
Modeling how the human body deforms during breathing is important for the realistic animation of lifelike 3D avatars. We learn a model of body shape deformations due to breathing for different breathing types and provide simple animation controls to render lifelike breathing regardless of body shape. We capture and align high-resolution 3D scans of 58 human subjects. We compute deviations from each subject’s mean shape during breathing, and study the statistics of such shape changes for different genders, body shapes, and breathing types. We use the volume of the registered scans as a proxy for lung volume and learn a novel non-linear model relating volume and breathing type to 3D shape deformations and pose changes. We then augment a SCAPE body model so that body shape is determined by identity, pose, and the parameters of the breathing model. These parameters provide an intuitive interface with which animators can synthesize 3D human avatars with realistic breathing motions. We also develop a novel interface for animating breathing using a spirometer, which measures the changes in breathing volume of a “breath actor.”

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pdf video link (url) DOI Project Page Project Page Project Page [BibTex]


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Nanopropellers and Their Actuation in Complex Viscoelastic Media

Schamel, D., Mark, A. G., Gibbs, J. G., Miksch, C., Morozov, K. I., Leshansky, A. M., Fischer, P.

ACS Nano, 8(9):8794-8801, June 2014, Featured cover article. (article)

Abstract
Tissue and biological fluids are complex viscoelastic media with a nanoporous macromolecular structure. Here, we demonstrate that helical nanopropellers can be controllably steered through such a biological gel. The screw-propellers have a filament diameter of about 70 nm and are smaller than previously reported nanopropellers as well as any swimming microorganism. We show that the nanoscrews will move through high-viscosity solutions with comparable velocities to that of larger micropropellers, even though they are so small that Brownian forces suppress their actuation in pure water. When actuated in viscoelastic hyaluronan gels, the nanopropellers appear to have a significant advantage, as they are of the same size range as the gel’s mesh size. Whereas larger helices will show very low or negligible propulsion in hyaluronan solutions, the nanoscrews actually display significantly enhanced propulsion velocities that exceed the highest measured speeds in Newtonian fluids. The nanopropellers are not only promising for applications in the extracellular environment but small enough to be taken up by cells.

Featured cover article.

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Video - Helical Micro and Nanopropellers for Applications in Biological Fluidic Environments link (url) DOI [BibTex]


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3D Traffic Scene Understanding from Movable Platforms

Geiger, A., Lauer, M., Wojek, C., Stiller, C., Urtasun, R.

IEEE Transactions on Pattern Analysis and Machine Intelligence (PAMI), 36(5):1012-1025, published, IEEE, Los Alamitos, CA, May 2014 (article)

Abstract
In this paper, we present a novel probabilistic generative model for multi-object traffic scene understanding from movable platforms which reasons jointly about the 3D scene layout as well as the location and orientation of objects in the scene. In particular, the scene topology, geometry and traffic activities are inferred from short video sequences. Inspired by the impressive driving capabilities of humans, our model does not rely on GPS, lidar or map knowledge. Instead, it takes advantage of a diverse set of visual cues in the form of vehicle tracklets, vanishing points, semantic scene labels, scene flow and occupancy grids. For each of these cues we propose likelihood functions that are integrated into a probabilistic generative model. We learn all model parameters from training data using contrastive divergence. Experiments conducted on videos of 113 representative intersections show that our approach successfully infers the correct layout in a variety of very challenging scenarios. To evaluate the importance of each feature cue, experiments using different feature combinations are conducted. Furthermore, we show how by employing context derived from the proposed method we are able to improve over the state-of-the-art in terms of object detection and object orientation estimation in challenging and cluttered urban environments.

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pdf link (url) [BibTex]

pdf link (url) [BibTex]


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Adaptive Offset Correction for Intracortical Brain Computer Interfaces

Homer, M. L., Perge, J. A., Black, M. J., Harrison, M. T., Cash, S. S., Hochberg, L. R.

