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2019


AirCap -- Aerial Outdoor Motion Capture
AirCap – Aerial Outdoor Motion Capture

Ahmad, A., Price, E., Tallamraju, R., Saini, N., Lawless, G., Ludwig, R., Martinovic, I., Bülthoff, H. H., Black, M. J.

IEEE/RSJ International Conference on Intelligent Robots and Systems (IROS 2019), Workshop on Aerial Swarms, November 2019 (misc)

Abstract
This paper presents an overview of the Grassroots project Aerial Outdoor Motion Capture (AirCap) running at the Max Planck Institute for Intelligent Systems. AirCap's goal is to achieve markerless, unconstrained, human motion capture (mocap) in unknown and unstructured outdoor environments. To that end, we have developed an autonomous flying motion capture system using a team of aerial vehicles (MAVs) with only on-board, monocular RGB cameras. We have conducted several real robot experiments involving up to 3 aerial vehicles autonomously tracking and following a person in several challenging scenarios using our approach of active cooperative perception developed in AirCap. Using the images captured by these robots during the experiments, we have demonstrated a successful offline body pose and shape estimation with sufficiently high accuracy. Overall, we have demonstrated the first fully autonomous flying motion capture system involving multiple robots for outdoor scenarios.

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Talk slides Project Page Project Page [BibTex]

2019


Talk slides Project Page Project Page [BibTex]


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Interactive Augmented Reality for Robot-Assisted Surgery

Forte, M. P., Kuchenbecker, K. J.

Workshop extended abstract presented as a podium presentation at the IROS Workshop on Legacy Disruptors in Applied Telerobotics, Macau, November 2019 (misc) Accepted

hi

Project Page [BibTex]

Project Page [BibTex]


Method for providing a three dimensional body model
Method for providing a three dimensional body model

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

September 2019, U.S.~Patent 10,417,818 (misc)

Abstract
A method for providing a three-dimensional body model which may be applied for an animation, based on a moving body, wherein the method comprises providing a parametric three-dimensional body model, which allows shape and pose variations; applying a standard set of body markers; optimizing the set of body markers by generating an additional set of body markers and applying the same for providing 3D coordinate marker signals for capturing shape and pose of the body and dynamics of soft tissue; and automatically providing an animation by processing the 3D coordinate marker signals in order to provide a personalized three-dimensional body model, based on estimated shape and an estimated pose of the body by means of predicted marker locations.

ps

MoSh Project pdf [BibTex]


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High-Fidelity Multiphysics Finite Element Modeling of Finger-Surface Interactions with Tactile Feedback

Serhat, G., Kuchenbecker, K. J.

Work-in-progress paper (2 pages) presented at the IEEE World Haptics Conference (WHC), Tokyo, Japan, July 2019 (misc)

Abstract
In this study, we develop a high-fidelity finite element (FE) analysis framework that enables multiphysics simulation of the human finger in contact with a surface that is providing tactile feedback. We aim to elucidate a variety of physical interactions that can occur at finger-surface interfaces, including contact, friction, vibration, and electrovibration. We also develop novel FE-based methods that will allow prediction of nonconventional features such as real finger-surface contact area and finger stickiness. We envision using the developed computational tools for efficient design and optimization of haptic devices by replacing expensive and lengthy experimental procedures with high-fidelity simulation.

hi

[BibTex]

[BibTex]


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Fingertip Friction Enhances Perception of Normal Force Changes

Gueorguiev, D., Lambert, J., Thonnard, J., Kuchenbecker, K. J.

Work-in-progress paper (2 pages) presented at the IEEE World Haptics Conference (WHC), Tokyo, Japan, July 2019 (misc)

Abstract
Using a force-controlled robotic platform, we tested the human perception of positive and negative modulations in normal force during passive dynamic touch, which also induced a strong related change in the finger-surface lateral force. In a two-alternative forced-choice task, eleven participants had to detect brief variations in the normal force compared to a constant controlled pre-stimulation force of 1 N and report whether it had increased or decreased. The average 75% just noticeable difference (JND) was found to be around 0.25 N for detecting the peak change and 0.30 N for correctly reporting the increase or the decrease. Interestingly, the friction coefficient of a subject’s fingertip positively correlated with his or her performance at detecting the change and reporting its direction, which suggests that humans may use the lateral force as a sensory cue to perceive variations in the normal force.

hi

[BibTex]

[BibTex]


Inflatable Haptic Sensor for the Torso of a Hugging Robot
Inflatable Haptic Sensor for the Torso of a Hugging Robot

Block, A. E., Kuchenbecker, K. J.

