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2011


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Projected Newton-type methods in machine learning

Schmidt, M., Kim, D., Sra, S.

In Optimization for Machine Learning, pages: 305-330, (Editors: Sra, S., Nowozin, S. and Wright, S. J.), MIT Press, Cambridge, MA, USA, December 2011 (inbook)

Abstract
We consider projected Newton-type methods for solving large-scale optimization problems arising in machine learning and related fields. We first introduce an algorithmic framework for projected Newton-type methods by reviewing a canonical projected (quasi-)Newton method. This method, while conceptually pleasing, has a high computation cost per iteration. Thus, we discuss two variants that are more scalable, namely, two-metric projection and inexact projection methods. Finally, we show how to apply the Newton-type framework to handle non-smooth objectives. Examples are provided throughout the chapter to illustrate machine learning applications of our framework.

ei

PDF Web [BibTex]

2011


PDF Web [BibTex]


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Combined whole-body PET/MR imaging: MR contrast agents do not affect the quantitative accuracy of PET following attenuation correction

Lois, C., Kupferschläger, J., Bezrukov, I., Schmidt, H., Werner, M., Mannheim, J., Pichler, B., Schwenzer, N., Beyer, T.

(SST15-05 ), 97th Scientific Assemble and Annual Meeting of the Radiological Society of North America (RSNA), December 2011 (talk)

Abstract
PURPOSE Combined PET/MR imaging entails the use of MR contrast agents (MRCA) as part of integrated protocols. We assess additional attenuation of the PET emission signals in the presence of oral and intraveneous (iv) MRCA made up of iron oxide and Gd-chelates, respectively. METHOD AND MATERIALS Phantom scans were performed on a clinical PET/CT (Biograph HiRez16, Siemens) and integrated whole-body PET/MR (Biograph mMR, Siemens) using oral (Lumirem) and intraveneous (Gadovist) MRCA. Reference PET attenuation values were determined on a small-animal PET (Inveon, Siemens) using standard PET transmission imaging (TX). Seven syringes of 5mL were filled with (a) Water, (b) Lumirem_100 (100% conc.), (c) Gadovist_100 (100%), (d) Gadovist_18 (18%), (e) Gadovist_02 (0.2%), (f) Imeron-400 CT iv-contrast (100%) and (g) Imeron-400 (2.4%). The same set of syringes was scanned on CT (Sensation16, Siemens) at 120kVp and 160mAs. The effect of MRCA on the attenuation of PET emission data was evaluated using a 20cm cylinder filled uniformly with [18F]-FDG (FDG) in water (BGD). Three 4.5cm diameter cylinders were inserted into the phantom: (C1) Teflon, (C2) Water+FDG (2:1) and (C3) Lumirem_100+FDG (2:1). Two 50mL syringes filled with Gadovist_02+FDG (Sy1) and water+FDG (Sy2) were attached to the sides of (C1) to mimick the effects of iv-contrast in vessels near bone. Syringe-to-background activity ratio was 4-to-1. PET emission data were acquired for 10min each using the PET/CT and the PET/MR. Images were reconstructed using CT- and MR-based attenuation correction. RESULTS Mean linear PET attenuation (cm-1) on TX was (a) 0.098, (b) 0.098, (c) 0.300, (d) 0.134, (e) 0.095, (f) 0.397 and (g) 0.105. Corresponding CT attenuation (HU) was: (a) 5, (b) 14, (c) 3070, (d) 1040, (e) 13, (f) 3070 and (g) 347. Lumirem had little effect on PET attenuation with (C3) being 13% and 10% higher than (C2) on PET/CT and PET/MR, respectively. Gadovist_02 had even smaller effects with (Sy1) being 2.5% lower than (Sy2) on PET/CT and 1.2% higher than (Sy2) on PET/MR. CONCLUSION MRCA in high and clinically relevant concentrations have attenuation values similar to that of CT contrast and water, respectively. In clinical PET/MR scenarios MRCA are not expected to lead to significant attenuation of the PET emission signals.

ei

Web [BibTex]

Web [BibTex]


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Cooperative Cuts: a new use of submodularity in image segmentation

Jegelka, S.

Second I.S.T. Austria Symposium on Computer Vision and Machine Learning, October 2011 (talk)

ei

Web [BibTex]

Web [BibTex]


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Effect of MR Contrast Agents on Quantitative Accuracy of PET in Combined Whole-Body PET/MR Imaging

Lois, C., Bezrukov, I., Schmidt, H., Schwenzer, N., Werner, M., Pichler, B., Kupferschläger, J., Beyer, T.