IEEE Transactions on Neural Systems and Rehabilitation Engineering, 22(2):239-248, March 2014 (article)

Abstract
Intracortical brain computer interfaces (iBCIs) decode intended movement from neural activity for the control of external devices such as a robotic arm. Standard approaches include a calibration phase to estimate decoding parameters. During iBCI operation, the statistical properties of the neural activity can depart from those observed during calibration, sometimes hindering a user’s ability to control the iBCI. To address this problem, we adaptively correct the offset terms within a Kalman filter decoder via penalized maximum likelihood estimation. The approach can handle rapid shifts in neural signal behavior (on the order of seconds) and requires no knowledge of the intended movement. The algorithm, called MOCA, was tested using simulated neural activity and evaluated retrospectively using data collected from two people with tetraplegia operating an iBCI. In 19 clinical research test cases, where a nonadaptive Kalman filter yielded relatively high decoding errors, MOCA significantly reduced these errors (10.6 ± 10.1\%; p < 0.05, pairwise t-test). MOCA did not significantly change the error in the remaining 23 cases where a nonadaptive Kalman filter already performed well. These results suggest that MOCA provides more robust decoding than the standard Kalman filter for iBCIs.

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pdf DOI Project Page [BibTex]

pdf DOI Project Page [BibTex]


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Circular polarization interferometry: circularly polarized modes of cholesteric liquid crystals

Sanchez-Castillo, A., Eslami, S., Giesselmann, F., Fischer, P.

OPTICS EXPRESS, 22(25):31227-31236, 2014 (article)

Abstract
We describe a novel polarization interferometer which permits the determination of the refractive indices for circularly-polarized light. It is based on a Jamin-Lebedeff interferometer, modified with waveplates, and permits us to experimentally determine the refractive indices n(L) and n(R) of the respectively left- and right-circularly polarized modes in a cholesteric liquid crystal. Whereas optical rotation measurements only determine the circular birefringence, i.e. the difference (n(L) - n(R)), the interferometer also permits the determination of their absolute values. We report refractive indices of a cholesteric liquid crystal in the region of selective (Bragg) reflection as a function of temperature. (C) 2014 Optical Society of America

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DOI [BibTex]

DOI [BibTex]


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Self-Propelling Nanomotors in the Presence of Strong Brownian Forces

Lee, T., Alarcon-Correa, M., Miksch, C., Hahn, K., Gibbs, J. G., Fischer, P.

NANO LETTERS, 14(5):2407-2412, 2014 (article)

Abstract
Motility in living systems is due to an array of complex molecular nanomotors that are essential for the function and survival of cells. These protein nanomotors operate not only despite of but also because of stochastic forces. Artificial means of realizing motility rely on local concentration or temperature gradients that are established across a particle, resulting in slip velocities at the particle surface and thus motion of the particle relative to the fluid. However, it remains unclear if these artificial motors can function at the smallest of scales, where Brownian motion dominates and no actively propelled living organisms can be found. Recently, the first reports have appeared suggesting that the swimming mechanisms of artificial structures may also apply to enzymes that are catalytically active. Here we report a scheme to realize artificial Janus nanoparticles (JNPs) with an overall size that is comparable to that of some enzymes similar to 30 nm. Our JNPs can catalyze the decomposition of hydrogen peroxide to water and oxygen and thus actively move by self-electrophoresis. Geometric anisotropy of the Pt-Au Janus nanoparticles permits the simultaneous observation of their translational and rotational motion by dynamic light scattering. While their dynamics is strongly influenced by Brownian rotation, the artificial Janus nanomotors show bursts of linear ballistic motion resulting in enhanced diffusion.

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DOI [BibTex]


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Shape control in wafer-based aperiodic 3D nanostructures

Hyeon-Ho, J., Mark, A. G., Gibbs, J. G., Reindl, T., Waizmann, U., Weis, J., Fischer, P.

NANOTECHNOLOGY, 25(23), 2014, Cover article. (article)

Abstract
Controlled local fabrication of three-dimensional (3D) nanostructures is important to explore and enhance the function of single nanodevices, but is experimentally challenging. We present a scheme based on e-beam lithography (EBL) written seeds, and glancing angle deposition (GLAD) grown structures to create nanoscale objects with defined shapes but in aperiodic arrangements. By using a continuous sacrificial corral surrounding the features of interest we grow isolated 3D nanostructures that have complex cross-sections and sidewall morphology that are surrounded by zones of clean substrate.

Cover article.

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DOI [BibTex]

DOI [BibTex]


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A Limiting Property of the Matrix Exponential

Trimpe, S., D’Andrea, R.

