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2011


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Learning, planning, and control for quadruped locomotion over challenging terrain

Kalakrishnan, Mrinal, Buchli, Jonas, Pastor, Peter, Mistry, Michael, Schaal, S.

International Journal of Robotics Research, 30(2):236-258, February 2011 (article)

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[BibTex]

2011


[BibTex]


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Quantum-Cascade Laser-Based Vibrational Circular Dichroism

Luedeke, S., Pfeifer, M., Fischer, P.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 133(15):5704-5707, 2011 (article)

Abstract
Vibrational circular dichroism (VCD) spectra were recorded with a tunable external-cavity quantum-cascade laser (QCL). In comparison with standard thermal light sources in the IR, QCLs provide orders of magnitude more power and are therefore promising for VCD studies in strongly absorbing solvents. The brightness of this novel light source is demonstrated with VCD and IR absorption measurements of a number of compounds, including proline in water.

pf

DOI [BibTex]

DOI [BibTex]


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Actively coupled cavity ringdown spectroscopy with low-power broadband sources

Petermann, C., Fischer, P.

OPTICS EXPRESS, 19(11):10164-10173, 2011 (article)

Abstract
We demonstrate a coupling scheme for cavity enhanced absorption spectroscopy that makes use of an intracavity acousto-optical modulator to actively switch light into (and out of) a resonator. This allows cavity ringdown spectroscopy (CRDS) to be implemented with broadband nonlaser light sources with spectral power densities of less than 30 mu W/nm. Although the acousto-optical element reduces the ultimate detection limit by introducing additional losses, it permits absorptivities to be measured with a high dynamic range, especially in lossy environments. Absorption measurements for the forbidden transition of gaseous oxygen in air at similar to 760nm are presented using a low-coherence cw-superluminescent diode. The same setup was electronically configured to cover absorption losses from 1.8 x 10(-8)cm(-1) to 7.5\% per roundtrip. This could be of interest in process analytical applications. (C) 2011 Optical Society of America

pf

DOI [BibTex]

DOI [BibTex]


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Magnetically actuated propulsion at low Reynolds numbers: towards nanoscale control

Fischer, P., Ghosh, A.

NANOSCALE, 3(2):557-563, 2011 (article)

Abstract
Significant progress has been made in the fabrication of micron and sub-micron structures whose motion can be controlled in liquids under ambient conditions. The aim of many of these engineering endeavors is to be able to build and propel an artificial micro-structure that rivals the versatility of biological swimmers of similar size, e. g. motile bacterial cells. Applications for such artificial ``micro-bots'' are envisioned to range from microrheology to targeted drug delivery and microsurgery, and require full motion-control under ambient conditions. In this Mini-Review we discuss the construction, actuation, and operation of several devices that have recently been reported, especially systems that can be controlled by and propelled with homogenous magnetic fields. We describe the fabrication and associated experimental challenges and discuss potential applications.

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Video - Nanospropellers DOI [BibTex]


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Bayesian robot system identification with input and output noise

Ting, J., D’Souza, A., Schaal, S.

Neural Networks, 24(1):99-108, 2011, clmc (article)

Abstract
For complex robots such as humanoids, model-based control is highly beneficial for accurate tracking while keeping negative feedback gains low for compliance. However, in such multi degree-of-freedom lightweight systems, conventional identification of rigid body dynamics models using CAD data and actuator models is inaccurate due to unknown nonlinear robot dynamic effects. An alternative method is data-driven parameter estimation, but significant noise in measured and inferred variables affects it adversely. Moreover, standard estimation procedures may give physically inconsistent results due to unmodeled nonlinearities or insufficiently rich data. This paper addresses these problems, proposing a Bayesian system identification technique for linear or piecewise linear systems. Inspired by Factor Analysis regression, we develop a computationally efficient variational Bayesian regression algorithm that is robust to ill-conditioned data, automatically detects relevant features, and identifies input and output noise. We evaluate our approach on rigid body parameter estimation for various robotic systems, achieving an error of up to three times lower than other state-of-the-art machine learning methods

am

link (url) [BibTex]

link (url) [BibTex]


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Learning variable impedance control

Buchli, J., Stulp, F., Theodorou, E., Schaal, S.

