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2019


Thumb xl cell patterning with acoustic hologram
Acoustic Holographic Cell Patterning in a Biocompatible Hydrogel

Ma, Z., Holle, A., Melde, K., Qiu, T., Poeppel, K., Kadiri, V., Fischer, P.

Adv. Mat., October 2019 (article)

Abstract
Acoustophoresis is promising as a rapid, biocompatible, non-contact cell manipulation method, where cells are arranged along the nodes or antinodes of the acoustic field. Typically, the acoustic field is formed in a resonator, which results in highly symmetric regular patterns. However, arbitrary, non-symmetrically shaped cell assemblies are necessary to obtain the irregular cellular arrangements found in biological tissues. We show that arbitrarily shaped cell patterns can be obtained from the complex acoustic field distribution defined by an acoustic hologram. Attenuation of the sound field induces localized acoustic streaming and the resultant convection flow gently delivers the suspended cells to the image plane where they form the designed pattern. We show that the process can be implemented in a biocompatible collagen solution, which can then undergo gelation to immobilize the cell pattern inside the viscoelastic matrix. The patterned cells exhibit F-actin-based protrusions, which indicates that the cells grow and thrive within the matrix. Cell viability assays and brightfield imaging after one week confirm cell survival and that the patterns persist. Acoustophoretic cell manipulation by holographic fields thus holds promise for non-contact, long-range, long-term cellular pattern formation, with a wide variety of potential applications in tissue engineering and mechanobiology.

pf

[BibTex]


Thumb xl phantom surgery
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., October 2019 (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]


Thumb xl vision
Interactive Materials – Drivers of Future Robotic Systems

Fischer, P.

Adv. Mat., October 2019 (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

[BibTex]


Thumb xl teaser
EM-Fusion: Dynamic Object-Level SLAM With Probabilistic Data Association

Strecke, M., Stückler, J.

International Conference on Computer Vision, October 2019, arXiv:1904.11781 (conference) Accepted

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preprint [BibTex]

preprint [BibTex]


Thumb xl plasmonic dimers
Arrays of plasmonic nanoparticle dimers with defined nanogap spacers

Jeong, H., Adams, M. C., Guenther, J., Alarcon-Correa, M., Kim, I., Choi, E., Miksch, C., Mark, A. F. M., Mark, A. G., Fischer, P.

ACS Nano, September 2019 (article)

Abstract
Plasmonic molecules are building blocks of metallic nanostructures that give rise to intriguing optical phenomena with similarities to those seen in molecular systems. The ability to design plasmonic hybrid structures and molecules with nanometric resolution would enable applications in optical metamaterials and sensing that presently cannot be demonstrated, because of a lack of suitable fabrication methods allowing the structural control of the plasmonic atoms on a large scale. Here we demonstrate a wafer-scale “lithography-free” parallel fabrication scheme to realize nanogap plasmonic meta-molecules with precise control over their size, shape, material, and orientation. We demonstrate how we can tune the corresponding coupled resonances through the entire visible spectrum. Our fabrication method, based on glancing angle physical vapor deposition with gradient shadowing, permits critical parameters to be varied across the wafer and thus is ideally suited to screen potential structures. We obtain billions of aligned dimer structures with controlled variation of the spectral properties across the wafer. We spectroscopically map the plasmonic resonances of gold dimer structures and show that they not only are in good agreement with numerically modeled spectra, but also remain functional, at least for a year, in ambient conditions.

pf

link (url) DOI [BibTex]


Thumb xl enzyme nanonets toc
Genetically modified M13 bacteriophage nanonets for enzyme catalysis and recovery

Kadiri, V. M., Alarcon-Correa, M., Guenther, J. P., Ruppert, J., Bill, J., Rothenstein, D., Fischer, P.

Catalysts, 9, pages: 723, August 2019 (article)

Abstract
Enzyme-based biocatalysis exhibits multiple advantages over inorganic catalysts, including the biocompatibility and the unchallenged specificity of enzymes towards their substrate. The recovery and repeated use of enzymes is essential for any realistic application in biotechnology, but is not easily achieved with current strategies. For this purpose, enzymes are often immobilized on inorganic scaffolds, which could entail a reduction of the enzymes’ activity. Here, we show that immobilization to a nano-scaled biological scaffold, a nanonetwork of end-to-end cross-linked M13 bacteriophages, ensures high enzymatic activity and at the same time allows for the simple recovery of the enzymes. The bacteriophages have been genetically engineered to express AviTags at their ends, which permit biotinylation and their specific end-to-end self-assembly while allowing space on the major coat protein for enzyme coupling. We demonstrate that the phages form nanonetwork structures and that these so-called nanonets remain highly active even after re-using the nanonets multiple times in a flow-through reactor.

pf

link (url) DOI [BibTex]


Thumb xl special issue adv opt mat
Light-controlled micromotors and soft microrobots

Palagi, S., Singh, D. P., Fischer, P.