2011(MIC3-3), 2011 IEEE Nuclear Science Symposium, Medical Imaging Conference (NSS-MIC), October 2011 (talk)

Abstract
Combined whole-body PET/MR systems are being tested in clinical practice today. Integrated imaging protocols entail the use of MR contrast agents (MRCA) that could bias PET attenuation correction. In this work, we assess the effect of MRCA in PET/MR imaging. We analyze the effect of oral and intravenous MRCA on PET activity after attenuation correction. We conclude that in clinical scenarios, MRCA are not expected to lead to significant attenuation of PET signals, and that attenuation maps are not biased after the ingestion of adequate oral contrasts.

ei

Web [BibTex]

Web [BibTex]


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First Results on Patients and Phantoms of a Fully Integrated Clinical Whole-Body PET/MRI

Schmidt, H., Schwenzer, N., Bezrukov, I., Kolb, A., Mantlik, F., Kupferschläger, J., Lois, C., Sauter, A., Brendle, C., Pfannenberg, C., Pichler, B.

2011(J2-8), 2011 IEEE Nuclear Science Symposium, Medical Imaging Conference (NSS-MIC), October 2011 (talk)

Abstract
First clinical fully integrated whole-body PET/MR scanners are just entering the field. Here, we present studies toward quantification accuracy and variation within the PET field of view of small lesions from our BrainPET/MRI, a dedicated clinical brain scanner which was installed three years ago in Tbingen. Also, we present first results for patient and phantom scans of a fully integral whole-body PET/MRI, which was installed two months ago at our department. The quantification accuracy and homogeneity of the BrainPET-Insert (Siemens Medical Solutions, Germany) installed inside the magnet bore of a clinical 3T MRI scanner (Magnetom TIM Trio, Siemens Medical Solutions, Germany) was evaluated by using eight hollow spheres with inner diameters from 3.95 to 7.86 mm placed at different positions inside a homogeneous cylinder phantom with an 9:1 and 6:1 sphere to background ratio. The quantification accuracy for small lesions at different positions in the PET FoV shows a standard deviation of up to 11% and is acceptable for quantitative brain studies where the homogeneity of quantification on the entire FoV is essental. Image quality and resolution of the new Siemens whole-body PET/MR system (Biograph mMR, Siemens Medical Solutions, Germany) was evaluated according to the NEMA NU2 2007 protocol using a body phantom containing six spheres with inner diameter from 10 to 37 mm at sphere to background ratios of 8:1 and 4:1 and the F-18 point sources located at different positions inside the PET FoV, respectively. The evaluation of the whole-body PET/MR system reveals a good PET image quality and resolution comparable to state-of-the-art clinical PET/CT scanners. First images of patient studies carried out at the whole-body PET/MR are presented highlighting the potency of combined PET/MR imaging.

ei

Web [BibTex]

Web [BibTex]


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Effect of MR contrast agents on quantitative accuracy of PET in combined whole-body PET/MR imaging

Lois, C., Kupferschläger, J., Bezrukov, I., Schmidt, H., Werner, M., Mannheim, J., Pichler, B., Schwenzer, N., Beyer, T.

(OP314), Annual Congress of the European Association of Nuclear Medicine (EANM), October 2011 (talk)

Abstract
PURPOSE:Combined PET/MR imaging entails the use of MR contrast agents (MRCA) as part of integrated protocols. MRCA are made up of iron oxide and Gd-chelates for oral and intravenous (iv) application, respectively. We assess additional attenuation of the PET emission signals in the presence of oral and iv MRCA.MATERIALS AND METHODS:Phantom scans were performed on a clinical PET/CT (Biograph HiRez16, Siemens) and an integrated whole-body PET/MR (Biograph mMR, Siemens). Two common MRCA were evaluated: Lumirem (oral) and Gadovist (iv).Reference PET attenuation values were determined on a dedicated small-animal PET (Inveon, Siemens) using equivalent standard PET transmission source imaging (TX). Seven syringes of 5mL were filled with (a) Water, (b) Lumirem_100 (100% concentration), (c) Gadovist_100 (100%), (d) Gadovist_18 (18%), (e) Gadovist_02 (0.2%), (f) Imeron-400 CT iv-contrast (100%) and (g) Imeron-400 (2.4%). The same set of syringes was scanned on CT (Sensation16, Siemens) at 120kVp and 160mAs.The effect of MRCA on the attenuation of PET emission data was evaluated using a 20cm cylinder filled uniformly with [18F]-FDG (FDG) in water (BGD). Three 4.5cm diameter cylinders were inserted into the phantom: (C1) Teflon, (C2) Water+FDG (2:1) and (C3) Lumirem_100+FDG (2:1). Two 50mL syringes filled with Gadovist_02+FDG (Sy1) and water+FDG (Sy2) were attached to the sides of (C1) to mimick the effects of iv-contrast in vessels near bone. Syringe-to-background activity ratio was 4-to-1.PET emission data were acquired for 10min each using the PET/CT and the PET/MR. Images were reconstructed using CT- and MR-based attenuation correction (AC). Since Teflon is not correctly identified on MR, PET(/MR) data were reconstructed using MR-AC and CT-AC.RESULTS:Mean linear PET attenuation (cm-1) on TX was (a) 0.098, (b) 0.098, (c) 0.300, (d) 0.134, (e) 0.095, (f) 0.397 and (g) 0.105. Corresponding CT attenuation (HU) was: (a) 5, (b) 14, (c) 3070, (d) 1040, (e) 13, (f) 3070 and (g) 347.Lumirem had little effect on PET attenuation with (C3) being 13%, 10% and 11% higher than (C2) on PET/CT, PET/MR with MR-AC, and PET/MR with CT-AC, respectively. Gadovist_02 had even smaller effects with (Sy1) being 2.5% lower, 1.2% higher, and 3.5% lower than (Sy2) on PET/CT, PET/MR with MR-AC and PET/MR with CT-AC, respectively.CONCLUSION:MRCA in high and clinically relevant concentrations have attenuation values similar to that of CT contrast and water, respectively. In clinical PET/MR scenarios MRCA are not expected to lead to significant attenuation of the PET emission signals.

