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2017


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Methods and measurements to compare men against machines

Wichmann, F. A., Janssen, D. H. J., Geirhos, R., Aguilar, G., Schütt, H. H., Maertens, M., Bethge, M.

Electronic Imaging, pages: 36-45(10), 2017 (article)

ei

DOI [BibTex]

2017


DOI [BibTex]


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Surface tension-driven self-alignment

Mastrangeli, M., Zhou, Q., Sariola, V., Lambert, P.

Soft Matter, 13, pages: 304-327, The Royal Society of Chemistry, 2017 (article)

Abstract
Surface tension-driven self-alignment is a passive and highly-accurate positioning mechanism that can significantly simplify and enhance the construction of advanced microsystems. After years of research{,} demonstrations and developments{,} the surface engineering and manufacturing technology enabling capillary self-alignment has achieved a degree of maturity conducive to a successful transfer to industrial practice. In view of this transition{,} a broad and accessible review of the physics{,} material science and applications of capillary self-alignment is presented. Statics and dynamics of the self-aligning action of deformed liquid bridges are explained through simple models and experiments{,} and all fundamental aspects of surface patterning and conditioning{,} of choice{,} deposition and confinement of liquids{,} and of component feeding and interconnection to substrates are illustrated through relevant applications in micro- and nanotechnology. A final outline addresses remaining challenges and additional extensions envisioned to further spread the use and fully exploit the potential of the technique.

pi

link (url) DOI [BibTex]

link (url) DOI [BibTex]


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Design of a visualization scheme for functional connectivity data of Human Brain

Bramlage, L.

Hochschule Osnabrück - University of Applied Sciences, 2017 (thesis)

sf

Bramlage_BSc_2017.pdf [BibTex]


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A Comparison of Autoregressive Hidden Markov Models for Multimodal Manipulations With Variable Masses

Kroemer, O., Peters, J.

IEEE Robotics and Automation Letters, 2(2):1101-1108, 2017 (article)

ei

DOI [BibTex]

DOI [BibTex]


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Phase Estimation for Fast Action Recognition and Trajectory Generation in Human-Robot Collaboration

Maeda, G., Ewerton, M., Neumann, G., Lioutikov, R., Peters, J.

International Journal of Robotics Research, 36(13-14):1579-1594, 2017, Special Issue on the Seventeenth International Symposium on Robotics Research (article)

ei

DOI Project Page [BibTex]

DOI Project Page [BibTex]


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A Phase-coded Aperture Camera with Programmable Optics

Chen, J., Hirsch, M., Heintzmann, R., Eberhardt, B., Lensch, H. P. A.

Electronic Imaging, 2017(17):70-75, 2017 (article)

ei

DOI [BibTex]

DOI [BibTex]


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Computer Vision for Autonomous Vehicles: Problems, Datasets and State-of-the-Art

Janai, J., Güney, F., Behl, A., Geiger, A.

Arxiv, 2017 (article)

Abstract
Recent years have witnessed amazing progress in AI related fields such as computer vision, machine learning and autonomous vehicles. As with any rapidly growing field, however, it becomes increasingly difficult to stay up-to-date or enter the field as a beginner. While several topic specific survey papers have been written, to date no general survey on problems, datasets and methods in computer vision for autonomous vehicles exists. This paper attempts to narrow this gap by providing a state-of-the-art survey on this topic. Our survey includes both the historically most relevant literature as well as the current state-of-the-art on several specific topics, including recognition, reconstruction, motion estimation, tracking, scene understanding and end-to-end learning. Towards this goal, we first provide a taxonomy to classify each approach and then analyze the performance of the state-of-the-art on several challenging benchmarking datasets including KITTI, ISPRS, MOT and Cityscapes. Besides, we discuss open problems and current research challenges. To ease accessibility and accommodate missing references, we will also provide an interactive platform which allows to navigate topics and methods, and provides additional information and project links for each paper.