Adv. Opt. Mat., 7, pages: 1900370, August 2019 (article)

Abstract
Mobile microscale devices and microrobots can be powered by catalytic reactions (chemical micromotors) or by external fields. This report is focused on the role of light as a versatile means for wirelessly powering and controlling such microdevices. Recent advances in the development of autonomous micromotors are discussed, where light permits their actuation with unprecedented control and thereby enables advances in the field of active matter. In addition, structuring the light field is a new means to drive soft microrobots that are based on (photo‐) responsive polymers. The behavior of the two main classes of thermo‐ and photoresponsive polymers adopted in microrobotics (poly(N‐isopropylacrylamide) and liquid‐crystal elastomers) is analyzed, and recent applications are reported. The advantages and limitations of controlling micromotors and microrobots by light are reviewed, and some of the remaining challenges in the development of novel photo‐active materials for micromotors and microrobots are discussed.

pf

link (url) DOI [BibTex]


Thumb xl marss 42 palagi
Soft Continuous Surface for Micromanipulation driven by Light-controlled Hydrogels

Choi, E., Jeong, H., Qiu, T., Fischer, P., Palagi, S.

4th IEEE International Conference on Manipulation, Automation and Robotics at Small Scales (MARSS), July 2019 (conference)

Abstract
Remotely controlled, automated actuation and manipulation at the microscale is essential for a number of micro-manufacturing, biology, and lab-on-a-chip applications. To transport and manipulate micro-objects, arrays of remotely controlled micro-actuators are required, which, in turn, typically require complex and expensive solid-state chips. Here, we show that a continuous surface can function as a highly parallel, many-degree of freedom, wirelessly-controlled microactuator with seamless deformation. The soft continuous surface is based on a hydrogel that undergoes a volume change in response to applied light. The fabrication of the hydrogels and the characterization of their optical and thermomechanical behaviors are reported. The temperature-dependent localized deformation of the hydrogel is also investigated by numerical simulations. Static and dynamic deformations are obtained in the soft material by projecting light fields at high spatial resolution onto the surface. By controlling such deformations in open loop and especially closed loop, automated photoactuation is achieved. The surface deformations are then exploited to examine how inert microbeads can be manipulated autonomously on the surface. We believe that the proposed approach suggests ways to implement universal 2D micromanipulation schemes that can be useful for automation in microfabrication and lab-on-a-chip applications.

pf

[BibTex]

[BibTex]


Thumb xl kindney phantom
Soft Phantom for the Training of Renal Calculi Diagnostics and Lithotripsy

Li., D., Suarez-Ibarrola, R., Choi, E., Jeong, M., Gratzke, C., Miernik, A., Fischer, P., Qiu, T.

41st Annual International Conference of the IEEE Engineering in Medicine & Biology Society (EMBC), July 2019 (conference)

Abstract
Organ models are important for medical training and surgical planning. With the fast development of additive fabrication technologies, including 3D printing, the fabrication of 3D organ phantoms with precise anatomical features becomes possible. Here, we develop the first high-resolution kidney phantom based on soft material assembly, by combining 3D printing and polymer molding techniques. The phantom exhibits both the detailed anatomy of a human kidney and the elasticity of soft tissues. The phantom assembly can be separated into two parts on the coronal plane, thus large renal calculi are readily placed at any desired location of the calyx. With our sealing method, the assembled phantom withstands a hydraulic pressure that is four times the normal intrarenal pressure, thus it allows the simulation of medical procedures under realistic pressure conditions. The medical diagnostics of the renal calculi is performed by multiple imaging modalities, including X-ray, ultrasound imaging and endoscopy. The endoscopic lithotripsy is also successfully performed on the phantom. The use of a multifunctional soft phantom assembly thus shows great promise for the simulation of minimally invasive medical procedures under realistic conditions.

pf

[BibTex]

[BibTex]


Thumb xl marss qiu
A Magnetic Actuation System for the Active Microrheology in Soft Biomaterials

Jeong, M., Choi, E., Li., D., Palagi, S., Fischer, P., Qiu, T.