International Journal of Robotics Research, 2011, clmc (article)

Abstract
One of the hallmarks of the performance, versatility, and robustness of biological motor control is the ability to adapt the impedance of the overall biomechanical system to different task requirements and stochastic disturbances. A transfer of this principle to robotics is desirable, for instance to enable robots to work robustly and safely in everyday human environments. It is, however, not trivial to derive variable impedance controllers for practical high degree-of-freedom (DOF) robotic tasks. In this contribution, we accomplish such variable impedance control with the reinforcement learning (RL) algorithm PISq ({f P}olicy {f I}mprovement with {f P}ath {f I}ntegrals). PISq is a model-free, sampling based learning method derived from first principles of stochastic optimal control. The PISq algorithm requires no tuning of algorithmic parameters besides the exploration noise. The designer can thus fully focus on cost function design to specify the task. From the viewpoint of robotics, a particular useful property of PISq is that it can scale to problems of many DOFs, so that reinforcement learning on real robotic systems becomes feasible. We sketch the PISq algorithm and its theoretical properties, and how it is applied to gain scheduling for variable impedance control. We evaluate our approach by presenting results on several simulated and real robots. We consider tasks involving accurate tracking through via-points, and manipulation tasks requiring physical contact with the environment. In these tasks, the optimal strategy requires both tuning of a reference trajectory emph{and} the impedance of the end-effector. The results show that we can use path integral based reinforcement learning not only for planning but also to derive variable gain feedback controllers in realistic scenarios. Thus, the power of variable impedance control is made available to a wide variety of robotic systems and practical applications.

am

link (url) [BibTex]

link (url) [BibTex]


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Weak value amplified optical activity measurements

Pfeifer, M., Fischer, P.

Opt. Express, 19(17):16508-16517, OSA, 2011 (article)

Abstract
We present a new form of optical activity measurement based on a modified weak value amplification scheme. It has recently been shown experimentally that the left- and right-circular polarization components refract with slightly different angles of refraction at a chiral interface causing a linearly polarized light beam to split into two. By introducing a polarization modulation that does not give rise to a change in the optical rotation it is possible to differentiate between the two circular polarization components even after post-selection with a linear polarizer. We show that such a modified weak value amplification measurement permits the sign of the splitting and thus the handedness of the optically active medium to be determined. Angular beam separations of Δθ ∼ 1 nanoradian, which corresponds to a circular birefringence of Δn ∼ 1 × 10−9, could be measured with a relative error of less than 1%.

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link (url) DOI [BibTex]

link (url) DOI [BibTex]


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Understanding haptics by evolving mechatronic systems

Loeb, G. E., Tsianos, G.A., Fishel, J.A., Wettels, N., Schaal, S.

Progress in Brain Research, 192, pages: 129, 2011 (article)

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[BibTex]

[BibTex]

2009


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Full phase and amplitude control in computer-generated holography

Fratz, M., Fischer, P., Giel, D. M.

OPTICS LETTERS, 34(23):3659-3661, 2009 (article)

Abstract
We report what we believe to be the first realization of a computer-generated complex-valued hologram recorded in a single film of photoactive polymer. Complex-valued holograms give rise to a diffracted optical field with control over its amplitude and phase. The holograms are generated by a one-step direct laser writing process in which a spatial light modulator (SLM) is imaged onto a polymer film. Temporal modulation of the SLM during exposure controls both the strength of the induced birefringence and the orientation of the fast axis. We demonstrate that complex holograms can be used to impart arbitrary amplitude and phase profiles onto a beam and thereby open new possibilities in the control of optical beams. (C) 2009 Optical Society of America

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[BibTex]

2009


[BibTex]


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Digital polarization holograms with defined magnitude and orientation of each pixel’s birefringence

Fratz, M., Giel, D. M., Fischer, P.

OPTICS LETTERS, 34(8):1270-1272, 2009 (article)

Abstract
A new form of digital polarization holography is demonstrated that permits both the amplitude and the phase of a diffracted beam to be independently controlled. This permits two independent intensity images to be stored in the same hologram. To fabricate the holograms, a birefringence with defined retardance and orientation of the fast axis is recorded into a photopolymer film. The holograms are selectively read out by choosing the polarization state of the read beam. Polarization holograms of this kind increase the data density in holographic data storage and allow higher quality diffractive optical elements to be written. (C) 2009 Optical Society of America

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[BibTex]


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Controlled Propulsion of Artificial Magnetic Nanostructured Propellers

Ghosh, A., Fischer, P.