Work-in-progress paper (2 pages) presented at the IEEE World Haptics Conference (WHC), Tokyo, Japan, July 2019 (misc)

Abstract
During hugs, humans naturally provide and intuit subtle non-verbal cues that signify the strength and duration of an exchanged hug. Personal preferences for this close interaction may vary greatly between people; robots do not currently have the abilities to perceive or understand these preferences. This work-in-progress paper discusses designing, building, and testing a novel inflatable torso that can simultaneously soften a robot and act as a tactile sensor to enable more natural and responsive hugging. Using PVC vinyl, a microphone, and a barometric pressure sensor, we created a small test chamber to demonstrate a proof of concept for the full torso. While contacting the chamber in several ways common in hugs (pat, squeeze, scratch, and rub), we recorded data from the two sensors. The preliminary results suggest that the complementary haptic sensing channels allow us to detect coarse and fine contacts typically experienced during hugs, regardless of user hand placement.

hi

Project Page [BibTex]

Project Page [BibTex]


Understanding the Pull-off Force of the Human Fingerpad
Understanding the Pull-off Force of the Human Fingerpad

Nam, S., Kuchenbecker, K. J.

Work-in-progress paper (2 pages) presented at the IEEE World Haptics Conference (WHC), Tokyo, Japan, July 2019 (misc)

Abstract
To understand the adhesive force that occurs when a finger pulls off of a smooth surface, we built an apparatus to measure the fingerpad’s moisture, normal force, and real contact area over time during interactions with a glass plate. We recorded a total of 450 trials (45 interactions by each of ten human subjects), capturing a wide range of values across the aforementioned variables. The experimental results showed that the pull-off force increases with larger finger contact area and faster detachment rate. Additionally, moisture generally increases the contact area of the finger, but too much moisture can restrict the increase in the pull-off force.

hi

[BibTex]

[BibTex]


The Haptician and the Alphamonsters
The Haptician and the Alphamonsters

Forte, M. P., L’Orsa, R., Mohan, M., Nam, S., Kuchenbecker, K. J.

Student Innovation Challenge on Implementing Haptics in Virtual Reality Environment presented at the IEEE World Haptics Conference, Tokyo, Japan, July 2019, Maria Paola Forte, Rachael L'Orsa, Mayumi Mohan, and Saekwang Nam contributed equally to this publication (misc)

Abstract
Dysgraphia is a neurological disorder characterized by writing disabilities that affects between 7% and 15% of children. It presents itself in the form of unfinished letters, letter distortion, inconsistent letter size, letter collision, etc. Traditional therapeutic exercises require continuous assistance from teachers or occupational therapists. Autonomous partial or full haptic guidance can produce positive results, but children often become bored with the repetitive nature of such activities. Conversely, virtual rehabilitation with video games represents a new frontier for occupational therapy due to its highly motivational nature. Virtual reality (VR) adds an element of novelty and entertainment to therapy, thus motivating players to perform exercises more regularly. We propose leveraging the HTC VIVE Pro and the EXOS Wrist DK2 to create an immersive spellcasting “exergame” (exercise game) that helps motivate children with dysgraphia to improve writing fluency.

hi

Student Innovation Challenge – Virtual Reality [BibTex]

Student Innovation Challenge – Virtual Reality [BibTex]


Explorations of Shape-Changing Haptic Interfaces for Blind and Sighted Pedestrian Navigation
Explorations of Shape-Changing Haptic Interfaces for Blind and Sighted Pedestrian Navigation

Spiers, A., Kuchenbecker, K. J.

pages: 6, Workshop paper (6 pages) presented at the CHI 2019 Workshop on Hacking Blind Navigation, May 2019 (misc) Accepted

Abstract
Since the 1960s, technologists have worked to develop systems that facilitate independent navigation by vision-impaired (VI) pedestrians. These devices vary in terms of conveyed information and feedback modality. Unfortunately, many such prototypes never progress beyond laboratory testing. Conversely, smartphone-based navigation systems for sighted pedestrians have grown in robustness and capabilities, to the point of now being ubiquitous. How can we leverage the success of sighted navigation technology, which is driven by a larger global market, as a way to progress VI navigation systems? We believe one possibility is to make common devices that benefit both VI and sighted individuals, by providing information in a way that does not distract either user from their tasks or environment. To this end we have developed physical interfaces that eschew visual, audio or vibratory feedback, instead relying on the natural human ability to perceive the shape of a handheld object.

hi

[BibTex]

[BibTex]


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Bimanual Wrist-Squeezing Haptic Feedback Changes Speed-Force Tradeoff in Robotic Surgery Training

Cao, E., Machaca, S., Bernard, T., Wolfinger, B., Patterson, Z., Chi, A., Adrales, G. L., Kuchenbecker, K. J., Brown, J. D.