4th IEEE International Conference on Manipulation, Automation and Robotics at Small Scales (MARSS), July 2019 (conference)

Abstract
Microrheology is a key technique to characterize soft materials at small scales. The microprobe is wirelessly actuated and therefore typically only low forces or torques can be applied, which limits the range of the applied strain. Here, we report a new magnetic actuation system for microrheology consisting of an array of rotating permanent magnets, which achieves a rotating magnetic field with a spatially homogeneous high field strength of ~100 mT in a working volume of ~20×20×20 mm3. Compared to a traditional electromagnetic coil system, the permanent magnet assembly is portable and does not require cooling, and it exerts a large magnetic torque on the microprobe that is an order of magnitude higher than previous setups. Experimental results demonstrate that the measurement range of the soft gels’ elasticity covers at least five orders of magnitude. With the large actuation torque, it is also possible to study the fracture mechanics of soft biomaterials at small scales.

pf

[BibTex]

[BibTex]


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Variational Autoencoders Recover PCA Directions (by Accident)

Rolinek, M., Zietlow, D., Martius, G.

In Proceedings IEEE Conf. on Computer Vision and Pattern Recognition (CVPR), IEEE International Conference on Computer Vision and Pattern Recognition (CVPR) 2019, June 2019 (inproceedings)

Abstract
The Variational Autoencoder (VAE) is a powerful architecture capable of representation learning and generative modeling. When it comes to learning interpretable (disentangled) representations, VAE and its variants show unparalleled performance. However, the reasons for this are unclear, since a very particular alignment of the latent embedding is needed but the design of the VAE does not encourage it in any explicit way. We address this matter and offer the following explanation: the diagonal approximation in the encoder together with the inherent stochasticity force local orthogonality of the decoder. The local behavior of promoting both reconstruction and orthogonality matches closely how the PCA embedding is chosen. Alongside providing an intuitive understanding, we justify the statement with full theoretical analysis as well as with experiments.

al

arXiv link (url) Project Page [BibTex]

arXiv link (url) Project Page [BibTex]


Thumb xl learning tactile servoing thumbnail
Learning Latent Space Dynamics for Tactile Servoing

Sutanto, G., Ratliff, N., Sundaralingam, B., Chebotar, Y., Su, Z., Handa, A., Fox, D.

In Proceedings of the IEEE International Conference on Robotics and Automation (ICRA) 2019, IEEE, International Conference on Robotics and Automation, May 2019 (inproceedings) Accepted

am

pdf video [BibTex]

pdf video [BibTex]


Thumb xl m13 bacteriophages
Self-Assembled Phage-Based Colloids for High Localized Enzymatic Activity

Alarcon-Correa, M., Guenther, J., Troll, J., Kadiri, V. M., Bill, J., Fischer, P., Rothenstein, D.

ACS Nano, March 2019 (article)

Abstract
Catalytically active colloids are model systems for chemical motors and active matter. It is desirable to replace the inorganic catalysts and the toxic fuels that are often used, with biocompatible enzymatic reactions. However, compared to inorganic catalysts, enzyme-coated colloids tend to exhibit less activity. Here, we show that the self-assembly of genetically engineered M13 bacteriophages that bind enzymes to magnetic beads ensures high and localized enzymatic activity. These phage-decorated colloids provide a proteinaceous environment for directed enzyme immobilization. The magnetic properties of the colloidal carrier particle permit repeated enzyme recovery from a reaction solution, while the enzymatic activity is retained. Moreover, localizing the phage-based construct with a magnetic field in a microcontainer allows the enzyme-phage-colloids to function as an enzymatic micropump, where the enzymatic reaction generates a fluid flow. This system shows the fastest fluid flow reported to date by a biocompatible enzymatic micropump. In addition, it is functional in complex media including blood where the enzyme driven micropump can be powered at the physiological blood-urea concentration.

pf

link (url) DOI [BibTex]


Thumb xl jcp pfg nmr
Absolute diffusion measurements of active enzyme solutions by NMR

Guenther, J., Majer, G., Fischer, P.