ei

Web [BibTex]

Web [BibTex]


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Multi-parametric Tumor Characterization and Therapy Monitoring using Simultaneous PET/MRI: initial results for Lung Cancer and GvHD

Sauter, A., Schmidt, H., Gueckel, B., Brendle, C., Bezrukov, I., Mantlik, F., Kolb, A., Mueller, M., Reimold, M., Federmann, B., Hetzel, J., Claussen, C., Pfannenberg, C., Horger, M., Pichler, B., Schwenzer, N.

(T110), 2011 World Molecular Imaging Congress (WMIC), September 2011 (talk)

Abstract
Hybrid imaging modalities such as [18F]FDG-PET/CT are superior in staging of e.g. lung cancer disease compared with stand-alone modalities. Clinical PET/MRI systems are about to enter the field of hybrid imaging and offer potential advantages. One added value could be a deeper insight into the tumor metabolism and tumorigenesis due to the combination of PET and dedicated MR methods such as MRS and DWI. Additionally, therapy monitoring of diffucult to diagnose disease such as chronic sclerodermic GvHD (csGvHD) can potentially be improved by this combination. We have applied PET/MRI in 3 patients with lung cancer and 4 patients with csGvHD before and during therapy. All 3 patients had lung cancer confirmed by histology (2 adenocarcinoma, 1 carcinoid). First, a [18F]FDG-PET/CT was performed with the following parameters: injected dose 351.7±25.1 MBq, uptake time 59.0±2.6 min, 3 min/bed. Subsequently, patients were brought to the PET/MRI imaging facility. The whole-body PET/MRI Biograph mMR system comprises 56 detector cassettes with a 59.4 cm transaxial and 25.8 cm axial FoV. The MRI is a modified Verio system with a magnet bore of 60 cm. The following parameters for PET acquisition were applied: uptake time 121.3±2.3 min, 3 bed positions, 6 min/bed. T1w, T2w, and DWI MR images were recorded simultaneously for each bed. Acquired PET data were reconstructed with an iterative 3D OSEM algorithm using 3 iterations and 21 subsets, Gaussian filter of 3 mm. The 4 patients with GvHD were brought to the brainPET/MRI imaging facility 2:10h-2:28h after tracer injection. A 9 min brainPET-acquisition with simultaneous MRI of the lower extremities was accomplished. MRI examination included T1-weighted (pre and post gadolinium) and T2-weighted sequences. Attenuation correction was calculated based on manual bone segmentation and thresholds for soft tissue, fat and air. Soleus muscle (m), crural fascia (f1) and posterior crural intermuscular septum fascia (f2) were surrounded with ROIs based on the pre-treatment T1-weighted images and coregistered using IRW (Siemens). Fascia-to-muscle ratios for PET (f/m), T1 contrast uptake (T1_post-contrast_f-pre-contrast_f/post-contrast_m-pre-contrast_m) and T2 (T2_f/m) were calculated. Both patients with adenocarcinoma show a lower ADC value compared with the carcinoid patient suggesting a higher cellularity. This is also reflected in FDG-PET with higher SUV values. Our initial results reveal that PET/MRI can provide complementary information for a profound tumor characterization and therapy monitoring. The high soft tissue contrast provided by MRI is valuable for the assessment of the fascial inflammation. While in the first patient FDG and contrast uptake as well as edema, represented by T2 signals, decreased with ongoing therapy, all parameters remained comparatively stable in the second patient. Contrary to expectations, an increase in FDG uptake of patient 3 and 4 was accompanied by an increase of the T2 signals, but a decrease in contrast uptake. These initial results suggest that PET/MRI provides complementary information of the complex disease mechanisms in fibrosing disorders.

ei

Web [BibTex]

Web [BibTex]


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Statistical Image Analysis and Percolation Theory

Langovoy, M., Habeck, M., Schölkopf, B.