NANO LETTERS, 9(6):2243-2245, 2009, Featured highlight ‘Nanotechnology: The helix that delivers’ Nature 459, 13 (2009). (article)

Abstract
For biomedical applications, such as targeted drug delivery and microsurgery, it is essential to develop a system of swimmers that can be propelled wirelessly in fluidic environments with good control. Here, we report the construction and operation of chiral colloidal propellers that can be navigated in water with micrometer-level precision using homogeneous magnetic fields. The propellers are made via nanostructured surfaces and can be produced in large numbers. The nanopropellers can carry chemicals, push loads, and act as local probes in rheological measurements.

Featured highlight ‘Nanotechnology: The helix that delivers’ Nature 459, 13 (2009).

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Video - Nanospropellers DOI [BibTex]

Video - Nanospropellers DOI [BibTex]


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Absolute Asymmetric Reduction Based on the Relative Orientation of Achiral Reactants

Kuhn, A., Fischer, P.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 48(37):6857-6860, 2009 (article)

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DOI [BibTex]

DOI [BibTex]


Valero-Cuevas, F., Hoffmann, H., Kurse, M. U., Kutch, J. J., Theodorou, E. A.

IEEE Reviews in Biomedical Engineering – (All authors have equally contributed), (2):110?135, 2009, clmc (article)

Abstract
Computational models of the neuromuscular system hold the potential to allow us to reach a deeper understanding of neuromuscular function and clinical rehabilitation by complementing experimentation. By serving as a means to distill and explore specific hypotheses, computational models emerge from prior experimental data and motivate future experimental work. Here we review computational tools used to understand neuromuscular function including musculoskeletal modeling, machine learning, control theory, and statistical model analysis. We conclude that these tools, when used in combination, have the potential to further our understanding of neuromuscular function by serving as a rigorous means to test scientific hypotheses in ways that complement and leverage experimental data.

am

link (url) [BibTex]

link (url) [BibTex]


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On-line learning and modulation of periodic movements with nonlinear dynamical systems

Gams, A., Ijspeert, A., Schaal, S., Lenarčič, J.

Autonomous Robots, 27(1):3-23, 2009, clmc (article)

Abstract
Abstract  The paper presents a two-layered system for (1) learning and encoding a periodic signal without any knowledge on its frequency and waveform, and (2) modulating the learned periodic trajectory in response to external events. The system is used to learn periodic tasks on a humanoid HOAP-2 robot. The first layer of the system is a dynamical system responsible for extracting the fundamental frequency of the input signal, based on adaptive frequency oscillators. The second layer is a dynamical system responsible for learning of the waveform based on a built-in learning algorithm. By combining the two dynamical systems into one system we can rapidly teach new trajectories to robots without any knowledge of the frequency of the demonstration signal. The system extracts and learns only one period of the demonstration signal. Furthermore, the trajectories are robust to perturbations and can be modulated to cope with a dynamic environment. The system is computationally inexpensive, works on-line for any periodic signal, requires no additional signal processing to determine the frequency of the input signal and can be applied in parallel to multiple dimensions. Additionally, it can adapt to changes in frequency and shape, e.g. to non-stationary signals, such as hand-generated signals and human demonstrations.

am

link (url) [BibTex]

link (url) [BibTex]


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Local dimensionality reduction for non-parametric regression

Hoffman, H., Schaal, S., Vijayakumar, S.

Neural Processing Letters, 2009, clmc (article)

Abstract
Locally-weighted regression is a computationally-efficient technique for non-linear regression. However, for high-dimensional data, this technique becomes numerically brittle and computationally too expensive if many local models need to be maintained simultaneously. Thus, local linear dimensionality reduction combined with locally-weighted regression seems to be a promising solution. In this context, we review linear dimensionality-reduction methods, compare their performance on nonparametric locally-linear regression, and discuss their ability to extend to incremental learning. The considered methods belong to the following three groups: (1) reducing dimensionality only on the input data, (2) modeling the joint input-output data distribution, and (3) optimizing the correlation between projection directions and output data. Group 1 contains principal component regression (PCR); group 2 contains principal component analysis (PCA) in joint input and output space, factor analysis, and probabilistic PCA; and group 3 contains reduced rank regression (RRR) and partial least squares (PLS) regression. Among the tested methods, only group 3 managed to achieve robust performance even for a non-optimal number of components (factors or projection directions). In contrast, group 1 and 2 failed for fewer components since these methods rely on the correct estimate of the true intrinsic dimensionality. In group 3, PLS is the only method for which a computationally-efficient incremental implementation exists. Thus, PLS appears to be ideally suited as a building block for a locally-weighted regressor in which projection directions are incrementally added on the fly.

am

link (url) [BibTex]

link (url) [BibTex]


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Incorporating Muscle Activation-Contraction dynamics to an optimal control framework for finger movements

Theodorou, Evangelos A., Valero-Cuevas, Francisco J.