J. Chem. Phys., 150(124201), March 2019 (article)

Abstract
The diffusion of enzymes is of fundamental importance for many biochemical processes. Enhanced or directed enzyme diffusion can alter the accessibility of substrates and the organization of enzymes within cells. Several studies based on fluorescence correlation spectroscopy (FCS) report enhanced diffusion of enzymes upon interaction with their substrate or inhibitor. In this context, major importance is given to the enzyme fructose-bisphosphate aldolase, for which enhanced diffusion has been reported even though the catalysed reaction is endothermic. Additionally, enhanced diffusion of tracer particles surrounding the active aldolase enzymes has been reported. These studies suggest that active enzymes can act as chemical motors that self-propel and give rise to enhanced diffusion. However, fluorescence studies of enzymes can, despite several advantages, suffer from artefacts. Here we show that the absolute diffusion coefficients of active enzyme solutions can be determined with Pulsed Field Gradient Nuclear Magnetic Resonance (PFG-NMR). The advantage of PFG-NMR is that the motion of the molecule of interest is directly observed in its native state without the need for any labelling. Further, PFG-NMR is model-free and thus yields absolute diffusion constants. Our PFG-NMR experiments of solutions containing active fructose-bisphosphate aldolase from rabbit muscle do not show any diffusion enhancement for the active enzymes nor the surrounding molecules. Additionally, we do not observe any diffusion enhancement of aldolase in the presence of its inhibitor pyrophosphate.

pf

link (url) DOI [BibTex]


Thumb xl activeoptorheologicalmedium
Chemical Nanomotors at the Gram Scale Form a Dense Active Optorheological Medium

Choudhury, U., Singh, D. P., Qiu, T., Fischer, P.

Adv. Mat., (1807382), Febuary 2019 (article)

Abstract
The rheological properties of a colloidal suspension are a function of the concentration of the colloids and their interactions. While suspensions of passive colloids are well studied and have been shown to form crystals, gels, and glasses, examples of energy‐consuming “active” colloidal suspensions are still largely unexplored. Active suspensions of biological matter, such as motile bacteria or dense mixtures of active actin–motor–protein mixtures have, respectively, reveals superfluid‐like and gel‐like states. Attractive inanimate systems for active matter are chemically self‐propelled particles. It has so far been challenging to use these swimming particles at high enough densities to affect the bulk material properties of the suspension. Here, it is shown that light‐triggered asymmetric titanium dioxide that self‐propel, can be obtained in large quantities, and self‐organize to make a gram‐scale active medium. The suspension shows an activity‐dependent tenfold reversible change in its bulk viscosity.

pf

link (url) DOI [BibTex]


Thumb xl hyperrayleigh
First Observation of Optical Activity in Hyper-Rayleigh Scattering

Collins, J., Rusimova, K., Hooper, D., Jeong, H. H., Ohnoutek, L., Pradaux-Caggiano, F., Verbiest, T., Carbery, D., Fischer, P., Valev, V.

Phys. Rev. X, 9(011024), January 2019 (article)

Abstract
Chiral nano- or metamaterials and surfaces enable striking photonic properties, such as negative refractive index and superchiral light, driving promising applications in novel optical components, nanorobotics, and enhanced chiral molecular interactions with light. In characterizing chirality, although nonlinear chiroptical techniques are typically much more sensitive than their linear optical counterparts, separating true chirality from anisotropy is a major challenge. Here, we report the first observation of optical activity in second-harmonic hyper-Rayleigh scattering (HRS). We demonstrate the effect in a 3D isotropic suspension of Ag nanohelices in water. The effect is 5 orders of magnitude stronger than linear optical activity and is well pronounced above the multiphoton luminescence background. Because of its sensitivity, isotropic environment, and straightforward experimental geometry, HRS optical activity constitutes a fundamental experimental breakthrough in chiral photonics for media including nanomaterials, metamaterials, and chemical molecules.

pf

link (url) DOI [BibTex]

link (url) DOI [BibTex]


Thumb xl systemillustration
Autonomous Identification and Goal-Directed Invocation of Event-Predictive Behavioral Primitives

Gumbsch, C., Butz, M. V., Martius, G.