Extended abstract presented as an ePoster at the Annual Meeting of the Society of American Gastrointestinal and Endoscopic Surgeons (SAGES), Baltimore, USA, April 2019 (misc) Accepted

hi

[BibTex]

[BibTex]


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Interactive Augmented Reality for Robot-Assisted Surgery

Forte, M. P., Kuchenbecker, K. J.

Extended abstract presented as an Emerging Technology ePoster at the Annual Meeting of the Society of American Gastrointestinal and Endoscopic Surgeons (SAGES), Baltimore, Maryland, USA, April 2019 (misc) Accepted

hi

Project Page [BibTex]

Project Page [BibTex]


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A Design Tool for Therapeutic Social-Physical Human-Robot Interactions

Mohan, M., Kuchenbecker, K. J.

Workshop paper (3 pages) presented at the HRI Pioneers Workshop, Daegu, South Korea, March 2019 (misc) Accepted

Abstract
We live in an aging society; social-physical human-robot interaction has the potential to keep our elderly adults healthy by motivating them to exercise. After summarizing prior work, this paper proposes a tool that can be used to design exercise and therapy interactions to be performed by an upper-body humanoid robot. The interaction design tool comprises a teleoperation system that transmits the operator’s arm motions, head motions and facial expression along with an interface to monitor and assess the motion of the user interacting with the robot. We plan to use this platform to create dynamic and intuitive exercise interactions.

hi

Project Page [BibTex]

Project Page [BibTex]


Perceiving Systems (2016-2018)
Perceiving Systems (2016-2018)
Scientific Advisory Board Report, 2019 (misc)

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pdf [BibTex]

pdf [BibTex]


Toward Expert-Sourcing of a Haptic Device Repository
Toward Expert-Sourcing of a Haptic Device Repository

Seifi, H., Ip, J., Agrawal, A., Kuchenbecker, K. J., MacLean, K. E.

Glasgow, UK, 2019 (misc)

Abstract
Haptipedia is an online taxonomy, database, and visualization that aims to accelerate ideation of new haptic devices and interactions in human-computer interaction, virtual reality, haptics, and robotics. The current version of Haptipedia (105 devices) was created through iterative design, data entry, and evaluation by our team of experts. Next, we aim to greatly increase the number of devices and keep Haptipedia updated by soliciting data entry and verification from haptics experts worldwide.

hi

link (url) [BibTex]

link (url) [BibTex]


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A special issue on hydrogen-based Energy storage

Hirscher, M.

{International Journal of Hydrogen Energy}, 44, pages: 7737, Elsevier, Amsterdam, 2019 (misc)

mms

DOI [BibTex]

DOI [BibTex]


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Nanoscale X-ray imaging of spin dynamics in Yttrium iron garnet

Förster, J., Wintz, S., Bailey, J., Finizio, S., Josten, E., Meertens, D., Dubs, C., Bozhko, D. A., Stoll, H., Dieterle, G., Traeger, N., Raabe, J., Slavin, A. N., Weigand, M., Gräfe, J., Schütz, G.

2019 (misc)

mms

link (url) [BibTex]

link (url) [BibTex]


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Reconfigurable nanoscale spin wave majority gate with frequency-division multiplexing

Talmelli, G., Devolder, T., Träger, N., Förster, J., Wintz, S., Weigand, M., Stoll, H., Heyns, M., Schütz, G., Radu, I., Gräfe, J., Ciubotaru, F., Adelmann, C.