Abstracts of Neural Control of Movement Conference (NCM 2009), 2009, clmc (article)

Abstract
Recent experimental and theoretical work [1] investigated the neural control of contact transition between motion and force during tapping with the index finger as a nonlinear optimization problem. Such transitions from motion to well-directed contact force are a fundamental part of dexterous manipulation. There are 3 alternative hypotheses of how this transition could be accomplished by the nervous system as a function of changes in direction and magnitude of the torque vector controlling the finger. These hypotheses are 1) an initial change in direction with a subsequent change in magnitude of the torque vector; 2) an initial change in magnitude with a subsequent directional change of the torque vector; and 3) a simultaneous and proportionally equal change of both direction and magnitude of the torque vector. Experimental work in [2] shows that the nervous system selects the first strategy, and in [1] we suggest that this may in fact be the optimal strategy. In [4] the framework of Iterative Linear Quadratic Optimal Regulator (ILQR) was extended to incorporate motion and force control. However, our prior simulation work assumed direct and instantaneous control of joint torques, which ignores the known delays and filtering properties of skeletal muscle. In this study, we implement an ILQR controller for a more biologically plausible biomechanical model of the index finger than [4], and add activation-contraction dynamics to the system to simulate muscle function. The planar biomechanical model includes the kinematics of the 3 joints while the applied torques are driven by activation?contraction dynamics with biologically plausible time constants [3]. In agreement with our experimental work [2], the task is to, within 500 ms, move the finger from a given resting configuration to target configuration with a desired terminal velocity. ILQR does not only stabilize the finger dynamics according to the objective function, but it also generates smooth joint space trajectories with minimal tuning and without an a-priori initial control policy (which is difficult to find for highly dimensional biomechanical systems). Furthemore, the use of this optimal control framework and the addition of activation-contraction dynamics considers the full nonlinear dynamics of the index finger and produces a sequence of postures which are compatible with experimental motion data [2]. These simulations combined with prior experimental results suggest that optimal control is a strong candidate for the generation of finger movements prior to abrupt motion-to-force transitions. This work is funded in part by grants NIH R01 0505520 and NSF EFRI-0836042 to Dr. Francisco J. Valero- Cuevas 1 Venkadesan M, Valero-Cuevas FJ. 
Effects of neuromuscular lags on controlling contact transitions. 
Philosophical Transactions of the Royal Society A: 2008. 2 Venkadesan M, Valero-Cuevas FJ. 
Neural Control of Motion-to-Force Transitions with the Fingertip. 
J. Neurosci., Feb 2008; 28: 1366 - 1373; 3 Zajac. Muscle and tendon: properties, models, scaling, and application to biomechanics and motor control. Crit Rev Biomed Eng, 17 4. Weiwei Li., Francisco Valero Cuevas: ?Linear Quadratic Optimal Control of Contact Transition with Fingertip ? ACC 2009

am

PDF [BibTex]

PDF [BibTex]


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On-line learning and modulation of periodic movements with nonlinear dynamical systems

Gams, A., Ijspeert, A., Schaal, S., Lenarčič, J.

Autonomous Robots, 27(1):3-23, 2009, clmc (article)

Abstract
Abstract  The paper presents a two-layered system for (1) learning and encoding a periodic signal without any knowledge on its frequency and waveform, and (2) modulating the learned periodic trajectory in response to external events. The system is used to learn periodic tasks on a humanoid HOAP-2 robot. The first layer of the system is a dynamical system responsible for extracting the fundamental frequency of the input signal, based on adaptive frequency oscillators. The second layer is a dynamical system responsible for learning of the waveform based on a built-in learning algorithm. By combining the two dynamical systems into one system we can rapidly teach new trajectories to robots without any knowledge of the frequency of the demonstration signal. The system extracts and learns only one period of the demonstration signal. Furthermore, the trajectories are robust to perturbations and can be modulated to cope with a dynamic environment. The system is computationally inexpensive, works on-line for any periodic signal, requires no additional signal processing to determine the frequency of the input signal and can be applied in parallel to multiple dimensions. Additionally, it can adapt to changes in frequency and shape, e.g. to non-stationary signals, such as hand-generated signals and human demonstrations.

am

link (url) [BibTex]

link (url) [BibTex]

2005


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Composite adaptive control with locally weighted statistical learning

Nakanishi, J., Farrell, J. A., Schaal, S.