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pdf Project Page Project Page [BibTex]


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A Deep Learning Based 6 Degree-of-Freedom Localization Method for Endoscopic Capsule Robots

Turan, M., Almalioglu, Y., Konukoglu, E., Sitti, M.

arXiv preprint arXiv:1705.05435, 2017 (article)

Abstract
We present a robust deep learning based 6 degrees-of-freedom (DoF) localization system for endoscopic capsule robots. Our system mainly focuses on localization of endoscopic capsule robots inside the GI tract using only visual information captured by a mono camera integrated to the robot. The proposed system is a 23-layer deep convolutional neural network (CNN) that is capable to estimate the pose of the robot in real time using a standard CPU. The dataset for the evaluation of the system was recorded inside a surgical human stomach model with realistic surface texture, softness, and surface liquid properties so that the pre-trained CNN architecture can be transferred confidently into a real endoscopic scenario. An average error of 7.1% and 3.4% for translation and rotation has been obtained, respectively. The results accomplished from the experiments demonstrate that a CNN pre-trained with raw 2D endoscopic images performs accurately inside the GI tract and is robust to various challenges posed by reflection distortions, lens imperfections, vignetting, noise, motion blur, low resolution, and lack of unique landmarks to track.

pi

link (url) Project Page [BibTex]


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Efficiency of analytical and sampling-based uncertainty propagation in intensity-modulated proton therapy

Wahl, N., Hennig, P., Wieser, H. P., Bangert, M.

Physics in Medicine & Biology, 62(14):5790-5807, 2017 (article)

Abstract
The sensitivity of intensity-modulated proton therapy (IMPT) treatment plans to uncertainties can be quantified and mitigated with robust/min-max and stochastic/probabilistic treatment analysis and optimization techniques. Those methods usually rely on sparse random, importance, or worst-case sampling. Inevitably, this imposes a trade-off between computational speed and accuracy of the uncertainty propagation. Here, we investigate analytical probabilistic modeling (APM) as an alternative for uncertainty propagation and minimization in IMPT that does not rely on scenario sampling. APM propagates probability distributions over range and setup uncertainties via a Gaussian pencil-beam approximation into moments of the probability distributions over the resulting dose in closed form. It supports arbitrary correlation models and allows for efficient incorporation of fractionation effects regarding random and systematic errors. We evaluate the trade-off between run-time and accuracy of APM uncertainty computations on three patient datasets. Results are compared against reference computations facilitating importance and random sampling. Two approximation techniques to accelerate uncertainty propagation and minimization based on probabilistic treatment plan optimization are presented. Runtimes are measured on CPU and GPU platforms, dosimetric accuracy is quantified in comparison to a sampling-based benchmark (5000 random samples). APM accurately propagates range and setup uncertainties into dose uncertainties at competitive run-times (GPU ##IMG## [http://ej.iop.org/images/0031-9155/62/14/5790/pmbaa6ec5ieqn001.gif] {$\leqslant {5}$} min). The resulting standard deviation (expectation value) of dose show average global ##IMG## [http://ej.iop.org/images/0031-9155/62/14/5790/pmbaa6ec5ieqn002.gif] {$\gamma_{{3}\% / {3}~{\rm mm}}$} pass rates between 94.2% and 99.9% (98.4% and 100.0%). All investigated importance sampling strategies provided less accuracy at higher run-times considering only a single fraction. Considering fractionation, APM uncertainty propagation and treatment plan optimization was proven to be possible at constant time complexity, while run-times of sampling-based computations are linear in the number of fractions. Using sum sampling within APM, uncertainty propagation can only be accelerated at the cost of reduced accuracy in variance calculations. For probabilistic plan optimization, we were able to approximate the necessary pre-computations within seconds, yielding treatment plans of similar quality as gained from exact uncertainty propagation. APM is suited to enhance the trade-off between speed and accuracy in uncertainty propagation and probabilistic treatment plan optimization, especially in the context of fractionation. This brings fully-fledged APM computations within reach of clinical application.

pn

link (url) [BibTex]

link (url) [BibTex]


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Deep EndoVO: A Recurrent Convolutional Neural Network (RCNN) based Visual Odometry Approach for Endoscopic Capsule Robots

Turan, M., Almalioglu, Y., Araujo, H., Konukoglu, E., Sitti, M.

