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2020


Characterization of active matter in dense suspensions with heterodyne laser Doppler velocimetry
Characterization of active matter in dense suspensions with heterodyne laser Doppler velocimetry

Sachs, J., Kottapalli, S. N., Fischer, P., Botin, D., Palberg, T.

Colloid and Polymer Science, August 2020 (article)

Abstract
We present a novel approach for characterizing the properties and performance of active matter in dilute suspension as well as in crowded environments. We use Super-Heterodyne Laser-Doppler-Velocimetry (SH-LDV) to study large ensembles of catalytically active Janus particles moving under UV illumination. SH-LDV facilitates a model-free determination of the swimming speed and direction, with excellent ensemble averaging. In addition, we obtain information on the distribution of the catalytic activity. Moreover, SH-LDV operates away from walls and permits a facile correction for multiple scattering contributions. It thus allows for studies of concentrated suspensions of swimmers or of systems where swimmers propel actively in an environment crowded by passive particles. We demonstrate the versatility and the scope of the method with a few selected examples. We anticipate that SH-LDV complements established methods and paves the way for systematic measurements at previously inaccessible boundary conditions.

pf

link (url) DOI [BibTex]

2020


link (url) DOI [BibTex]


Learning Variable Impedance Control for Contact Sensitive Tasks
Learning Variable Impedance Control for Contact Sensitive Tasks

Bogdanovic, M., Khadiv, M., Righetti, L.

IEEE Robotics and Automation Letters ( Early Access ), IEEE, July 2020 (article)

Abstract
Reinforcement learning algorithms have shown great success in solving different problems ranging from playing video games to robotics. However, they struggle to solve delicate robotic problems, especially those involving contact interactions. Though in principle a policy outputting joint torques should be able to learn these tasks, in practice we see that they have difficulty to robustly solve the problem without any structure in the action space. In this paper, we investigate how the choice of action space can give robust performance in presence of contact uncertainties. We propose to learn a policy that outputs impedance and desired position in joint space as a function of system states without imposing any other structure to the problem. We compare the performance of this approach to torque and position control policies under different contact uncertainties. Extensive simulation results on two different systems, a hopper (floating-base) with intermittent contacts and a manipulator (fixed-base) wiping a table, show that our proposed approach outperforms policies outputting torque or position in terms of both learning rate and robustness to environment uncertainty.

mg

DOI [BibTex]

DOI [BibTex]


Walking Control Based on Step Timing Adaptation
Walking Control Based on Step Timing Adaptation

Khadiv, M., Herzog, A., Moosavian, S. A. A., Righetti, L.

IEEE Transactions on Robotics, 36, pages: 629 - 643, IEEE, June 2020 (article)

Abstract
Step adjustment can improve the gait robustness of biped robots; however, the adaptation of step timing is often neglected as it gives rise to nonconvex problems when optimized over several footsteps. In this article, we argue that it is not necessary to optimize walking over several steps to ensure gait viability and show that it is sufficient to merely select the next step timing and location. Using this insight, we propose a novel walking pattern generator that optimally selects step location and timing at every control cycle. Our approach is computationally simple compared to standard approaches in the literature, yet guarantees that any viable state will remain viable in the future. We propose a swing foot adaptation strategy and integrate the pattern generator with an inverse dynamics controller that does not explicitly control the center of mass nor the foot center of pressure. This is particularly useful for biped robots with limited control authority over their foot center of pressure, such as robots with point feet or passive ankles. Extensive simulations on a humanoid robot with passive ankles demonstrate the capabilities of the approach in various walking situations, including external pushes and foot slippage, and emphasize the importance of step timing adaptation to stabilize walking.

mg

link (url) DOI [BibTex]

link (url) DOI [BibTex]


Biocompatible magnetic micro‐ and nanodevices: Fabrication of FePt nanopropellers and cell transfection
Biocompatible magnetic micro‐ and nanodevices: Fabrication of FePt nanopropellers and cell transfection

Kadiri, V. M., Bussi, C., Holle, A. W., Son, K., Kwon, H., Schütz, G., Gutierrez, M. G., Fischer, P.