2019 (misc)

Abstract
Spin waves are excitations in ferromagnetic media that have been proposed as information carriers in spintronic devices with potentially much lower operation power than conventional charge-based electronics. The wave nature of spin waves can be exploited to design majority gates by coding information in their phase and using interference for computation. However, a scalable spin wave majority gate design that can be co-integrated alongside conventional Si-based electronics is still lacking. Here, we demonstrate a reconfigurable nanoscale inline spin wave majority gate with ultrasmall footprint, frequency-division multiplexing, and fan-out. Time-resolved imaging of the magnetisation dynamics by scanning transmission x-ray microscopy reveals the operation mode of the device and validates the full logic majority truth table. All-electrical spin wave spectroscopy further demonstrates spin wave majority gates with sub-micron dimensions, sub-micron spin wave wavelengths, and reconfigurable input and output ports. We also show that interference-based computation allows for frequency-division multiplexing as well as the computation of different logic functions in the same device. Such devices can thus form the foundation of a future spin-wave-based superscalar vector computing platform.

mms

link (url) [BibTex]

link (url) [BibTex]


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Hydrogen Energy

Hirscher, M., Autrey, T., Orimo, S.

{ChemPhysChem}, 20, pages: 1153-1411, Wiley-VCH, Weinheim, Germany, 2019 (misc)

mms

link (url) DOI [BibTex]

link (url) DOI [BibTex]


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Real-space imaging of confined magnetic skyrmion tubes

Birch, M. T., Cortés-Ortuño, D., Turnbull, L. A., Wilson, M. N., Groß, F., Träger, N., Laurenson, A., Bukin, N., Moody, S. H., Weigand, M., Schütz, G., Popescu, H., Fan, R., Steadman, P., Verezhak, J. A. T., Balakrishnan, G., Loudon, J. C., Twitchett-Harrison, A. C., Hovorka, O., Fangohr, H., Ogrin, F., Gräfe, J., Hatton, P. D.

2019 (misc)

mms

link (url) [BibTex]

link (url) [BibTex]

2011


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Projected Newton-type methods in machine learning

Schmidt, M., Kim, D., Sra, S.

In Optimization for Machine Learning, pages: 305-330, (Editors: Sra, S., Nowozin, S. and Wright, S. J.), MIT Press, Cambridge, MA, USA, December 2011 (inbook)

Abstract
We consider projected Newton-type methods for solving large-scale optimization problems arising in machine learning and related fields. We first introduce an algorithmic framework for projected Newton-type methods by reviewing a canonical projected (quasi-)Newton method. This method, while conceptually pleasing, has a high computation cost per iteration. Thus, we discuss two variants that are more scalable, namely, two-metric projection and inexact projection methods. Finally, we show how to apply the Newton-type framework to handle non-smooth objectives. Examples are provided throughout the chapter to illustrate machine learning applications of our framework.

ei

PDF Web [BibTex]

2011


PDF Web [BibTex]


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Statistical Learning Theory: Models, Concepts, and Results

von Luxburg, U., Schölkopf, B.

In Handbook of the History of Logic, Vol. 10: Inductive Logic, 10, pages: 651-706, (Editors: Gabbay, D. M., Hartmann, S. and Woods, J. H.), Elsevier North Holland, Amsterdam, Netherlands, May 2011 (inbook)

Abstract
Statistical learning theory provides the theoretical basis for many of today's machine learning algorithms and is arguably one of the most beautifully developed branches of artificial intelligence in general. It originated in Russia in the 1960s and gained wide popularity in the 1990s following the development of the so-called Support Vector Machine (SVM), which has become a standard tool for pattern recognition in a variety of domains ranging from computer vision to computational biology. Providing the basis of new learning algorithms, however, was not the only motivation for developing statistical learning theory. It was just as much a philosophical one, attempting to answer the question of what it is that allows us to draw valid conclusions from empirical data. In this article we attempt to give a gentle, non-technical overview over the key ideas and insights of statistical learning theory. We do not assume that the reader has a deep background in mathematics, statistics, or computer science. Given the nature of the subject matter, however, some familiarity with mathematical concepts and notations and some intuitive understanding of basic probability is required. There exist many excellent references to more technical surveys of the mathematics of statistical learning theory: the monographs by one of the founders of statistical learning theory ([Vapnik, 1995], [Vapnik, 1998]), a brief overview over statistical learning theory in Section 5 of [Sch{\"o}lkopf and Smola, 2002], more technical overview papers such as [Bousquet et al., 2003], [Mendelson, 2003], [Boucheron et al., 2005], [Herbrich and Williamson, 2002], and the monograph [Devroye et al., 1996].

ei

PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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Robot Learning

Peters, J., Tedrake, R., Roy, N., Morimoto, J.