ArXiv e-prints, 2017 (article)

Abstract
Ingestible wireless capsule endoscopy is an emerging minimally invasive diagnostic technology for inspection of the GI tract and diagnosis of a wide range of diseases and pathologies. Medical device companies and many research groups have recently made substantial progresses in converting passive capsule endoscopes to active capsule robots, enabling more accurate, precise, and intuitive detection of the location and size of the diseased areas. Since a reliable real time pose estimation functionality is crucial for actively controlled endoscopic capsule robots, in this study, we propose a monocular visual odometry (VO) method for endoscopic capsule robot operations. Our method lies on the application of the deep Recurrent Convolutional Neural Networks (RCNNs) for the visual odometry task, where Convolutional Neural Networks (CNNs) and Recurrent Neural Networks (RNNs) are used for the feature extraction and inference of dynamics across the frames, respectively. Detailed analyses and evaluations made on a real pig stomach dataset proves that our system achieves high translational and rotational accuracies for different types of endoscopic capsule robot trajectories.

pi

link (url) Project Page [BibTex]


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Analytical probabilistic modeling of RBE-weighted dose for ion therapy

Wieser, H., Hennig, P., Wahl, N., Bangert, M.

Physics in Medicine and Biology (PMB), 62(23):8959-8982, 2017 (article)

pn

link (url) [BibTex]

link (url) [BibTex]


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On Maximum Entropy and Inference

Gresele, L., Marsili, M.

Entropy, 19(12):article no. 642, 2017 (article)

ei

link (url) [BibTex]

link (url) [BibTex]


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Towards Engagement Models that Consider Individual Factors in HRI: On the Relation of Extroversion and Negative Attitude Towards Robots to Gaze and Speech During a Human-Robot Assembly Task

Ivaldi, S., Lefort, S., Peters, J., Chetouani, M., Provasi, J., Zibetti, E.

International Journal of Social Robotics, 9(1):63-86, 2017 (article)

ei

DOI [BibTex]

DOI [BibTex]


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Non-parametric Policy Search with Limited Information Loss

van Hoof, H., Neumann, G., Peters, J.

Journal of Machine Learning Research , 18(73):1-46, 2017 (article)

ei

link (url) Project Page [BibTex]

link (url) Project Page [BibTex]


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Stability of Controllers for Gaussian Process Dynamics

Vinogradska, J., Bischoff, B., Nguyen-Tuong, D., Peters, J.

Journal of Machine Learning Research, 18(100):1-37, 2017 (article)

ei

link (url) Project Page [BibTex]

link (url) Project Page [BibTex]


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SUV-quantification of physiological lung tissue in an integrated PET/MR-system: Impact of lung density and bone tissue

Seith, F., Schmidt, H., Gatidis, S., Bezrukov, I., Schraml, C., Pfannenberg, C., la Fougère, C., Nikolaou, K., Schwenzer, N.

PLOS ONE, 12(5):1-13, 2017 (article)

ei

DOI [BibTex]

DOI [BibTex]


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Corrosion-protected hybrid nanoparticles

Jeong, H., Alarcón-Correa, M., Mark, A. G., Son, K., Lee, T., Fischer, P.

{Advanced Science}, 4(12), Wiley-VCH, Weinheim, 2017 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Investigation of the Dzyaloshinskii-Moriya interaction and room temperature skyrmions in W/CoFeB/MgO thin films and microwires

Jaiswal, S., Litzius, K., Lemesh, I., Büttner, F., Finizio, S., Raabe, J., Weigand, M., Lee, K., Langer, J., Ocker, B., Jakob, G., Beach, G. S. D., Kläui, M.

{Applied Physics Letters}, 111(2), American Institute of Physics, Melville, NY, 2017 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Ultrafast demagnetization after femtosecond laser pulses: Transfer of angular momentum from the electronic system to magnetoelastic spin-phonon modes

Fähnle, M., Tsatsoulis, T., Illg, C., Haag, M., Müller, B. Y., Zhang, L.