Adv. Mat., 32(2001114), May 2020 (article)

Abstract
The application of nanoparticles for drug or gene delivery promises benefits in the form of single‐cell‐specific therapeutic and diagnostic capabilities. Many methods of cell transfection rely on unspecific means to increase the transport of genetic material into cells. Targeted transport is in principle possible with magnetically propelled micromotors, which allow responsive nanoscale actuation and delivery. However, many commonly used magnetic materials (e.g., Ni and Co) are not biocompatible, possess weak magnetic remanence (Fe3O4), or cannot be implemented in nanofabrication schemes (NdFeB). Here, it is demonstrated that co‐depositing iron (Fe) and platinum (Pt) followed by one single annealing step, without the need for solution processing, yields ferromagnetic FePt nanomotors that are noncytotoxic, biocompatible, and possess a remanence and magnetization that rival those of permanent NdFeB micromagnets. Active cell targeting and magnetic transfection of lung carcinoma cells are demonstrated using gradient‐free rotating millitesla fields to drive the FePt nanopropellers. The carcinoma cells express enhanced green fluorescent protein after internalization and cell viability is unaffected by the presence of the FePt nanopropellers. The results establish FePt, prepared in the L10 phase, as a promising magnetic material for biomedical applications with superior magnetic performance, especially for micro‐ and nanodevices.

pf mms

link (url) DOI [BibTex]


Interface-mediated spontaneous symmetry breaking and mutual communication between drops containing chemically active particles
Interface-mediated spontaneous symmetry breaking and mutual communication between drops containing chemically active particles

Singh, D., Domínguez, A., Choudhury, U., Kottapalli, S., Popescu, M., Dietrich, S., Fischer, P.

Nature Communications, 11(2210), May 2020 (article)

Abstract
Symmetry breaking and the emergence of self-organized patterns is the hallmark of com- plexity. Here, we demonstrate that a sessile drop, containing titania powder particles with negligible self-propulsion, exhibits a transition to collective motion leading to self-organized flow patterns. This phenomenology emerges through a novel mechanism involving the interplay between the chemical activity of the photocatalytic particles, which induces Mar- angoni stresses at the liquid–liquid interface, and the geometrical confinement provided by the drop. The response of the interface to the chemical activity of the particles is the source of a significantly amplified hydrodynamic flow within the drop, which moves the particles. Furthermore, in ensembles of such active drops long-ranged ordering of the flow patterns within the drops is observed. We show that the ordering is dictated by a chemical com- munication between drops, i.e., an alignment of the flow patterns is induced by the gradients of the chemicals emanating from the active particles, rather than by hydrodynamic interactions.

pf icm

link (url) DOI [BibTex]


Spectrally selective and highly-sensitive UV photodetection with UV-A, C band specific polarity switching in silver plasmonic nanoparticle enhanced gallium oxide thin-film
Spectrally selective and highly-sensitive UV photodetection with UV-A, C band specific polarity switching in silver plasmonic nanoparticle enhanced gallium oxide thin-film

Arora, K., Singh, D., Fischer, P., Kumar, M.

Adv. Opt. Mat., March 2020 (article)