IEEE Transactions on Automatic Control, 59(4):1105-1110, 2014 (article)

am ics

PDF DOI [BibTex]

PDF DOI [BibTex]


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Event-Based State Estimation With Variance-Based Triggering

Trimpe, S., D’Andrea, R.

IEEE Transactions on Automatic Control, 59(12):3266-3281, 2014 (article)

am ics

PDF Supplementary material DOI Project Page [BibTex]

PDF Supplementary material DOI Project Page [BibTex]


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A freely-moving monkey treadmill model

Foster, J., Nuyujukian, P., Freifeld, O., Gao, H., Walker, R., Ryu, S., Meng, T., Murmann, B., Black, M., Shenoy, K.

J. of Neural Engineering, 11(4):046020, 2014 (article)

Abstract
Objective: Motor neuroscience and brain-machine interface (BMI) design is based on examining how the brain controls voluntary movement, typically by recording neural activity and behavior from animal models. Recording technologies used with these animal models have traditionally limited the range of behaviors that can be studied, and thus the generality of science and engineering research. We aim to design a freely-moving animal model using neural and behavioral recording technologies that do not constrain movement. Approach: We have established a freely-moving rhesus monkey model employing technology that transmits neural activity from an intracortical array using a head-mounted device and records behavior through computer vision using markerless motion capture. We demonstrate the excitability and utility of this new monkey model, including the fi rst recordings from motor cortex while rhesus monkeys walk quadrupedally on a treadmill. Main results: Using this monkey model, we show that multi-unit threshold-crossing neural activity encodes the phase of walking and that the average ring rate of the threshold crossings covaries with the speed of individual steps. On a population level, we find that neural state-space trajectories of walking at diff erent speeds have similar rotational dynamics in some dimensions that evolve at the step rate of walking, yet robustly separate by speed in other state-space dimensions. Significance: Freely-moving animal models may allow neuroscientists to examine a wider range of behaviors and can provide a flexible experimental paradigm for examining the neural mechanisms that underlie movement generation across behaviors and environments. For BMIs, freely-moving animal models have the potential to aid prosthetic design by examining how neural encoding changes with posture, environment, and other real-world context changes. Understanding this new realm of behavior in more naturalistic settings is essential for overall progress of basic motor neuroscience and for the successful translation of BMIs to people with paralysis.

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pdf Supplementary DOI Project Page [BibTex]

pdf Supplementary DOI Project Page [BibTex]


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Swimming by reciprocal motion at low Reynolds number

Qiu, T., Lee, T., Mark, A. G., Morozov, K. I., Muenster, R., Mierka, O., Turek, S., Leshansky, A. M., Fischer, P.

NATURE COMMUNICATIONS, 5, 2014, Max Planck Press Release. (article)

Abstract
Biological microorganisms swim with flagella and cilia that execute nonreciprocal motions for low Reynolds number (Re) propulsion in viscous fluids. This symmetry requirement is a consequence of Purcell's scallop theorem, which complicates the actuation scheme needed by microswimmers. However, most biomedically important fluids are non-Newtonian where the scallop theorem no longer holds. It should therefore be possible to realize a microswimmer that moves with reciprocal periodic body-shape changes in non-Newtonian fluids. Here we report a symmetric `micro-scallop', a single-hinge microswimmer that can propel in shear thickening and shear thinning (non-Newtonian) fluids by reciprocal motion at low Re. Excellent agreement between our measurements and both numerical and analytical theoretical predictions indicates that the net propulsion is caused by modulation of the fluid viscosity upon varying the shear rate. This reciprocal swimming mechanism opens new possibilities in designing biomedical microdevices that can propel by a simple actuation scheme in non-Newtonian biological fluids.

Max Planck Press Release.

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Video - A Swimming Micro-Scallop Video - Winner of the Micro-robotic Design Challenge in Hamlyn Symposium on Medical Robotics DOI [BibTex]

Video - A Swimming Micro-Scallop Video - Winner of the Micro-robotic Design Challenge in Hamlyn Symposium on Medical Robotics DOI [BibTex]


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Nanohelices by shadow growth

Gibbs, J. G., Mark, A. G., Lee, T., Eslami, S., Schamel, D., Fischer, P.