{Journal of Superconductivity and Novel Magnetism}, 30(5):1381-1387, Springer Science + Business Media B.V., New York, 2017 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Magnetic behavior of single chain magnets in metal organic frameworks CPO-27-Co

Son, K., Goering, E., Hirscher, M., Oh, H.

{Journal of Nanoscience and Nanotechnology}, 17(10):7541-7546, American Scientific Publishers, Stevenson Ranch, Calif., 2017 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Switching by domain-wall automotion in asymmetric ferromagnetic rings

Mawass, M., Richter, K., Bisig, A., Reeve, R. M., Krüger, B., Weigand, M., Stoll, H., Krone, A., Kronast, F., Schütz, G., Kläui, M.

{Physical Review Applied}, 7(4), American Physical Society, College Park, Md. [u.a.], 2017 (article)

mms

DOI [BibTex]

DOI [BibTex]


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A neutral atom moving in an external magnetic field does not feel a Lorentz force

Fähnle, M.

{American Journal of Modern Physics}, 6(6):153-155, Science Publishing Group, New York, NY, 2017 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Temperature-dependent first-order reversal curve measurements on unusually hard magnetic low-temperature phase of MnBi

Muralidhar, S., Gräfe, J., Chen, Y., Etter, M., Gregori, G., Ener, S., Sawatzki, S., Hono, K., Gutfleisch, O., Kronmüller, H., Schütz, G., Goering, E. J.

{Physical Review B}, 95(2), American Physical Society, Woodbury, NY, 2017 (article)

mms

DOI Project Page [BibTex]

DOI Project Page [BibTex]


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Smooth and rapid microwave synthesis of MIL-53(Fe) including superparamagnetic \textlessgamma\textgreater-Fe2O3 nanoparticles

Wengert, S., Albrecht, J., Ruoß, S., Stahl, C., Schütz, G., Schäfer, R.

{Journal of Magnetism and Magnetic Materials}, 444, pages: 168-172, NH, Elsevier, Amsterdam, 2017 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Characterization and differentiation of rock varnish types from different environments by microanalytical techniques

Macholdt, D. S., Jochum, K. P., Pöhlker, C., Arangio, A., Förster, J., Stoll, B., Weis, U., Weber, B., Müller, M., Kappl, M., Shiraiwa, M., Kilcoyne, A. L. D., Weigand, M., Scholz, D., Haug, G. H., Al-Amri, A., Andreae, M. O.

{Chemical Geology}, 459, pages: 91-118, Elsevier, Amsterdam, 2017 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Skyrmion Hall effect revealed by direct time-resolved X-ray microscopy

Litzius, K., Lemesh, I., Krüger, B., Bassirian, P., Caretta, L., Richter, K., Büttner, F., Sato, K., Tretiakov, O. A., Förster, J., Reeve, R. M., Weigand, M., Bykova, I., Stoll, H., Schütz, G., Beach, G. S. D., Kläui, M.

{Nature Physics}, 13(2):170-175, Nature Pub. Group, London, 2017 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Comment on magnonic black holes

Fähnle, M., Schütz, G.

{Journal of Magnetism and Magnetic Materials}, 444, pages: 146-146, NH, Elsevier, Amsterdam, 2017 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Cr-Substitution in Ba2In2O5 \mbox⋅ (H2O)x (x \textequals 0.16, 0.74)

Yoon, S., Son, K., Hagemann, H., Widenmeyer, M., Weidenkaff, A.

{Solid State Sciences}, 73, pages: 1-6, Elsevier Masson SAS, Paris, 2017 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Exploiting diffusion barrier and chemical affinity of metal-organic frameworks for efficient hydrogen isotope separation

Kim, J. Y., Balderas-Xicohténcatl, R., Zhang, L., Kang, S. G., Hirscher, M., Oh, H., Moon, H. R.