Abstract
Traditional photodetectors generally show a unipolar photocurrent response when illuminated with light of wavelength equal or shorter than the optical bandgap. Here, we report that a thin film of gallium oxide (GO) decorated with plasmonic nanoparticles, surprisingly, exhibits a change in the polarity of the photocurrent for different UV bands. Silver (Ag) nanoparticles are vacuum-deposited onto β-Ga2O3 and the AgNP@GO thin films show a record responsivity of 250 A/W, which significantly outperforms bare GO planar photodetectors. The photoresponsivity reverses sign from +157 µA/W in the UV-C band under unbiased operation to -353 µA/W in the UV-A band. The current reversal is rationalized by considering the charge dynamics stemming from hot electrons generated when the incident light excites a local surface plasmon resonance (LSPR) in the Ag nanoparticles. The Ag nanoparticles improve the external quantum efficiency and detectivity by nearly one order of magnitude with high values of 1.2×105 and 3.4×1014 Jones, respectively. This plasmon-enhanced solar blind GO detector allows UV regions to be spectrally distinguished, which is useful for the development of sensitive dynamic imaging photodetectors.

pf

link (url) DOI [BibTex]


Investigating photoresponsivity of graphene-silver hybrid nanomaterials in the ultraviolet
Investigating photoresponsivity of graphene-silver hybrid nanomaterials in the ultraviolet

Deshpande, P., Suri, P., Jeong, H., Fischer, P., Ghosh, A., Ghosh, G.

J. Chem. Phys., 152, pages: 044709, January 2020 (article)

Abstract
There have been several reports of plasmonically enhanced graphene photodetectors in the visible and the near infrared regime but rarely in the ultraviolet. In a previous work, we have reported that a graphene-silver hybrid structure shows a high photoresponsivity of 13 A/W at 270 nm. Here, we consider the likely mechanisms that underlie this strong photoresponse. We investigate the role of the plasmonic layer and examine the response using silver and gold nanoparticles of similar dimensions and spatial arrangement. The effect on local doping, strain, and absorption properties of the hybrid is also probed by photocurrent measurements and Raman and UV-visible spectroscopy. We find that the local doping from the silver nanoparticles is stronger than that from gold and correlates with a measured photosensitivity that is larger in devices with a higher contact area between the plasmonic nanomaterials and the graphene layer.

pf

link (url) DOI [BibTex]

link (url) DOI [BibTex]


A High-Fidelity Phantom for the Simulation and Quantitative Evaluation of Transurethral Resection of the Prostate
A High-Fidelity Phantom for the Simulation and Quantitative Evaluation of Transurethral Resection of the Prostate

Choi, E., Adams, F., Gengenbacher, A., Schlager, D., Palagi, S., Müller, P., Wetterauer, U., Miernik, A., Fischer, P., Qiu, T.

Annals of Biomed. Eng., 48, pages: 437-446, January 2020 (article)

Abstract
Transurethral resection of the prostate (TURP) is a minimally invasive endoscopic procedure that requires experience and skill of the surgeon. To permit surgical training under realistic conditions we report a novel phantom of the human prostate that can be resected with TURP. The phantom mirrors the anatomy and haptic properties of the gland and permits quantitative evaluation of important surgical performance indicators. Mixtures of soft materials are engineered to mimic the physical properties of the human tissue, including the mechanical strength, the electrical and thermal conductivity, and the appearance under an endoscope. Electrocautery resection of the phantom closely resembles the procedure on human tissue. Ultrasound contrast agent was applied to the central zone, which was not detectable by the surgeon during the surgery but showed high contrast when imaged after the surgery, to serve as a label for the quantitative evaluation of the surgery. Quantitative criteria for performance assessment are established and evaluated by automated image analysis. We present the workflow of a surgical simulation on a prostate phantom followed by quantitative evaluation of the surgical performance. Surgery on the phantom is useful for medical training, and enables the development and testing of endoscopic and minimally invasive surgical instruments.

pf

link (url) DOI [BibTex]

link (url) DOI [BibTex]


Interactive Materials – Drivers of Future Robotic Systems
Interactive Materials – Drivers of Future Robotic Systems

Fischer, P.