In Encyclopedia of Machine Learning, pages: 865-869, Encyclopedia of machine learning, (Editors: Sammut, C. and Webb, G. I.), Springer, New York, NY, USA, January 2011 (inbook)

ei

PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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What You Expect Is What You Get? Potential Use of Contingent Negative Variation for Passive BCI Systems in Gaze-Based HCI

Ihme, K., Zander, TO.

In Affective Computing and Intelligent Interaction, 6975, pages: 447-456, Lecture Notes in Computer Science, (Editors: D’Mello, S., Graesser, A., Schuller, B. and Martin, J.-C.), Springer, Berlin, Germany, 2011 (inbook)

Abstract
When using eye movements for cursor control in human-computer interaction (HCI), it may be difficult to find an appropriate substitute for the click operation. Most approaches make use of dwell times. However, in this context the so-called Midas-Touch-Problem occurs which means that the system wrongly interprets fixations due to long processing times or spontaneous dwellings of the user as command. Lately it has been shown that brain-computer interface (BCI) input bears good prospects to overcome this problem using imagined hand movements to elicit a selection. The current approach tries to develop this idea further by exploring potential signals for the use in a passive BCI, which would have the advantage that the brain signals used as input are generated automatically without conscious effort of the user. To explore event-related potentials (ERPs) giving information about the user’s intention to select an object, 32-channel electroencephalography (EEG) was recorded from ten participants interacting with a dwell-time-based system. Comparing ERP signals during the dwell time with those occurring during fixations on a neutral cross hair, a sustained negative slow cortical potential at central electrode sites was revealed. This negativity might be a contingent negative variation (CNV) reflecting the participants’ anticipation of the upcoming selection. Offline classification suggests that the CNV is detectable in single trial (mean accuracy 74.9 %). In future, research on the CNV should be accomplished to ensure its stable occurence in human-computer interaction and render possible its use as a potential substitue for the click operation.

ei

DOI [BibTex]

DOI [BibTex]


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Kernel Methods in Bioinformatics

Borgwardt, KM.

In Handbook of Statistical Bioinformatics, pages: 317-334, Springer Handbooks of Computational Statistics ; 3, (Editors: Lu, H.H.-S., Schölkopf, B. and Zhao, H.), Springer, Berlin, Germany, 2011 (inbook)

Abstract
Kernel methods have now witnessed more than a decade of increasing popularity in the bioinformatics community. In this article, we will compactly review this development, examining the areas in which kernel methods have contributed to computational biology and describing the reasons for their success.

ei

PDF DOI [BibTex]

PDF DOI [BibTex]


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Cue Combination: Beyond Optimality

Rosas, P., Wichmann, F.

In Sensory Cue Integration, pages: 144-152, (Editors: Trommershäuser, J., Körding, K. and Landy, M. S.), Oxford University Press, 2011 (inbook)

ei

[BibTex]

[BibTex]


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Automated Control of AFM Based Nanomanipulation

Xie, H., Onal, C., Régnier, S., Sitti, M.

In Atomic Force Microscopy Based Nanorobotics, pages: 237-311, Springer Berlin Heidelberg, 2011 (incollection)

pi

[BibTex]

[BibTex]


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Teleoperation Based AFM Manipulation Control

Xie, H., Onal, C., Régnier, S., Sitti, M.

In Atomic Force Microscopy Based Nanorobotics, pages: 145-235, Springer Berlin Heidelberg, 2011 (incollection)

pi

[BibTex]

[BibTex]


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Descriptions and challenges of AFM based nanorobotic systems

Xie, H., Onal, C., Régnier, S., Sitti, M.

In Atomic Force Microscopy Based Nanorobotics, pages: 13-29, Springer Berlin Heidelberg, 2011 (incollection)

pi

[BibTex]

[BibTex]


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Tipping the Scales: Guidance and Intrinsically Motivated Behavior

Martius, G., Herrmann, J. M.

In Advances in Artificial Life, ECAL 2011, pages: 506-513, (Editors: Tom Lenaerts and Mario Giacobini and Hugues Bersini and Paul Bourgine and Marco Dorigo and René Doursat), MIT Press, 2011 (incollection)

al

[BibTex]

[BibTex]


Benchmark datasets for pose estimation and tracking
Benchmark datasets for pose estimation and tracking

Andriluka, M., Sigal, L., Black, M. J.