{Journal of the American Chemical Society}, 139(42):15135-15141, American Chemical Society, Washington, DC, 2017 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Facile fabrication of mesoporous silica micro-jets with multi-functionalities

Vilela, D., Hortelao, A. C., Balderas-Xicohténcatl, R., Hirscher, M., Hahn, K., Ma, X., Sánchez, S.

{Nanoscale}, 9(37):13990-13997, Royal Society of Chemistry, Cambridge, UK, 2017 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Comment on half-integer quantum numbers for the total angular momentum of photons in light beams with finite lateral extensions

Fähnle, M.

{American Journal of Modern Physics}, 6(5):88-90, Science Publishing Group, New York, NY, 2017 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Selective hydrogen isotope separation via breathing transition in MIL-53(Al)

Kim, J. Y., Zhang, L., Balderas-Xicohténcatl, R., Park, J., Hirscher, M., Moon, H. R., Oh, H.

{Journal of the American Chemical Society}, 139(49):17743-17746, American Chemical Society, Washington, DC, 2017 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Advanced magneto-optical Kerr effect measurements of superconductors at low temperatures

Stahl, C., Gräfe, J., Ruoß, S., Zahn, P., Bayer, J., Simmendinger, J., Schütz, G., Albrecht, J.

{AIP Advances}, 7(10), 2017 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Efficient synthesis for large-scale production and characterization for hydrogen storage of ligand exchanged MOF-74/174/184-M (M\textequalsMg2+, Ni2+)

Oh, H., Maurer, S., Balderas-Xicohténcatl, R., Arnold, L., Magdysyuk, O. V., Schütz, G., Müller, U., Hirscher, M.

{International Journal of Hydrogen Energy}, 42(2):1027-1035, Elsevier, Amsterdam, 2017 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Unifying ultrafast demagnetization and intrinsic Gilbert damping in Co/Ni bilayers with electronic relaxation near the Fermi surface

Zhang, W., He, W., Zhang, X.-Q., Cheng, Z.-H., Teng, J., Fähnle, M.

{Physical Review B}, 96(22), American Physical Society, Woodbury, NY, 2017 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Influence of the skin barrier on the penetration of topically-applied dexamethasone probed by soft X-ray spectromicroscopy

Yamamoto, K., Klossek, A., Flesch, R., Rancan, F., Weigand, M., Bykova, I., Bechtel, M., Ahlberg, S., Vogt, A., Blume-Peytavi, U., Schrade, P., Bachmann, S., Hedtrich, S., Schäfer-Korting, M., Rühl, E.

{European Journal of Pharmaceutics and Biopharmaceutics}, 118, pages: 30-37, Elsevier, Amsterdam, 2017 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Capture of heavy hydrogen isotopes in a metal-organic framework with active Cu(I) sites

Weinrauch, I., Savchenko, I., Denysenko, D., Souliou, S. M., Kim, H., Le Tacon, M., Daemen, L. L., Cheng, Y., Mavrandonakis, A., Ramirez-Cuesta, A. J., Volkmer, D., Schütz, G., Hirscher, M., Heine, T.

{Nature Communications}, 8, Nature Publishing Group, London, 2017 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Multiscale simulations of topological transformations in magnetic-skyrmion spin structures

De Lucia, A., Litzius, K., Krüger, B., Tretiakov, O. A., Kläui, M.

{Physical Review B}, 96(2), American Physical Society, Woodbury, NY, 2017 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Unexpectedly marginal effect of electronic correlations on ultrafast demagnetization after femtosecond laser-pulse excitation

Weng, W., Huang, Haonan, Briones Paz, J. Z., Teeny, N., Müller, B. Y., Haag, M., Kuhn, T., Fähnle, M.

{Physical Review B}, 95(22), American Physical Society, Woodbury, NY, 2017 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Black manganese-rich crusts on a Gothic cathedral

Macholdt, D. S., Herrmann, S., Jochum, K. P., Kilcoyne, A. L. D., Laubscher, T., Pfisterer, H. K., Pöhlker, C., Schwager, B., Weber, B., Weigand, M., Domke, K. F., Andreae, M. O.