2011 Joint Statistical Meetings (JSM), August 2011 (talk)

Abstract
We develop a novel method for detection of signals and reconstruction of images in the presence of random noise. The method uses results from percolation theory. We specifically address the problem of detection of multiple objects of unknown shapes in the case of nonparametric noise. The noise density is unknown and can be heavy-tailed. The objects of interest have unknown varying intensities. No boundary shape constraints are imposed on the objects, only a set of weak bulk conditions is required. We view the object detection problem as hypothesis testing for discrete statistical inverse problems. We present an algorithm that allows to detect greyscale objects of various shapes in noisy images. We prove results on consistency and algorithmic complexity of our procedures. Applications to cryo-electron microscopy are presented.

ei

Web [BibTex]

Web [BibTex]


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Statistical Learning Theory: Models, Concepts, and Results

von Luxburg, U., Schölkopf, B.

In Handbook of the History of Logic, Vol. 10: Inductive Logic, 10, pages: 651-706, (Editors: Gabbay, D. M., Hartmann, S. and Woods, J. H.), Elsevier North Holland, Amsterdam, Netherlands, May 2011 (inbook)

Abstract
Statistical learning theory provides the theoretical basis for many of today's machine learning algorithms and is arguably one of the most beautifully developed branches of artificial intelligence in general. It originated in Russia in the 1960s and gained wide popularity in the 1990s following the development of the so-called Support Vector Machine (SVM), which has become a standard tool for pattern recognition in a variety of domains ranging from computer vision to computational biology. Providing the basis of new learning algorithms, however, was not the only motivation for developing statistical learning theory. It was just as much a philosophical one, attempting to answer the question of what it is that allows us to draw valid conclusions from empirical data. In this article we attempt to give a gentle, non-technical overview over the key ideas and insights of statistical learning theory. We do not assume that the reader has a deep background in mathematics, statistics, or computer science. Given the nature of the subject matter, however, some familiarity with mathematical concepts and notations and some intuitive understanding of basic probability is required. There exist many excellent references to more technical surveys of the mathematics of statistical learning theory: the monographs by one of the founders of statistical learning theory ([Vapnik, 1995], [Vapnik, 1998]), a brief overview over statistical learning theory in Section 5 of [Sch{\"o}lkopf and Smola, 2002], more technical overview papers such as [Bousquet et al., 2003], [Mendelson, 2003], [Boucheron et al., 2005], [Herbrich and Williamson, 2002], and the monograph [Devroye et al., 1996].

ei

PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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Cooperative Cuts

Jegelka, S.

COSA Workshop: Combinatorial Optimization, Statistics, and Applications, March 2011 (talk)

Abstract
Combinatorial problems with submodular cost functions have recently drawn interest. In a standard combinatorial problem, the sum-of-weights cost is replaced by a submodular set function. The result is a powerful model that is though very hard. In this talk, I will introduce cooperative cuts, minimum cuts with submodular edge weights. I will outline methods to approximately solve this problem, and show an application in computer vision. If time permits, the talk will also sketch regret-minimizing online algorithms for submodular-cost combinatorial problems. This is joint work with Jeff Bilmes (University of Washington).

ei

Web [BibTex]

Web [BibTex]


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Robot Learning

Peters, J., Tedrake, R., Roy, N., Morimoto, J.

In Encyclopedia of Machine Learning, pages: 865-869, Encyclopedia of machine learning, (Editors: Sammut, C. and Webb, G. I.), Springer, New York, NY, USA, January 2011 (inbook)

ei

PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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What You Expect Is What You Get? Potential Use of Contingent Negative Variation for Passive BCI Systems in Gaze-Based HCI

Ihme, K., Zander, TO.

In Affective Computing and Intelligent Interaction, 6975, pages: 447-456, Lecture Notes in Computer Science, (Editors: D’Mello, S., Graesser, A., Schuller, B. and Martin, J.-C.), Springer, Berlin, Germany, 2011 (inbook)

Abstract
When using eye movements for cursor control in human-computer interaction (HCI), it may be difficult to find an appropriate substitute for the click operation. Most approaches make use of dwell times. However, in this context the so-called Midas-Touch-Problem occurs which means that the system wrongly interprets fixations due to long processing times or spontaneous dwellings of the user as command. Lately it has been shown that brain-computer interface (BCI) input bears good prospects to overcome this problem using imagined hand movements to elicit a selection. The current approach tries to develop this idea further by exploring potential signals for the use in a passive BCI, which would have the advantage that the brain signals used as input are generated automatically without conscious effort of the user. To explore event-related potentials (ERPs) giving information about the user’s intention to select an object, 32-channel electroencephalography (EEG) was recorded from ten participants interacting with a dwell-time-based system. Comparing ERP signals during the dwell time with those occurring during fixations on a neutral cross hair, a sustained negative slow cortical potential at central electrode sites was revealed. This negativity might be a contingent negative variation (CNV) reflecting the participants’ anticipation of the upcoming selection. Offline classification suggests that the CNV is detectable in single trial (mean accuracy 74.9 %). In future, research on the CNV should be accomplished to ensure its stable occurence in human-computer interaction and render possible its use as a potential substitue for the click operation.

ei

DOI [BibTex]

DOI [BibTex]


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Kernel Methods in Bioinformatics

Borgwardt, KM.