In Visual Analysis of Humans: Looking at People, pages: 253-274, (Editors: Moesland and Hilton and Kr"uger and Sigal), Springer-Verlag, London, 2011 (incollection)

ps

publisher's site Project Page [BibTex]

publisher's site Project Page [BibTex]


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Applications of AFM Based Nanorobotic Systems

Xie, H., Onal, C., Régnier, S., Sitti, M.

In Atomic Force Microscopy Based Nanorobotics, pages: 313-342, Springer Berlin Heidelberg, 2011 (incollection)

pi

[BibTex]

[BibTex]


Steerable random fields for image restoration and inpainting
Steerable random fields for image restoration and inpainting

Roth, S., Black, M. J.

In Markov Random Fields for Vision and Image Processing, pages: 377-387, (Editors: Blake, A. and Kohli, P. and Rother, C.), MIT Press, 2011 (incollection)

Abstract
This chapter introduces the concept of a Steerable Random Field (SRF). In contrast to traditional Markov random field (MRF) models in low-level vision, the random field potentials of a SRF are defined in terms of filter responses that are steered to the local image structure. This steering uses the structure tensor to obtain derivative responses that are either aligned with, or orthogonal to, the predominant local image structure. Analysis of the statistics of these steered filter responses in natural images leads to the model proposed here. Clique potentials are defined over steered filter responses using a Gaussian scale mixture model and are learned from training data. The SRF model connects random fields with anisotropic regularization and provides a statistical motivation for the latter. Steering the random field to the local image structure improves image denoising and inpainting performance compared with traditional pairwise MRFs.

ps

publisher site [BibTex]

publisher site [BibTex]


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Nanomechanics of AFM based nanomanipulation

Xie, H., Onal, C., Régnier, S., Sitti, M.

In Atomic Force Microscopy Based Nanorobotics, pages: 87-143, Springer Berlin Heidelberg, 2011 (incollection)

pi

[BibTex]

[BibTex]


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Instrumentation Issues of an AFM Based Nanorobotic System

Xie, H., Onal, C., Régnier, S., Sitti, M.

In Atomic Force Microscopy Based Nanorobotics, pages: 31-86, Springer Berlin Heidelberg, 2011 (incollection)

pi

[BibTex]

[BibTex]


no image
Projected Newton-type methods in machine learning

Schmidt, M., Kim, D., Sra, S.

In Optimization for Machine Learning, pages: 305-330, MIT Press, Cambridge, MA, USA, 2011 (incollection)

Abstract
{We consider projected Newton-type methods for solving large-scale optimization problems arising in machine learning and related fields. We first introduce an algorithmic framework for projected Newton-type methods by reviewing a canonical projected (quasi-)Newton method. This method, while conceptually pleasing, has a high computation cost per iteration. Thus, we discuss two variants that are more scalable, namely, two-metric projection and inexact projection methods. Finally, we show how to apply the Newton-type framework to handle non-smooth objectives. Examples are provided throughout the chapter to illustrate machine learning applications of our framework.}

mms

link (url) [BibTex]

link (url) [BibTex]

2008


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New Frontiers in Characterizing Structure and Dynamics by NMR

Nilges, M., Markwick, P., Malliavin, TE., Rieping, W., Habeck, M.

In Computational Structural Biology: Methods and Applications, pages: 655-680, (Editors: Schwede, T. , M. C. Peitsch), World Scientific, New Jersey, NJ, USA, May 2008 (inbook)

Abstract
Nuclear Magnetic Resonance (NMR) spectroscopy has emerged as the method of choice for studying both the structure and the dynamics of biological macromolecule in solution. Despite the maturity of the NMR method for structure determination, its application faces a number of challenges. The method is limited to systems of relatively small molecular mass, data collection times are long, data analysis remains a lengthy procedure, and it is difficult to evaluate the quality of the final structures. The last years have seen significant advances in experimental techniques to overcome or reduce some limitations. The function of bio-macromolecules is determined by both their 3D structure and conformational dynamics. These molecules are inherently flexible systems displaying a broad range of dynamics on time–scales from picoseconds to seconds. NMR is unique in its ability to obtain dynamic information on an atomic scale. The experimental information on structure and dynamics is intricately mixed. It is however difficult to unite both structural and dynamical information into one consistent model, and protocols for the determination of structure and dynamics are performed independently. This chapter deals with the challenges posed by the interpretation of NMR data on structure and dynamics. We will first relate the standard structure calculation methods to Bayesian probability theory. We will then briefly describe the advantages of a fully Bayesian treatment of structure calculation. Then, we will illustrate the advantages of using Bayesian reasoning at least partly in standard structure calculations. The final part will be devoted to interpretation of experimental data on dynamics.

ei

Web [BibTex]

2008


Web [BibTex]


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A Robot System for Biomimetic Navigation: From Snapshots to Metric Embeddings of View Graphs

Franz, MO., Stürzl, W., Reichardt, W., Mallot, HA.