NANOSCALE, 6(16):9457-9466, 2014 (article)

Abstract
The helix has remarkable qualities and is prevalent in many fields including mathematics, physics, chemistry, and biology. This shape, which is chiral by nature, is ubiquitous in biology with perhaps the most famous example being DNA. Other naturally occurring helices are common at the nanoscale in the form of protein secondary structures and in various macromolecules. Nanoscale helices exhibit a wide range of interesting mechanical, optical, and electrical properties which can be intentionally engineered into the structure by choosing the correct morphology and material. As technology advances, these fabrication parameters can be fine-tuned and matched to the application of interest. Herein, we focus on the fabrication and properties of nanohelices grown by a dynamic shadowing growth method combined with fast wafer-scale substrate patterning which has a number of distinct advantages. We review the fabrication methodology and provide several examples that illustrate the generality and utility of nanohelices shadow-grown on nanopatterns.

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Video - Fabrication of Designer Nanostructures DOI [BibTex]


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Chiral Nanomagnets

Eslami, S., Gibbs, J. G., Rechkemmer, Y., van Slageren, J., Alarcon-Correa, M., Lee, T., Mark, A. G., Rikken, G. L. J. A., Fischer, P.

ACS PHOTONICS, 1(11):1231-1236, 2014 (article)

Abstract
We report on the enhanced optical properties of chiral magnetic nanohelices with critical dimensions comparable to the ferromagnetic domain size. They are shown to be ferromagnetic at room temperature, have defined chirality, and exhibit large optical activity in the visible as verified by electron microscopy, superconducting quantum interference device (SQUID) magnetometry, natural circular dichroism (NCD), and magnetic circular dichroism (MCD) measurements. The structures exhibit magneto-chiral dichroism (MChD), which directly demonstrates coupling between their structural chirality and magnetism. A chiral nickel (Ni) film consisting of an array of nanohelices similar to 100 nm in length exhibits an MChD anisotropy factor g(MChD) approximate to 10(-4) T-1 at room temperature in a saturation field of similar to 0.2 T, permitting polarization-independent control of the film's absorption properties through magnetic field modulation. This is also the first report of MChD in a material with structural chirality on the order of the wavelength of light, and therefore the Ni nanohelix array is a metamaterial with magnetochiral properties that can be tailored through a dynamic deposition process.

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DOI [BibTex]

DOI [BibTex]


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Wireless powering of e-swimmers

Roche, J., Carrara, S., Sanchez, J., Lannelongue, J., Loget, G., Bouffier, L., Fischer, P., Kuhn, A.

SCIENTIFIC REPORTS, 4, 2014 (article)

Abstract
Miniaturized structures that can move in a controlled way in solution and integrate various functionalities are attracting considerable attention due to the potential applications in fields ranging from autonomous micromotors to roving sensors. Here we introduce a concept which allows, depending on their specific design, the controlled directional motion of objects in water, combined with electronic functionalities such as the emission of light, sensing, signal conversion, treatment and transmission. The approach is based on electric field-induced polarization, which triggers different chemical reactions at the surface of the object and thereby its propulsion. This results in a localized electric current that can power in a wireless way electronic devices in water, leading to a new class of electronic swimmers (e-swimmers).

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DOI [BibTex]

DOI [BibTex]


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Swelling and shrinking behaviour of photoresponsive phosphonium-based ionogel microstructures

Czugala, M., O’Connell, C., Blin, C., Fischer, P., Fraser, K. J., Benito-Lopez, F., Diamond, D.

SENSORS AND ACTUATORS B-CHEMICAL, 194, pages: 105-113, 2014 (article)

Abstract
Photoresponsive N-isopropylacrylamide ionogel microstructures are presented in this study. These ionogels are synthesised using phosphonium based room temperature ionic liquids, together with the photochromic compound benzospiropyran. The microstructures can be actuated using light irradiation, facilitating non-contact and non-invasive operation. For the first time, the characterisation of the swelling and shrinking behaviour of several photopatterned ionogel microstructures is presented and the influence of surface-area-to-volume ratio on the swelling kinetics is evaluated. It was found that the swelling and shrinking behaviour of the ionogels is strongly dependent on the nature of the ionic liquid. In particular, the {[}P-6,P-6,P-6,P-14]{[}NTf2] ionogel exhibits the greatest degree of swelling, reaching up to 180\% of its initial size, and the fastest shrinkage rate (k(sh) = 29 +/- 4 x 10(-2) s(-1)). (C) 2014 Elsevier B. V. All rights reserved.