IEEE Transactions on Cognitive and Developmental Systems, 2019 (article)

Abstract
Voluntary behavior of humans appears to be composed of small, elementary building blocks or behavioral primitives. While this modular organization seems crucial for the learning of complex motor skills and the flexible adaption of behavior to new circumstances, the problem of learning meaningful, compositional abstractions from sensorimotor experiences remains an open challenge. Here, we introduce a computational learning architecture, termed surprise-based behavioral modularization into event-predictive structures (SUBMODES), that explores behavior and identifies the underlying behavioral units completely from scratch. The SUBMODES architecture bootstraps sensorimotor exploration using a self-organizing neural controller. While exploring the behavioral capabilities of its own body, the system learns modular structures that predict the sensorimotor dynamics and generate the associated behavior. In line with recent theories of event perception, the system uses unexpected prediction error signals, i.e., surprise, to detect transitions between successive behavioral primitives. We show that, when applied to two robotic systems with completely different body kinematics, the system manages to learn a variety of complex behavioral primitives. Moreover, after initial self-exploration the system can use its learned predictive models progressively more effectively for invoking model predictive planning and goal-directed control in different tasks and environments.

al

arXiv PDF video link (url) DOI Project Page [BibTex]


no image
Machine Learning for Haptics: Inferring Multi-Contact Stimulation From Sparse Sensor Configuration

Sun, H., Martius, G.

Frontiers in Neurorobotics, 13, pages: 51, 2019 (article)

Abstract
Robust haptic sensation systems are essential for obtaining dexterous robots. Currently, we have solutions for small surface areas such as fingers, but affordable and robust techniques for covering large areas of an arbitrary 3D surface are still missing. Here, we introduce a general machine learning framework to infer multi-contact haptic forces on a 3D robot’s limb surface from internal deformation measured by only a few physical sensors. The general idea of this framework is to predict first the whole surface deformation pattern from the sparsely placed sensors and then to infer number, locations and force magnitudes of unknown contact points. We show how this can be done even if training data can only be obtained for single-contact points using transfer learning at the example of a modified limb of the Poppy robot. With only 10 strain-gauge sensors we obtain a high accuracy also for multiple-contact points. The method can be applied to arbitrarily shaped surfaces and physical sensor types, as long as training data can be obtained.

al

link (url) DOI [BibTex]


Thumb xl screenshot from 2019 03 21 12 11 19
Automated Generation of Reactive Programs from Human Demonstration for Orchestration of Robot Behaviors

Berenz, V., Bjelic, A., Mainprice, J.

ArXiv, 2019 (article)

Abstract
Social robots or collaborative robots that have to interact with people in a reactive way are difficult to program. This difficulty stems from the different skills required by the programmer: to provide an engaging user experience the behavior must include a sense of aesthetics while robustly operating in a continuously changing environment. The Playful framework allows composing such dynamic behaviors using a basic set of action and perception primitives. Within this framework, a behavior is encoded as a list of declarative statements corresponding to high-level sensory-motor couplings. To facilitate non-expert users to program such behaviors, we propose a Learning from Demonstration (LfD) technique that maps motion capture of humans directly to a Playful script. The approach proceeds by identifying the sensory-motor couplings that are active at each step using the Viterbi path in a Hidden Markov Model (HMM). Given these activation patterns, binary classifiers called evaluations are trained to associate activations to sensory data. Modularity is increased by clustering the sensory-motor couplings, leading to a hierarchical tree structure. The novelty of the proposed approach is that the learned behavior is encoded not in terms of trajectories in a task space, but as couplings between sensory information and high-level motor actions. This provides advantages in terms of behavioral generalization and reactivity displayed by the robot.

am

Support Video link (url) [BibTex]


no image
Visual-Inertial Mapping with Non-Linear Factor Recovery

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

2019, arXiv:1904.06504 (misc)

ev

[BibTex]

[BibTex]


no image
Learning to Disentangle Latent Physical Factors for Video Prediction

Zhu, D., Munderloh, M., Rosenhahn, B., Stückler, J.

In German Conference on Pattern Recognition (GCPR), 2019, to appear (inproceedings)

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dataset & evaluation code video preprint [BibTex]

dataset & evaluation code video preprint [BibTex]


no image
3D Birds-Eye-View Instance Segmentation

Elich, C., Engelmann, F., Kontogianni, T., Leibe, B.

In German Conference on Pattern Recognition (GCPR), 2019, arXiv:1904.02199, to appear (inproceedings)

ev

[BibTex]

[BibTex]

1998


no image
Programmable pattern generators

Schaal, S., Sternad, D.