Adv. Mat., January 2020 (article)

Abstract
A robot senses its environment, processes the sensory information, acts in response to these inputs, and possibly communicates with the outside world. Robots generally achieve these tasks with electronics-based hardware or by receiving inputs from some external hardware. In contrast, simple microorganisms can autonomously perceive, act, and communicate via purely physicochemical processes in soft material systems. A key property of biological systems is that they are built from energy-consuming ‘active’ units. Exciting developments in material science show that even very simple artificial active building blocks can show surprisingly rich emergent behaviors. Active non-equilibrium systems are therefore predicted to play an essential role to realize interactive materials. A major challenge is to find robust ways to couple and integrate the energy-consuming building blocks to the mechanical structure of the material. However, success in this endeavor will lead to a new generation of sophisticated micro- and soft-robotic systems that can operate autonomously.

pf

link (url) DOI [BibTex]


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Analytical classical density functionals from an equation learning network

Lin, S., Martius, G., Oettel, M.

The Journal of Chemical Physics, 152(2):021102, 2020, arXiv preprint \url{https://arxiv.org/abs/1910.12752} (article)

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Preprint_PDF DOI [BibTex]

Preprint_PDF DOI [BibTex]


Combining learned and analytical models for predicting action effects from sensory data
Combining learned and analytical models for predicting action effects from sensory data

Kloss, A., Schaal, S., Bohg, J.

International Journal of Robotics Research, 2020 (article) Accepted

Abstract
One of the most basic skills a robot should possess is predicting the effect of physical interactions with objects in the environment. This enables optimal action selection to reach a certain goal state. Traditionally, dynamics are approximated by physics-based analytical models. These models rely on specific state representations that may be hard to obtain from raw sensory data, especially if no knowledge of the object shape is assumed. More recently, we have seen learning approaches that can predict the effect of complex physical interactions directly from sensory input. It is however an open question how far these models generalize beyond their training data. In this work, we investigate the advantages and limitations of neural network based learning approaches for predicting the effects of actions based on sensory input and show how analytical and learned models can be combined to leverage the best of both worlds. As physical interaction task, we use planar pushing, for which there exists a well-known analytical model and a large real-world dataset. We propose to use a convolutional neural network to convert raw depth images or organized point clouds into a suitable representation for the analytical model and compare this approach to using neural networks for both, perception and prediction. A systematic evaluation of the proposed approach on a very large real-world dataset shows two main advantages of the hybrid architecture. Compared to a pure neural network, it significantly (i) reduces required training data and (ii) improves generalization to novel physical interaction.

am

arXiv pdf link (url) [BibTex]


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Visual-Inertial Mapping with Non-Linear Factor Recovery

Usenko, V., Demmel, N., Schubert, D., Stückler, J., Cremers, D.

IEEE Robotics and Automation Letters (RA-L), 5, 2020, accepted for presentation at IEEE International Conference on Robotics and Automation (ICRA) 2020, to appear, arXiv:1904.06504 (article)

Abstract
Cameras and inertial measurement units are complementary sensors for ego-motion estimation and environment mapping. Their combination makes visual-inertial odometry (VIO) systems more accurate and robust. For globally consistent mapping, however, combining visual and inertial information is not straightforward. To estimate the motion and geometry with a set of images large baselines are required. Because of that, most systems operate on keyframes that have large time intervals between each other. Inertial data on the other hand quickly degrades with the duration of the intervals and after several seconds of integration, it typically contains only little useful information. In this paper, we propose to extract relevant information for visual-inertial mapping from visual-inertial odometry using non-linear factor recovery. We reconstruct a set of non-linear factors that make an optimal approximation of the information on the trajectory accumulated by VIO. To obtain a globally consistent map we combine these factors with loop-closing constraints using bundle adjustment. The VIO factors make the roll and pitch angles of the global map observable, and improve the robustness and the accuracy of the mapping. In experiments on a public benchmark, we demonstrate superior performance of our method over the state-of-the-art approaches.

ev

[BibTex]

[BibTex]


Safe and Fast Tracking on a Robot Manipulator: Robust MPC and Neural Network Control
Safe and Fast Tracking on a Robot Manipulator: Robust MPC and Neural Network Control

Nubert, J., Koehler, J., Berenz, V., Allgower, F., Trimpe, S.