In Handbook of Statistical Bioinformatics, pages: 317-334, Springer Handbooks of Computational Statistics ; 3, (Editors: Lu, H.H.-S., Schölkopf, B. and Zhao, H.), Springer, Berlin, Germany, 2011 (inbook)

Abstract
Kernel methods have now witnessed more than a decade of increasing popularity in the bioinformatics community. In this article, we will compactly review this development, examining the areas in which kernel methods have contributed to computational biology and describing the reasons for their success.

ei

PDF DOI [BibTex]

PDF DOI [BibTex]


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Cue Combination: Beyond Optimality

Rosas, P., Wichmann, F.

In Sensory Cue Integration, pages: 144-152, (Editors: Trommershäuser, J., Körding, K. and Landy, M. S.), Oxford University Press, 2011 (inbook)

ei

[BibTex]

[BibTex]


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Automated Control of AFM Based Nanomanipulation

Xie, H., Onal, C., Régnier, S., Sitti, M.

In Atomic Force Microscopy Based Nanorobotics, pages: 237-311, Springer Berlin Heidelberg, 2011 (incollection)

pi

[BibTex]

[BibTex]


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Teleoperation Based AFM Manipulation Control

Xie, H., Onal, C., Régnier, S., Sitti, M.

In Atomic Force Microscopy Based Nanorobotics, pages: 145-235, Springer Berlin Heidelberg, 2011 (incollection)

pi

[BibTex]

[BibTex]


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Descriptions and challenges of AFM based nanorobotic systems

Xie, H., Onal, C., Régnier, S., Sitti, M.

In Atomic Force Microscopy Based Nanorobotics, pages: 13-29, Springer Berlin Heidelberg, 2011 (incollection)

pi

[BibTex]

[BibTex]


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Tipping the Scales: Guidance and Intrinsically Motivated Behavior

Martius, G., Herrmann, J. M.

In Advances in Artificial Life, ECAL 2011, pages: 506-513, (Editors: Tom Lenaerts and Mario Giacobini and Hugues Bersini and Paul Bourgine and Marco Dorigo and René Doursat), MIT Press, 2011 (incollection)

al

[BibTex]

[BibTex]


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Benchmark datasets for pose estimation and tracking

Andriluka, M., Sigal, L., Black, M. J.

In Visual Analysis of Humans: Looking at People, pages: 253-274, (Editors: Moesland and Hilton and Kr"uger and Sigal), Springer-Verlag, London, 2011 (incollection)

ps

publisher's site Project Page [BibTex]

publisher's site Project Page [BibTex]


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Applications of AFM Based Nanorobotic Systems

Xie, H., Onal, C., Régnier, S., Sitti, M.

In Atomic Force Microscopy Based Nanorobotics, pages: 313-342, Springer Berlin Heidelberg, 2011 (incollection)

pi

[BibTex]

[BibTex]


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Steerable random fields for image restoration and inpainting

Roth, S., Black, M. J.

In Markov Random Fields for Vision and Image Processing, pages: 377-387, (Editors: Blake, A. and Kohli, P. and Rother, C.), MIT Press, 2011 (incollection)

Abstract
This chapter introduces the concept of a Steerable Random Field (SRF). In contrast to traditional Markov random field (MRF) models in low-level vision, the random field potentials of a SRF are defined in terms of filter responses that are steered to the local image structure. This steering uses the structure tensor to obtain derivative responses that are either aligned with, or orthogonal to, the predominant local image structure. Analysis of the statistics of these steered filter responses in natural images leads to the model proposed here. Clique potentials are defined over steered filter responses using a Gaussian scale mixture model and are learned from training data. The SRF model connects random fields with anisotropic regularization and provides a statistical motivation for the latter. Steering the random field to the local image structure improves image denoising and inpainting performance compared with traditional pairwise MRFs.

ps

publisher site [BibTex]

publisher site [BibTex]


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Nanomechanics of AFM based nanomanipulation

Xie, H., Onal, C., Régnier, S., Sitti, M.

In Atomic Force Microscopy Based Nanorobotics, pages: 87-143, Springer Berlin Heidelberg, 2011 (incollection)

pi

[BibTex]

[BibTex]


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Instrumentation Issues of an AFM Based Nanorobotic System

Xie, H., Onal, C., Régnier, S., Sitti, M.