Neural Networks, 18(1):71-90, January 2005, clmc (article)

Abstract
This paper introduces a provably stable learning adaptive control framework with statistical learning. The proposed algorithm employs nonlinear function approximation with automatic growth of the learning network according to the nonlinearities and the working domain of the control system. The unknown function in the dynamical system is approximated by piecewise linear models using a nonparametric regression technique. Local models are allocated as necessary and their parameters are optimized on-line. Inspired by composite adaptive control methods, the proposed learning adaptive control algorithm uses both the tracking error and the estimation error to update the parameters. We first discuss statistical learning of nonlinear functions, and motivate our choice of the locally weighted learning framework. Second, we begin with a class of first order SISO systems for theoretical development of our learning adaptive control framework, and present a stability proof including a parameter projection method that is needed to avoid potential singularities during adaptation. Then, we generalize our adaptive controller to higher order SISO systems, and discuss further extension to MIMO problems. Finally, we evaluate our theoretical control framework in numerical simulations to illustrate the effectiveness of the proposed learning adaptive controller for rapid convergence and high accuracy of control.

am

link (url) [BibTex]

2005


link (url) [BibTex]


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Nonlinear optical spectroscopy of chiral molecules

Fischer, P., Hache, F.

CHIRALITY, 17(8):421-437, 2005 (article)

Abstract
We review nonlinear optical processes that are specific to chiral molecules in solution and on surfaces. In contrast to conventional natural optical activity phenomena, which depend linearly on the electric field strength of the optical field, we discuss how optical processes that are nonlinear (quadratic, cubic, and quartic) functions of the electromagnetic field strength may probe optically active centers and chiral vibrations. We show that nonlinear techniques open entirely new ways of exploring chirality in chemical and biological systems: The cubic processes give rise to nonlinear circular dichroism and nonlinear optical rotation and make it possible to observe dynamic chiral processes at ultrafast time scales. The quadratic second-harmonic and sum-frequency-generation phenomena and the quartic processes may arise entirely in the electric-dipole approximation and do not require the use of circularly polarized light to detect chirality: They provide surface selectivity and their observables can be relatively much larger than in linear optical activity. These processes also give rise to the generation of light at a new color, and in liquids this frequency conversion only occurs if the solution is optically active. We survey recent chiral nonlinear optical experiments and give examples of their application to problems of biophysical interest. (C) 2005 Wiley-Liss, Inc.

pf

DOI [BibTex]

DOI [BibTex]


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Negative refraction at optical frequencies in nonmagnetic two-component molecular media

Chen, Y., Fischer, P., Wise, F.

PHYSICAL REVIEW LETTERS, 95(6), 2005 (article)

Abstract
There is significant motivation to develop media with negative refractive indices at optical frequencies, but efforts in this direction are hampered by the weakness of the magnetic response at such frequencies. We show theoretically that a nonmagnetic medium with two atomic or molecular constituents can exhibit a negative refractive index. A negative index is possible even when the real parts of both the permittivity and permeability are positive. This surprising result provides a route to isotropic negative-index media at optical frequencies.

pf

DOI [BibTex]

DOI [BibTex]


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A model of smooth pursuit based on learning of the target dynamics using only retinal signals

Shibata, T., Tabata, H., Schaal, S., Kawato, M.

Neural Networks, 18, pages: 213-225, 2005, clmc (article)

Abstract
While the predictive nature of the primate smooth pursuit system has been evident through several behavioural and neurophysiological experiments, few models have attempted to explain these results comprehensively. The model we propose in this paper in line with previous models employing optimal control theory; however, we hypothesize two new issues: (1) the medical superior temporal (MST) area in the cerebral cortex implements a recurrent neural network (RNN) in order to predict the current or future target velocity, and (2) a forward model of the target motion is acquired by on-line learning. We use stimulation studies to demonstrate how our new model supports these hypotheses.

am

link (url) [BibTex]

link (url) [BibTex]


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Parametric and Non-Parametric approaches for nonlinear tracking of moving objects

Hidaka, Y, Theodorou, E.

Technical Report-2005-1, 2005, clmc (article)

am

PDF [BibTex]

PDF [BibTex]

1998


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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]

1998


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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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. 

am

link (url) [BibTex]

link (url) [BibTex]