In Robotics and Cognitive Approaches to Spatial Mapping, pages: 297-314, Springer Tracts in Advanced Robotics ; 38, (Editors: Jefferies, M.E. , W.-K. Yeap), Springer, Berlin, Germany, 2008 (inbook)

Abstract
Complex navigation behaviour (way-finding) involves recognizing several places and encoding a spatial relationship between them. Way-finding skills can be classified into a hierarchy according to the complexity of the tasks that can be performed [8]. The most basic form of way-finding is route navigation, followed by topological navigation where several routes are integrated into a graph-like representation. The highest level, survey navigation, is reached when this graph can be embedded into a common reference frame. In this chapter, we present the building blocks for a biomimetic robot navigation system that encompasses all levels of this hierarchy. As a local navigation method, we use scene-based homing. In this scheme, a goal location is characterized either by a panoramic snapshot of the light intensities as seen from the place, or by a record of the distances to the surrounding objects. The goal is found by moving in the direction that minimizes the discrepancy between the recorded intensities or distances and the current sensory input. For learning routes, the robot selects distinct views during exploration that are close enough to be reached by snapshot-based homing. When it encounters already visited places during route learning, it connects the routes and thus forms a topological representation of its environment termed a view graph. The final stage, survey navigation, is achieved by a graph embedding procedure which complements the topologic information of the view graph with odometric position estimates. Calculation of the graph embedding is done with a modified multidimensional scaling algorithm which makes use of distances and angles between nodes.

ei

PDF PDF DOI [BibTex]

PDF PDF DOI [BibTex]


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Hydrogen adsorption (Carbon, Zeolites, Nanocubes)

Hirscher, M., Panella, B.

In Hydrogen as a Future Energy Carrier, pages: 173-188, Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, 2008 (incollection)

mms

[BibTex]

[BibTex]


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Ma\ssgeschneiderte Speichermaterialien

Hirscher, M.

In Von Brennstoffzellen bis Leuchtdioden (Energie und Chemie - Ein Bündnis für die Zukunft), pages: 31-33, Deutsche Bunsen-Gesellschaft für Physikalische Chemie e.V., Frankfurt am Main, 2008 (incollection)

mms

[BibTex]

[BibTex]

2006


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Prediction of Protein Function from Networks

Shin, H., Tsuda, K.

In Semi-Supervised Learning, pages: 361-376, Adaptive Computation and Machine Learning, (Editors: Chapelle, O. , B. Schölkopf, A. Zien), MIT Press, Cambridge, MA, USA, November 2006 (inbook)

Abstract
In computational biology, it is common to represent domain knowledge using graphs. Frequently there exist multiple graphs for the same set of nodes, representing information from different sources, and no single graph is sufficient to predict class labels of unlabelled nodes reliably. One way to enhance reliability is to integrate multiple graphs, since individual graphs are partly independent and partly complementary to each other for prediction. In this chapter, we describe an algorithm to assign weights to multiple graphs within graph-based semi-supervised learning. Both predicting class labels and searching for weights for combining multiple graphs are formulated into one convex optimization problem. The graph-combining method is applied to functional class prediction of yeast proteins.When compared with individual graphs, the combined graph with optimized weights performs significantly better than any single graph.When compared with the semidefinite programming-based support vector machine (SDP/SVM), it shows comparable accuracy in a remarkably short time. Compared with a combined graph with equal-valued weights, our method could select important graphs without loss of accuracy, which implies the desirable property of integration with selectivity.

ei

Web [BibTex]

2006


Web [BibTex]


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Discrete Regularization

Zhou, D., Schölkopf, B.