In Atomic Force Microscopy Based Nanorobotics, pages: 31-86, Springer Berlin Heidelberg, 2011 (incollection)

pi

[BibTex]

[BibTex]


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Projected Newton-type methods in machine learning

Schmidt, M., Kim, D., Sra, S.

In Optimization for Machine Learning, pages: 305-330, MIT Press, Cambridge, MA, USA, 2011 (incollection)

Abstract
{We consider projected Newton-type methods for solving large-scale optimization problems arising in machine learning and related fields. We first introduce an algorithmic framework for projected Newton-type methods by reviewing a canonical projected (quasi-)Newton method. This method, while conceptually pleasing, has a high computation cost per iteration. Thus, we discuss two variants that are more scalable, namely, two-metric projection and inexact projection methods. Finally, we show how to apply the Newton-type framework to handle non-smooth objectives. Examples are provided throughout the chapter to illustrate machine learning applications of our framework.}

mms

link (url) [BibTex]

link (url) [BibTex]

2006


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A Kernel Method for the Two-Sample-Problem

Gretton, A., Borgwardt, K., Rasch, M., Schölkopf, B., Smola, A.

20th Annual Conference on Neural Information Processing Systems (NIPS), December 2006 (talk)

Abstract
We propose two statistical tests to determine if two samples are from different distributions. Our test statistic is in both cases the distance between the means of the two samples mapped into a reproducing kernel Hilbert space (RKHS). The first test is based on a large deviation bound for the test statistic, while the second is based on the asymptotic distribution of this statistic. We show that the test statistic can be computed in $O(m^2)$ time. We apply our approach to a variety of problems, including attribute matching for databases using the Hungarian marriage method, where our test performs strongly. We also demonstrate excellent performance when comparing distributions over graphs, for which no alternative tests currently exist.

ei

PDF [BibTex]

2006


PDF [BibTex]


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Ab-initio gene finding using machine learning

Schweikert, G., Zeller, G., Zien, A., Ong, C., de Bona, F., Sonnenburg, S., Phillips, P., Rätsch, G.

NIPS Workshop on New Problems and Methods in Computational Biology, December 2006 (talk)

ei

Web [BibTex]

Web [BibTex]


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Graph boosting for molecular QSAR analysis

Saigo, H., Kadowaki, T., Kudo, T., Tsuda, K.

NIPS Workshop on New Problems and Methods in Computational Biology, December 2006 (talk)

Abstract
We propose a new boosting method that systematically combines graph mining and mathematical programming-based machine learning. Informative and interpretable subgraph features are greedily found by a series of graph mining calls. Due to our mathematical programming formulation, subgraph features and pre-calculated real-valued features are seemlessly integrated. We tested our algorithm on a quantitative structure-activity relationship (QSAR) problem, which is basically a regression problem when given a set of chemical compounds. In benchmark experiments, the prediction accuracy of our method favorably compared with the best results reported on each dataset.

ei

Web [BibTex]

Web [BibTex]


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Inferring Causal Directions by Evaluating the Complexity of Conditional Distributions

Sun, X., Janzing, D., Schölkopf, B.

NIPS Workshop on Causality and Feature Selection, December 2006 (talk)

Abstract
We propose a new approach to infer the causal structure that has generated the observed statistical dependences among n random variables. The idea is that the factorization of the joint measure of cause and effect into P(cause)P(effect|cause) leads typically to simpler conditionals than non-causal factorizations. To evaluate the complexity of the conditionals we have tried two methods. First, we have compared them to those which maximize the conditional entropy subject to the observed first and second moments since we consider the latter as the simplest conditionals. Second, we have fitted the data with conditional probability measures being exponents of functions in an RKHS space and defined the complexity by a Hilbert-space semi-norm. Such a complexity measure has several properties that are useful for our purpose. We describe some encouraging results with both methods applied to real-world data. Moreover, we have combined constraint-based approaches to causal discovery (i.e., methods using only information on conditional statistical dependences) with our method in order to distinguish between causal hypotheses which are equivalent with respect to the imposed independences. Furthermore, we compare the performance to Bayesian approaches to causal inference.

ei

Web [BibTex]


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Learning Optimal EEG Features Across Time, Frequency and Space

Farquhar, J., Hill, J., Schölkopf, B.

NIPS Workshop on Current Trends in Brain-Computer Interfacing, December 2006 (talk)

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Semi-Supervised Learning

Zien, A.

Advanced Methods in Sequence Analysis Lectures, November 2006 (talk)

ei

Web [BibTex]

Web [BibTex]


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Prediction of Protein Function from Networks

Shin, H., Tsuda, K.