In 3rd International Conference on Computational Intelligence in Neuroscience, pages: 48-51, Research Triangle Park, NC, Oct. 24-28, October 1998, clmc (inproceedings)

Abstract
This paper explores the idea to create complex human-like arm movements from movement primitives based on nonlinear attractor dynamics. Each degree-of-freedom of an arm is assumed to have two independent abilities to create movement, one through a discrete dynamic system, and one through a rhythmic system. The discrete system creates point-to-point movements based on internal or external target specifications. The rhythmic system can add an additional oscillatory movement relative to the current position of the discrete system. In the present study, we develop appropriate dynamic systems that can realize the above model, motivate the particular choice of the systems from a biological and engineering point of view, and present simulation results of the performance of such movement primitives. Implementation results on a Sarcos Dexterous Arm are discussed.

am

link (url) [BibTex]

1998


link (url) [BibTex]


Thumb xl toc image
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]


Thumb xl toc image
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]


Thumb xl toc image
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]


Thumb xl toc image
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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Robust local learning in high dimensional spaces

Vijayakumar, S., Schaal, S.

In 5th Joint Symposium on Neural Computation, pages: 186-193, Institute for Neural Computation, University of California, San Diego, San Diego, CA, 1998, clmc (inproceedings)

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 this 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.

am

[BibTex]

[BibTex]


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Local dimensionality reduction

Schaal, S., Vijayakumar, S., Atkeson, C. G.

In Advances in Neural Information Processing Systems 10, pages: 633-639, (Editors: Jordan, M. I.;Kearns, M. J.;Solla, S. A.), MIT Press, Cambridge, MA, 1998, clmc (inproceedings)

Abstract
If globally high dimensional data has locally only low dimensional distributions, it is advantageous to perform a local dimensionality reduction before further processing the data. In this paper we examine several techniques for local dimensionality reduction in the context of locally weighted linear regression. As possible candidates, we derive local versions of factor analysis regression, principle component regression, principle component regression on joint distributions, and partial least squares regression. After outlining the statistical bases of these methods, we perform Monte Carlo simulations to evaluate their robustness with respect to violations of their statistical assumptions. One surprising outcome is that locally weighted partial least squares regression offers the best average results, thus outperforming even factor analysis, the theoretically most appealing of our candidate techniques.

am

link (url) [BibTex]

link (url) [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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Biomimetic gaze stabilization based on a study of the vestibulocerebellum

Shibata, T., Schaal, S.

In European Workshop on Learning Robots, pages: 84-94, Edinburgh, UK, 1998, clmc (inproceedings)

Abstract
Accurate oculomotor control is one of the essential pre-requisites for successful visuomotor coordination. In this paper, we suggest a biologically inspired control system for learning gaze stabilization with a biomimetic robotic oculomotor system. In a stepwise fashion, we develop a control circuit for the vestibulo-ocular reflex (VOR) and the opto-kinetic response (OKR), and add a nonlinear learning network to allow adaptivity. We discuss the parallels and differences of our system with biological oculomotor control and suggest solutions how to deal with nonlinearities and time delays in the control system. In simulation and actual robot studies, we demonstrate that our system can learn gaze stabilization in real time in only a few seconds with high final accuracy.

am

link (url) [BibTex]

link (url) [BibTex]


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Towards biomimetic vision

Shibata, T., Schaal, S.

In International Conference on Intelligence Robots and Systems, pages: 872-879, Victoria, Canada, 1998, clmc (inproceedings)

Abstract
Oculomotor control is the foundation of most biological visual systems, as well as an important component in the entire perceptual-motor system. We review some of the most basic principles of biological oculomotor systems, and explore their usefulness from both the biological and computational point of view. As an example of biomimetic oculomotor control, we present the state of our implementations and experimental results using the vestibulo-ocular-reflex and opto-kinetic-reflex paradigm

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. 

am

link (url) [BibTex]

link (url) [BibTex]


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Accurate Vision-based Manipulation through Contact Reasoning

Kloss, A., Bauza, M., Wu, J., Tenenbaum, J. B., Rodriguez, A., Bohg, J.

In International Conference on Robotics and Automation, May (inproceedings) Submitted

Abstract
Planning contact interactions is one of the core challenges of many robotic tasks. Optimizing contact locations while taking dynamics into account is computationally costly and in only partially observed environments, executing contact-based tasks often suffers from low accuracy. We present an approach that addresses these two challenges for the problem of vision-based manipulation. First, we propose to disentangle contact from motion optimization. Thereby, we improve planning efficiency by focusing computation on promising contact locations. Second, we use a hybrid approach for perception and state estimation that combines neural networks with a physically meaningful state representation. In simulation and real-world experiments on the task of planar pushing, we show that our method is more efficient and achieves a higher manipulation accuracy than previous vision-based approaches.

am

[BibTex]


[BibTex]