IEEE Robotics and Automation Letters, 2020 (article) Accepted

Abstract
Fast feedback control and safety guarantees are essential in modern robotics. We present an approach that achieves both by combining novel robust model predictive control (MPC) with function approximation via (deep) neural networks (NNs). The result is a new approach for complex tasks with nonlinear, uncertain, and constrained dynamics as are common in robotics. Specifically, we leverage recent results in MPC research to propose a new robust setpoint tracking MPC algorithm, which achieves reliable and safe tracking of a dynamic setpoint while guaranteeing stability and constraint satisfaction. The presented robust MPC scheme constitutes a one-layer approach that unifies the often separated planning and control layers, by directly computing the control command based on a reference and possibly obstacle positions. As a separate contribution, we show how the computation time of the MPC can be drastically reduced by approximating the MPC law with a NN controller. The NN is trained and validated from offline samples of the MPC, yielding statistical guarantees, and used in lieu thereof at run time. Our experiments on a state-of-the-art robot manipulator are the first to show that both the proposed robust and approximate MPC schemes scale to real-world robotic systems.

am ics

arXiv PDF DOI [BibTex]

arXiv PDF DOI [BibTex]

2001


Isotropic second-order nonlinear optical susceptibilities
Isotropic second-order nonlinear optical susceptibilities

Fischer, P., Buckingham, A., Albrecht, A.

PHYSICAL REVIEW A, 64(5), 2001 (article)

Abstract
The second-order nonlinear optical susceptibility, in the electric dipole approximation, is only nonvanishing for materials that are noncentrosymmetric. Should the medium be isotropic, then only a chiral system. such as an optically active liquid, satisfies this symmetry requirement. We derive the quantum-mechanical form of the isotropic component of the sum- and difference-frequency susceptibility and discuss its unusual spectral properties. We show that any coherent second-order nonlinear optical process in a system of randomly oriented molecules requires the medium to be chiral. and the incident frequencies to be different and nonzero. Furthermore, a minimum of two nondegenerate excited molecular states are needed for the isotropic part of the susceptibility to be nonvanishing. The rotationally invariant susceptibility is zero in the static field limit and shows exceptionally sensitive resonance and dephasing effects that are particular to chiral centers.

pf

DOI [BibTex]

2001


DOI [BibTex]


Reply to ``Comment on `Phenomenological damping in optical response tensors'{''}
Reply to “Comment on ‘Phenomenological damping in optical response tensors’”

Buckingham, A., Fischer, P.

PHYSICAL REVIEW A, 63(4), 2001 (article)

Abstract
We show that damping factors must not be incorporated in the perturbation of the ground state by a static electric field. If they are included, as in the theory of Stedman et al. {[}preceding Comment. Phys. Rev. A 63, 047801 (2001)], then there would be an electric dipole in the y direction induced in a hydrogen atom in the M-s = + 1/2 state by a static electric field in the x direction. Such a dipole is excluded by symmetry.

pf

DOI [BibTex]


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Synchronized robot drumming by neural oscillator

Kotosaka, S., Schaal, S.

Journal of the Robotics Society of Japan, 19(1):116-123, 2001, clmc (article)

Abstract
Sensory-motor integration is one of the key issues in robotics. In this paper, we propose an approach to rhythmic arm movement control that is synchronized with an external signal based on exploiting a simple neural oscillator network. Trajectory generation by the neural oscillator is a biologically inspired method that can allow us to generate a smooth and continuous trajectory. The parameter tuning of the oscillators is used to generate a synchronized movement with wide intervals. We adopted the method for the drumming task as an example task. By using this method, the robot can realize synchronized drumming with wide drumming intervals in real time. The paper also shows the experimental results of drumming by a humanoid robot.

am

[BibTex]

[BibTex]


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Origins and violations of the 2/3 power law in rhythmic 3D movements

Schaal, S., Sternad, D.