In Semi-Supervised Learning, pages: 361-376, Adaptive Computation and Machine Learning, (Editors: Chapelle, O. , B. Schölkopf, A. Zien), MIT Press, Cambridge, MA, USA, November 2006 (inbook)

Abstract
In computational biology, it is common to represent domain knowledge using graphs. Frequently there exist multiple graphs for the same set of nodes, representing information from different sources, and no single graph is sufficient to predict class labels of unlabelled nodes reliably. One way to enhance reliability is to integrate multiple graphs, since individual graphs are partly independent and partly complementary to each other for prediction. In this chapter, we describe an algorithm to assign weights to multiple graphs within graph-based semi-supervised learning. Both predicting class labels and searching for weights for combining multiple graphs are formulated into one convex optimization problem. The graph-combining method is applied to functional class prediction of yeast proteins.When compared with individual graphs, the combined graph with optimized weights performs significantly better than any single graph.When compared with the semidefinite programming-based support vector machine (SDP/SVM), it shows comparable accuracy in a remarkably short time. Compared with a combined graph with equal-valued weights, our method could select important graphs without loss of accuracy, which implies the desirable property of integration with selectivity.

ei

Web [BibTex]

Web [BibTex]


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Discrete Regularization

Zhou, D., Schölkopf, B.

In Semi-supervised Learning, pages: 237-250, Adaptive computation and machine learning, (Editors: O Chapelle and B Schölkopf and A Zien), MIT Press, Cambridge, MA, USA, November 2006 (inbook)

Abstract
Many real-world machine learning problems are situated on finite discrete sets, including dimensionality reduction, clustering, and transductive inference. A variety of approaches for learning from finite sets has been proposed from different motivations and for different problems. In most of those approaches, a finite set is modeled as a graph, in which the edges encode pairwise relationships among the objects in the set. Consequently many concepts and methods from graph theory are adopted. In particular, the graph Laplacian is widely used. In this chapter we present a systemic framework for learning from a finite set represented as a graph. We develop discrete analogues of a number of differential operators, and then construct a discrete analogue of classical regularization theory based on those discrete differential operators. The graph Laplacian based approaches are special cases of this general discrete regularization framework. An important thing implied in this framework is that we have a wide choices of regularization on graph in addition to the widely-used graph Laplacian based one.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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A Machine Learning Approach for Determining the PET Attenuation Map from Magnetic Resonance Images

Hofmann, M., Steinke, F., Judenhofer, M., Claussen, C., Schölkopf, B., Pichler, B.

IEEE Medical Imaging Conference, November 2006 (talk)

Abstract
A promising new combination in multimodality imaging is MR-PET, where the high soft tissue contrast of Magnetic Resonance Imaging (MRI) and the functional information of Positron Emission Tomography (PET) are combined. Although many technical problems have recently been solved, it is still an open problem to determine the attenuation map from the available MR scan, as the MR intensities are not directly related to the attenuation values. One standard approach is an atlas registration where the atlas MR image is aligned with the patient MR thus also yielding an attenuation image for the patient. We also propose another approach, which to our knowledge has not been tried before: Using Support Vector Machines we predict the attenuation value directly from the local image information. We train this well-established machine learning algorithm using small image patches. Although both approaches sometimes yielded acceptable results, they also showed their specific shortcomings: The registration often fails with large deformations whereas the prediction approach is problematic when the local image structure is not characteristic enough. However, the failures often do not coincide and integration of both information sources is promising. We therefore developed a combination method extending Support Vector Machines to use not only local image structure but also atlas registered coordinates. We demonstrate the strength of this combination approach on a number of examples.

ei

[BibTex]

[BibTex]


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Semi-Supervised Support Vector Machines and Application to Spam Filtering

Zien, A.

ECML Discovery Challenge Workshop, September 2006 (talk)

Abstract
After introducing the semi-supervised support vector machine (aka TSVM for "transductive SVM"), a few popular training strategies are briefly presented. Then the assumptions underlying semi-supervised learning are reviewed. Finally, two modern TSVM optimization techniques are applied to the spam filtering data sets of the workshop; it is shown that they can achieve excellent results, if the problem of the data being non-iid can be handled properly.

ei

PDF Web [BibTex]


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Inferential Structure Determination: Probabilistic determination and validation of NMR structures

Habeck, M.

Gordon Research Conference on Computational Aspects of Biomolecular NMR, September 2006 (talk)

ei

Web [BibTex]

Web [BibTex]


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Machine Learning Algorithms for Polymorphism Detection

Schweikert, G., Zeller, G., Clark, R., Ossowski, S., Warthmann, N., Shinn, P., Frazer, K., Ecker, J., Huson, D., Weigel, D., Schölkopf, B., Rätsch, G.