In Semi-supervised Learning, pages: 237-250, Adaptive computation and machine learning, (Editors: O Chapelle and B Schölkopf and A Zien), MIT Press, Cambridge, MA, USA, November 2006 (inbook)

Abstract
Many real-world machine learning problems are situated on finite discrete sets, including dimensionality reduction, clustering, and transductive inference. A variety of approaches for learning from finite sets has been proposed from different motivations and for different problems. In most of those approaches, a finite set is modeled as a graph, in which the edges encode pairwise relationships among the objects in the set. Consequently many concepts and methods from graph theory are adopted. In particular, the graph Laplacian is widely used. In this chapter we present a systemic framework for learning from a finite set represented as a graph. We develop discrete analogues of a number of differential operators, and then construct a discrete analogue of classical regularization theory based on those discrete differential operators. The graph Laplacian based approaches are special cases of this general discrete regularization framework. An important thing implied in this framework is that we have a wide choices of regularization on graph in addition to the widely-used graph Laplacian based one.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Combining a Filter Method with SVMs

Lal, T., Chapelle, O., Schölkopf, B.

In Feature Extraction: Foundations and Applications, Studies in Fuzziness and Soft Computing, Vol. 207, pages: 439-446, Studies in Fuzziness and Soft Computing ; 207, (Editors: I Guyon and M Nikravesh and S Gunn and LA Zadeh), Springer, Berlin, Germany, 2006 (inbook)

Abstract
Our goal for the competition (feature selection competition NIPS 2003) was to evaluate the usefulness of simple machine learning techniques. We decided to use the correlation criteria as a feature selection method and Support Vector Machines for the classification part. Here we explain how we chose the regularization parameter C of the SVM, how we determined the kernel parameter and how we estimated the number of features used for each data set. All analyzes were carried out on the training sets of the competition data. We choose the data set Arcene as an example to explain the approach step by step. In our view the point of this competition was the construction of a well performing classifier rather than the systematic analysis of a specific approach. This is why our search for the best classifier was only guided by the described methods and that we deviated from the road map at several occasions. All calculations were done with the software Spider [2004].

ei

PDF DOI [BibTex]

PDF DOI [BibTex]


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Embedded methods

Lal, T., Chapelle, O., Weston, J., Elisseeff, A.

In Feature Extraction: Foundations and Applications, pages: 137-165, Studies in Fuzziness and Soft Computing ; 207, (Editors: Guyon, I. , S. Gunn, M. Nikravesh, L. A. Zadeh), Springer, Berlin, Germany, 2006 (inbook)

Abstract
Embedded methods are a relatively new approach to feature selection. Unlike filter methods, which do not incorporate learning, and wrapper approaches, which can be used with arbitrary classifiers, in embedded methods the features selection part can not be separated from the learning part. Existing embedded methods are reviewed based on a unifying mathematical framework.

ei

PDF Web [BibTex]

PDF Web [BibTex]


NONLINEAR OPTICAL PROPERTIES OF CHIRAL LIQUIDS Electric-dipolar pseudoscalars in nonlinear optics
NONLINEAR OPTICAL PROPERTIES OF CHIRAL LIQUIDS Electric-dipolar pseudoscalars in nonlinear optics

Fischer, P., Champagne, B.

In NON-LINEAR OPTICAL PROPERTIES OF MATTER: FROM MOLECULES TO CONDENSED PHASES, 1, pages: 359-381, Challenges and Advances in Computational Chemistry and Physics, 2006 (incollection)

Abstract
We give all overview of linear and nonlinear optical processes that can be specific to chiral molecules in isotropic media. Specifically, we discuss the pseudoscalars that underlie nonlinear optical activity and chiral frequency conversion processes in fluids. We show that nonlinear optical techniques open entirely new ways of exploring chirality: Sum-frequency-generation (SFG) at second-order and BioCARS at fourth-order arise in the electric-dipole approximation and do not require circularly polarized light to detect chiral molecules in solution. Here the frequency conversion in itself is a measure of chirality. This is in contrast to natural optical activity phenomena which are based on the interference of radiation from induced oscillating electric and magnetic dipoles, and which are observed as a differential response to right and left circularly polarized light. We give examples from our SFG experiments in optically active solutions and show how the application of an additional static electric field to sum-frequency generation allows the absolute configuration of the chiral solute to be determined via all electric-dipolar process. Results from ab initio calculations of the SFG pseudoscalar are presented for a number of chiral molecules

pf

[BibTex]

[BibTex]


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Approximate nearest neighbor regression in very high dimensions

Vijayakumar, S., DSouza, A., Schaal, S.

In Nearest-Neighbor Methods in Learning and Vision, pages: 103-142, (Editors: Shakhnarovich, G.;Darrell, T.;Indyk, P.), Cambridge, MA: MIT Press, 2006, clmc (inbook)

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link (url) [BibTex]

link (url) [BibTex]