Experimental Brain Research, 136, pages: 60-72, 2001, clmc (article)

Abstract
The 2/3 power law, the nonlinear relationship between tangential velocity and radius of curvature of the endeffector trajectory, has been suggested as a fundamental constraint of the central nervous system in the formation of rhythmic endpoint trajectories. However, studies on the 2/3 power law have largely been confined to planar drawing patterns of relatively small size. With the hypothesis that this strategy overlooks nonlinear effects that are constitutive in movement generation, the present experiments tested the validity of the power law in elliptical patterns which were not confined to a planar surface and which were performed by the unconstrained 7-DOF arm with significant variations in pattern size and workspace orientation. Data were recorded from five human subjects where the seven joint angles and the endpoint trajectories were analyzed. Additionally, an anthropomorphic 7-DOF robot arm served as a "control subject" whose endpoint trajectories were generated on the basis of the human joint angle data, modeled as simple harmonic oscillations. Analyses of the endpoint trajectories demonstrate that the power law is systematically violated with increasing pattern size, in both exponent and the goodness of fit. The origins of these violations can be explained analytically based on smooth rhythmic trajectory formation and the kinematic structure of the human arm. We conclude that in unconstrained rhythmic movements, the power law seems to be a by-product of a movement system that favors smooth trajectories, and that it is unlikely to serve as a primary movement generating principle. Our data rather suggests that subjects employed smooth oscillatory pattern generators in joint space to realize the required movement patterns.

am

link (url) [BibTex]

link (url) [BibTex]


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Graph-matching vs. entropy-based methods for object detection
Neural Networks, 14(3):345-354, 2001, clmc (article)

Abstract
Labeled Graph Matching (LGM) has been shown successful in numerous ob-ject vision tasks. This method is the basis for arguably the best face recognition system in the world. We present an algorithm for visual pattern recognition that is an extension of LGM ("LGM+"). We compare the performance of LGM and LGM+ algorithms with a state of the art statistical method based on Mutual Information Maximization (MIM). We present an adaptation of the MIM method for multi-dimensional Gabor wavelet features. The three pattern recognition methods were evaluated on an object detection task, using a set of stimuli on which none of the methods had been tested previously. The results indicate that while the performance of the MIM method operating upon Gabor wavelets is superior to the same method operating on pixels and to LGM, it is surpassed by LGM+. LGM+ offers a significant improvement in performance over LGM without losing LGMâ??s virtues of simplicity, biological plausibility, and a computational cost that is 2-3 orders of magnitude lower than that of the MIM algorithm. 

am

link (url) [BibTex]

link (url) [BibTex]


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Biomimetic gaze stabilization based on feedback-error learning with nonparametric regression networks

Shibata, T., Schaal, S.

Neural Networks, 14(2):201-216, 2001, clmc (article)

Abstract
Oculomotor control in a humanoid robot faces similar problems as biological oculomotor systems, i.e. the stabilization of gaze in face of unknown perturbations of the body, selective attention, stereo vision, and dealing with large information processing delays. Given the nonlinearities of the geometry of binocular vision as well as the possible nonlinearities of the oculomotor plant, it is desirable to accomplish accurate control of these behaviors through learning approaches. This paper develops a learning control system for the phylogenetically oldest behaviors of oculomotor control, the stabilization reflexes of gaze. In a step-wise procedure, we demonstrate how control theoretic reasonable choices of control components result in an oculomotor control system that resembles the known functional anatomy of the primate oculomotor system. The core of the learning system is derived from the biologically inspired principle of feedback-error learning combined with a state-of-the-art non-parametric statistical learning network. With this circuitry, we demonstrate that our humanoid robot is able to acquire high performance visual stabilization reflexes after about 40 s of learning despite significant nonlinearities and processing delays in the system.

am

link (url) [BibTex]


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Fast learning of biomimetic oculomotor control with nonparametric regression networks (in Japanese)

Shibata, T., Schaal, S.