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DOI [BibTex]

DOI [BibTex]


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Simulated Annealing

Gall, J.

In Encyclopedia of Computer Vision, pages: 737-741, 0, (Editors: Ikeuchi, K. ), Springer Verlag, 2014, to appear (inbook)

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[BibTex]

[BibTex]


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A Quantitative Analysis of Current Practices in Optical Flow Estimation and the Principles behind Them

Sun, D., Roth, S., Black, M. J.

International Journal of Computer Vision (IJCV), 106(2):115-137, 2014 (article)

Abstract
The accuracy of optical flow estimation algorithms has been improving steadily as evidenced by results on the Middlebury optical flow benchmark. The typical formulation, however, has changed little since the work of Horn and Schunck. We attempt to uncover what has made recent advances possible through a thorough analysis of how the objective function, the optimization method, and modern implementation practices influence accuracy. We discover that "classical'' flow formulations perform surprisingly well when combined with modern optimization and implementation techniques. One key implementation detail is the median filtering of intermediate flow fields during optimization. While this improves the robustness of classical methods it actually leads to higher energy solutions, meaning that these methods are not optimizing the original objective function. To understand the principles behind this phenomenon, we derive a new objective function that formalizes the median filtering heuristic. This objective function includes a non-local smoothness term that robustly integrates flow estimates over large spatial neighborhoods. By modifying this new term to include information about flow and image boundaries we develop a method that can better preserve motion details. To take advantage of the trend towards video in wide-screen format, we further introduce an asymmetric pyramid downsampling scheme that enables the estimation of longer range horizontal motions. The methods are evaluated on Middlebury, MPI Sintel, and KITTI datasets using the same parameter settings.

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pdf full text code [BibTex]

pdf full text code [BibTex]

2003


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New electro-optic effect: Sum-frequency generation from optically active liquids in the presence of a dc electric field

Fischer, P., Buckingham, A., Beckwitt, K., Wiersma, D., Wise, F.

PHYSICAL REVIEW LETTERS, 91(17), 2003 (article)

Abstract
We report the observation of sum-frequency signals that depend linearly on an applied electrostatic field and that change sign with the handedness of an optically active solute. This recently predicted chiral electro-optic effect exists in the electric-dipole approximation. The static electric field gives rise to an electric-field-induced sum-frequency signal (an achiral third-order process) that interferes with the chirality-specific sum-frequency at second order. The cross-terms linear in the electrostatic field constitute the effect and may be used to determine the absolute sign of second- and third-order nonlinear-optical susceptibilities in isotropic media.

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DOI [BibTex]

2003


DOI [BibTex]


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Chiral and achiral contributions to sum-frequency generation from optically active solutions of binaphthol

Fischer, P., Wise, F., Albrecht, A.

JOURNAL OF PHYSICAL CHEMISTRY A, 107(40):8232-8238, 2003 (article)

Abstract
The nonlinear sum- and difference-frequency generation spectroscopies can be probes of molecular chirality in optically active systems. We present a tensorial analysis of the chirality-specific electric-dipolar sum-frequency-generation susceptibility and the achiral electric-quadrupolar and magnetic-dipolar nonlinearities at second order in isotropic media. The chiral and achiral contributions to the sum-frequency signal from the bulk of optically active solutions of 1,1'-bi-2-naphthol (2,2'-dehydroxy-1,1'-binaphthyl) can be distinguished, and the former dominates. Ab initio computations reveal the dramatic resonance enhancement that the isotropic component of the electric-dipolar three-wave mixing hyperpolarizability experiences. Away from resonance its magnitude rapidly decreases, as-unlike the vector component-it is zero in the static limit. The dispersion of the first hyperpolarizability is computed by a configuration interaction singles sum-over-states approach with explicit regard to the Franck-Condon active vibrational substructure for all resonant electronic states.

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DOI [BibTex]

DOI [BibTex]