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2011


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k-NN Regression Adapts to Local Intrinsic Dimension

Kpotufe, S.

In Advances in Neural Information Processing Systems 24, pages: 729-737, (Editors: J Shawe-Taylor and RS Zemel and P Bartlett and F Pereira and KQ Weinberger), Twenty-Fifth Annual Conference on Neural Information Processing Systems (NIPS), 2011 (inproceedings)

Abstract
Many nonparametric regressors were recently shown to converge at rates that depend only on the intrinsic dimension of data. These regressors thus escape the curse of dimension when high-dimensional data has low intrinsic dimension (e.g. a manifold). We show that k-NN regression is also adaptive to intrinsic dimension. In particular our rates are local to a query x and depend only on the way masses of balls centered at x vary with radius. Furthermore, we show a simple way to choose k = k(x) locally at any x so as to nearly achieve the minimax rate at x in terms of the unknown intrinsic dimension in the vicinity of x. We also establish that the minimax rate does not depend on a particular choice of metric space or distribution, but rather that this minimax rate holds for any metric space and doubling measure.

ei

PDF Web [BibTex]

2011


PDF Web [BibTex]


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Fast Newton-type Methods for Total-Variation with Applications

Barbero, A., Sra, S.

In Proceedings of the 28th International Conference on Machine Learning, ICML 2011, pages: 313-320, (Editors: L Getoor and T Scheffer), Omnipress, 28th International Conference on Machine Learning (ICML), 2011 (inproceedings)

ei

[BibTex]

[BibTex]


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Parallel Gibbs Sampling: From Colored Fields to Thin Junction Trees

Gonzalez, J., Low, Y., Gretton, A., Guestrin, C.

In Proceedings of the 14th International Conference on Artificial Intelligence and Statistics, Vol. 15, pages: 324-332, (Editors: G Gordon and D Dunson and M Dudík), JMLR, AISTATS, 2011 (inproceedings)

ei

PDF [BibTex]

PDF [BibTex]


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Transfer Learning with Copulas

Lopez-Paz, D., Hernandez-Lobato, J.

Neural Information Processing Systems (NIPS), 2011 (poster)

ei

PDF [BibTex]

PDF [BibTex]


Quantum-Cascade Laser-Based Vibrational Circular Dichroism
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.

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DOI [BibTex]

DOI [BibTex]


Recovering Intrinsic Images with a Global Sparsity Prior on Reflectance
Recovering Intrinsic Images with a Global Sparsity Prior on Reflectance

Gehler, P., Rother, C., Kiefel, M., Zhang, L., Schölkopf, B.

In Advances in Neural Information Processing Systems 24, pages: 765-773, (Editors: Shawe-Taylor, John and Zemel, Richard S. and Bartlett, Peter L. and Pereira, Fernando C. N. and Weinberger, Kilian Q.), Curran Associates, Inc., Red Hook, NY, USA, Twenty-Fifth Annual Conference on Neural Information Processing Systems (NIPS), 2011 (inproceedings)

Abstract
We address the challenging task of decoupling material properties from lighting properties given a single image. In the last two decades virtually all works have concentrated on exploiting edge information to address this problem. We take a different route by introducing a new prior on reflectance, that models reflectance values as being drawn from a sparse set of basis colors. This results in a Random Field model with global, latent variables (basis colors) and pixel-accurate output reflectance values. We show that without edge information high-quality results can be achieved, that are on par with methods exploiting this source of information. Finally, we are able to improve on state-of-the-art results by integrating edge information into our model. We believe that our new approach is an excellent starting point for future developments in this field.

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website + code pdf poster Project Page Project Page [BibTex]

website + code pdf poster Project Page Project Page [BibTex]


Actively coupled cavity ringdown spectroscopy with low-power broadband sources
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

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DOI [BibTex]

DOI [BibTex]


Magnetically actuated propulsion at low Reynolds numbers: towards nanoscale control
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]


Weak value amplified optical activity measurements
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]

1998


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SVMs — a practical consequence of learning theory

Schölkopf, B.

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

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

ei

PDF Web DOI [BibTex]

1998


PDF Web DOI [BibTex]


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Prior knowledge in support vector kernels

Schölkopf, B., Simard, P., Smola, A., Vapnik, V.

In Advances in Neural Information Processing Systems 10, pages: 640-646 , (Editors: M Jordan and M Kearns and S Solla ), MIT Press, Cambridge, MA, USA, Eleventh Annual Conference on Neural Information Processing (NIPS), June 1998 (inproceedings)

ei

PDF Web [BibTex]

PDF Web [BibTex]


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From regularization operators to support vector kernels

Smola, A., Schölkopf, B.

In Advances in Neural Information Processing Systems 10, pages: 343-349, (Editors: M Jordan and M Kearns and S Solla), MIT Press, Cambridge, MA, USA, 11th Annual Conference on Neural Information Processing (NIPS), June 1998 (inproceedings)

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Learning view graphs for robot navigation

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

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

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

ei

PDF PDF DOI [BibTex]

PDF PDF DOI [BibTex]


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.

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DOI [BibTex]

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.

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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.

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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.

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DOI [BibTex]

DOI [BibTex]

1996


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Incorporating invariances in support vector learning machines

Schölkopf, B., Burges, C., Vapnik, V.

In Artificial Neural Networks: ICANN 96, LNCS vol. 1112, pages: 47-52, (Editors: C von der Malsburg and W von Seelen and JC Vorbrüggen and B Sendhoff), Springer, Berlin, Germany, 6th International Conference on Artificial Neural Networks, July 1996, volume 1112 of Lecture Notes in Computer Science (inproceedings)

Abstract
Developed only recently, support vector learning machines achieve high generalization ability by minimizing a bound on the expected test error; however, so far there existed no way of adding knowledge about invariances of a classification problem at hand. We present a method of incorporating prior knowledge about transformation invariances by applying transformations to support vectors, the training examples most critical for determining the classification boundary.

ei

PDF DOI [BibTex]

1996


PDF DOI [BibTex]