Journal of the Robotics Society of Japan, 19(4):468-479, 2001, clmc (article)

am

[BibTex]

[BibTex]


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Bouncing a ball: Tuning into dynamic stability

Sternad, D., Duarte, M., Katsumata, H., Schaal, S.

Journal of Experimental Psychology: Human Perception and Performance, 27(5):1163-1184, 2001, clmc (article)

Abstract
Rhythmically bouncing a ball with a racket was investigated and modeled with a nonlinear map. Model analyses provided a variable defining a dynamically stable solution that obviates computationally expensive corrections. Three experiments evaluated whether dynamic stability is optimized and what perceptual support is necessary for stable behavior. Two hypotheses were tested: (a) Performance is stable if racket acceleration is negative at impact, and (b) variability is lowest at an impact acceleration between -4 and -1 m/s2. In Experiment 1 participants performed the task, eyes open or closed, bouncing a ball confined to a 1-dimensional trajectory. Experiment 2 eliminated constraints on racket and ball trajectory. Experiment 3 excluded visual or haptic information. Movements were performed with negative racket accelerations in the range of highest stability. Performance with eyes closed was more variable, leaving acceleration unaffected. With haptic information, performance was more stable than with visual information alone.

am

[BibTex]

[BibTex]


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Biomimetic oculomotor control

Shibata, T., Vijayakumar, S., Conradt, J., Schaal, S.

Adaptive Behavior, 9(3/4):189-207, 2001, clmc (article)

Abstract
Oculomotor control in a humanoid robot faces similar problems as biological oculomotor systems, i.e., capturing targets accurately on a very narrow fovea, dealing with large delays in the control system, the stabilization of gaze in face of unknown perturbations of the body, selective attention, and the complexity of stereo vision. In this paper, we suggest control circuits to realize three of the most basic oculomotor behaviors and their integration - the vestibulo-ocular and optokinetic reflex (VOR-OKR) for gaze stabilization, smooth pursuit for tracking moving objects, and saccades for overt visual attention. Each of these behaviors and the mechanism for their integration was derived with inspiration from computational theories as well as behavioral and physiological data in neuroscience. Our implementations on a humanoid robot demonstrate good performance of the oculomotor behaviors, which proves to be a viable strategy to explore novel control mechanisms for humanoid robotics. Conversely, insights gained from our models have been able to directly influence views and provide new directions for computational neuroscience research.

am

link (url) [BibTex]

link (url) [BibTex]

1998


Surface second-order nonlinear optical activity
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]

1998


DOI [BibTex]


Linear electro-optic effect in optically active liquids
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]


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


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


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Local adaptive subspace regression

Vijayakumar, S., Schaal, S.

Neural Processing Letters, 7(3):139-149, 1998, clmc (article)

Abstract
Incremental learning of sensorimotor transformations in high dimensional spaces is one of the basic prerequisites for the success of autonomous robot devices as well as biological movement systems. So far, due to sparsity of data in high dimensional spaces, learning in such settings requires a significant amount of prior knowledge about the learning task, usually provided by a human expert. In this paper we suggest a partial revision of the view. Based on empirical studies, we observed that, despite being globally high dimensional and sparse, data distributions from physical movement systems are locally low dimensional and dense. Under this assumption, we derive a learning algorithm, Locally Adaptive Subspace Regression, that exploits this property by combining a dynamically growing local dimensionality reduction technique  as a preprocessing step with a nonparametric learning technique, locally weighted regression, that also learns the region of validity of the regression. The usefulness of the algorithm and the validity of its assumptions are illustrated for a synthetic data set, and for data of the inverse dynamics of human arm movements and an actual 7 degree-of-freedom anthropomorphic robot arm. 

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link (url) [BibTex]

link (url) [BibTex]