{Atmospheric Environment}, 171, pages: 205-220, Elsevier, Amsterdam [u.a.], 2017 (article)

mms

DOI [BibTex]

DOI [BibTex]

1998


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SVMs — a practical consequence of learning theory

Schölkopf, B.

IEEE Intelligent Systems and their Applications, 13(4):18-21, July 1998 (article)

Abstract
My first exposure to Support Vector Machines came this spring when heard Sue Dumais present impressive results on text categorization using this analysis technique. This issue's collection of essays should help familiarize our readers with this interesting new racehorse in the Machine Learning stable. Bernhard Scholkopf, in an introductory overview, points out that a particular advantage of SVMs over other learning algorithms is that it can be analyzed theoretically using concepts from computational learning theory, and at the same time can achieve good performance when applied to real problems. Examples of these real-world applications are provided by Sue Dumais, who describes the aforementioned text-categorization problem, yielding the best results to date on the Reuters collection, and Edgar Osuna, who presents strong results on application to face detection. Our fourth author, John Platt, gives us a practical guide and a new technique for implementing the algorithm efficiently.

ei

PDF Web DOI [BibTex]

1998


PDF Web DOI [BibTex]


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Learning view graphs for robot navigation

Franz, M., Schölkopf, B., Mallot, H., Bülthoff, H.

Autonomous Robots, 5(1):111-125, March 1998 (article)

Abstract
We present a purely vision-based scheme for learning a topological representation of an open environment. The system represents selected places by local views of the surrounding scene, and finds traversable paths between them. The set of recorded views and their connections are combined into a graph model of the environment. To navigate between views connected in the graph, we employ a homing strategy inspired by findings of insect ethology. In robot experiments, we demonstrate that complex visual exploration and navigation tasks can thus be performed without using metric information.

ei

PDF PDF DOI [BibTex]

PDF PDF DOI [BibTex]


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Surface second-order nonlinear optical activity

Fischer, P., Buckingham, A.

JOURNAL OF THE OPTICAL SOCIETY OF AMERICA B-OPTICAL PHYSICS, 15(12):2951-2957, 1998 (article)

Abstract
Following the recent observation of a large second-harmonic intensity difference from a monolayer of chiral molecules with left and right circularly polarized light, the scattering theory is generalized and extended to predict linear and circular intensity differences for the more Versatile sum-frequency spectroscopy. Estimates indicate that intensity differences should be detectable for a typical experimental arrangement. The second-order nonlinear surface susceptibility tensor is given for different surface point groups in the electric dipole approximation; it is shown that nonlinear optical activity phenomena unambiguously probe molecular chirality only for molecular monolayers that are symmetric about the normal. Other surface symmetries can give rise to intensity differences from monolayers composed of achiral molecules. A water surface is predicted to show Linear and nonlinear optical activity in the presence of an electric field parallel to the surface. (C) 1998 Optical Society of America {[}S0740-3224(98)01311-3] OCIS codes: 190.0190, 190.4350, 240.6490.

pf

DOI [BibTex]

DOI [BibTex]


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Linear electro-optic effect in optically active liquids

Buckingham, A., Fischer, P.

CHEMICAL PHYSICS LETTERS, 297(3-4):239-246, 1998 (article)

Abstract
A linear effect of an electrostatic field F on the intensity of sum- and difference-frequency generation in a chiral liquid is predicted. It arises in the electric dipole approximation. The effect changes sign with the enantiomer and on reversing the direction of the electrostatic field. The sum-frequency generator chi(alpha beta gamma)((2)) (-omega(3);omega(1),omega(2)), where omega(3) = omega(1) + omega(2), and the electric field-induced sum-frequency generator chi(alpha beta gamma delta)((3))(-omega(3);omega(1),omega(2),0)F-delta interfere and their contributions to the scattering power can be distinguished. Encouraging predictions are given for a typical experimental arrangement. (C) 1998 Elsevier Science B.V. All rights reserved.

pf

DOI [BibTex]

DOI [BibTex]


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Monolayers of hexadecyltrimethylammonium p-tosylate at the air-water interface. 1. Sum-frequency spectroscopy

Bell, G., Li, Z., Bain, C., Fischer, P., Duffy, D.

JOURNAL OF PHYSICAL CHEMISTRY B, 102(47):9461-9472, 1998 (article)

Abstract
Sum-frequency vibrational spectroscopy has been used to determine the structure of monolayers of the cationic surfactant, hexadecyltrimethylammonium p-tosylate (C(16)TA(+)Ts(-)), at the surface of water. Selective deuteration of the cation or the anion allowed the separate detection of sum-frequency spectra of the surfactant and of counterions that are bound to the monolayer. The p-tosylate ions an oriented with their methyl groups pointing away from the aqueous subphase and with the C-2 axis tilted, on average, by 30-40 degrees from the surface normal. The vibrational spectra of C(16)TA(+) indicate that the number of gauche defects in the monolayer does not change dramatically when bromide counterions are replaced by p-tosylate. The ends of the hydrocarbon chains of C16TA+ are, however, tilted much further from the surface normal in the presence of p-tosylate than in the presence of bromide. A quantitative analysis of the sum-frequency spectra requires a knowledge of the molecular hyperpolarizability tensor: the role of ab initio calculations and Raman spectroscopy in determining the components of this tensor is discussed.

pf

DOI [BibTex]

DOI [BibTex]


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Ultraviolet resonance Raman study of drug binding in dihydrofolate reductase, gyrase, and catechol O-methyltransferase

Couling, V., Fischer, P., Klenerman, D., Huber, W.

BIOPHYSICAL JOURNAL, 75(2):1097-1106, 1998 (article)

Abstract
This paper presents a study of the use of ultraviolet resonance Raman (UVRR) spectroscopic methods as a means of elucidating aspects of drug-protein interactions. Some of the RR vibrational bands of the aromatic amino acids tyrosine and tryptophan are sensitive to the microenvironment, and the use of UV excitation radiation allows selective enhancement of the spectral features of the aromatic amino acids, enabling observation specifically of their change in microenvironment upon drug binding. The three drug-protein systems investigated in this study are dihydrofolate reductase with its inhibitor trimethoprim, gyrase with novobiocin, and catechol O-methyltransferase with dinitrocatechol. It is demonstrated that UVRR spectroscopy has adequate sensitivity to be a useful means of detecting drug-protein interactions in those systems for which the electronic absorption of the aromatic amino acids changes because of hydrogen bonding and/or possible dipole-dipole and dipole-polarizability interactions with the ligand.

pf

DOI [BibTex]

DOI [BibTex]


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Tele-nanorobotics using an atomic force microscope as a nanorobot and sensor

Sitti, M., Hashimoto, H.

Advanced Robotics, 13(4):417-436, Taylor & Francis, 1998 (article)

pi

[BibTex]

[BibTex]


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Constructive incremental learning from only local information

Schaal, S., Atkeson, C. G.

Neural Computation, 10(8):2047-2084, 1998, clmc (article)

Abstract
We introduce a constructive, incremental learning system for regression problems that models data by means of spatially localized linear models. In contrast to other approaches, the size and shape of the receptive field of each locally linear model as well as the parameters of the locally linear model itself are learned independently, i.e., without the need for competition or any other kind of communication. Independent learning is accomplished by incrementally minimizing a weighted local cross validation error. As a result, we obtain a learning system that can allocate resources as needed while dealing with the bias-variance dilemma in a principled way. The spatial localization of the linear models increases robustness towards negative interference. Our learning system can be interpreted as a nonparametric adaptive bandwidth smoother, as a mixture of experts where the experts are trained in isolation, and as a learning system which profits from combining independent expert knowledge on the same problem. This paper illustrates the potential learning capabilities of purely local learning and offers an interesting and powerful approach to learning with receptive fields. 

am

link (url) [BibTex]

link (url) [BibTex]