2nd ISCB Student Council Symposium, August 2006 (talk)

Abstract
Analyzing resequencing array data using machine learning, we obtain a genome-wide inventory of polymorphisms in 20 wild strains of Arabidopsis thaliana, including 750,000 single nucleotide poly- morphisms (SNPs) and thousands of highly polymorphic regions and deletions. We thus provide an unprecedented resource for the study of natural variation in plants.

ei

Web [BibTex]

Web [BibTex]


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Inferential structure determination: Overview and new developments

Habeck, M.

Sixth CCPN Annual Conference: Efficient and Rapid Structure Determination by NMR, July 2006 (talk)

ei

Web [BibTex]

Web [BibTex]


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MCMC inference in (Conditionally) Conjugate Dirichlet Process Gaussian Mixture Models

Rasmussen, C., Görür, D.

ICML Workshop on Learning with Nonparametric Bayesian Methods, June 2006 (talk)

Abstract
We compare the predictive accuracy of the Dirichlet Process Gaussian mixture models using conjugate and conditionally conjugate priors and show that better density models result from using the wider class of priors. We explore several MCMC schemes exploiting conditional conjugacy and show their computational merits on several multidimensional density estimation problems.

ei

Web [BibTex]

Web [BibTex]


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Sampling for non-conjugate infinite latent feature models

Görür, D., Rasmussen, C.

(Editors: Bernardo, J. M.), 8th Valencia International Meeting on Bayesian Statistics (ISBA), June 2006 (talk)

Abstract
Latent variable models are powerful tools to model the underlying structure in data. Infinite latent variable models can be defined using Bayesian nonparametrics. Dirichlet process (DP) models constitute an example of infinite latent class models in which each object is assumed to belong to one of the, mutually exclusive, infinitely many classes. Recently, the Indian buffet process (IBP) has been defined as an extension of the DP. IBP is a distribution over sparse binary matrices with infinitely many columns which can be used as a distribution for non-exclusive features. Inference using Markov chain Monte Carlo (MCMC) in conjugate IBP models has been previously described, however requiring conjugacy restricts the use of IBP. We describe an MCMC algorithm for non-conjugate IBP models. Modelling the choice behaviour is an important topic in psychology, economics and related fields. Elimination by Aspects (EBA) is a choice model that assumes each alternative has latent features with associated weights that lead to the observed choice outcomes. We formulate a non-parametric version of EBA by using IBP as the prior over the latent binary features. We infer the features of objects that lead to the choice data by using our sampling scheme for inference.

ei

PDF [BibTex]

PDF [BibTex]


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An Inventory of Sequence Polymorphisms For Arabidopsis

Clark, R., Ossowski, S., Schweikert, G., Rätsch, G., Shinn, P., Zeller, G., Warthmann, N., Fu, G., Hinds, D., Chen, H., Frazer, K., Huson, D., Schölkopf, B., Nordborg, M., Ecker, J., Weigel, D.

17th International Conference on Arabidopsis Research, April 2006 (talk)

Abstract
We have used high-density oligonucleotide arrays to characterize common sequence variation in 20 wild strains of Arabidopsis thaliana that were chosen for maximal genetic diversity. Both strands of each possible SNP of the 119 Mb reference genome were represented on the arrays, which were hybridized with whole genome, isothermally amplified DNA to minimize ascertainment biases. Using two complementary approaches, a model based algorithm, and a newly developed machine learning method, we identified over 550,000 SNPs with a false discovery rate of ~ 0.03 (average of 1 SNP for every 216 bp of the genome). A heuristic algorithm predicted in addition ~700 highly polymorphic or deleted regions per accession. Over 700 predicted polymorphisms with major functional effects (e.g., premature stop codons, or deletions of coding sequence) were validated by dideoxy sequencing. Using this data set, we provide the first systematic description of the types of genes that harbor major effect polymorphisms in natural populations at moderate allele frequencies. The data also provide an unprecedented resource for the study of genetic variation in an experimentally tractable, multicellular model organism.

ei

[BibTex]

[BibTex]


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Combining a Filter Method with SVMs

Lal, T., Chapelle, O., Schölkopf, B.

In Feature Extraction: Foundations and Applications, Studies in Fuzziness and Soft Computing, Vol. 207, pages: 439-446, Studies in Fuzziness and Soft Computing ; 207, (Editors: I Guyon and M Nikravesh and S Gunn and LA Zadeh), Springer, Berlin, Germany, 2006 (inbook)

Abstract
Our goal for the competition (feature selection competition NIPS 2003) was to evaluate the usefulness of simple machine learning techniques. We decided to use the correlation criteria as a feature selection method and Support Vector Machines for the classification part. Here we explain how we chose the regularization parameter C of the SVM, how we determined the kernel parameter and how we estimated the number of features used for each data set. All analyzes were carried out on the training sets of the competition data. We choose the data set Arcene as an example to explain the approach step by step. In our view the point of this competition was the construction of a well performing classifier rather than the systematic analysis of a specific approach. This is why our search for the best classifier was only guided by the described methods and that we deviated from the road map at several occasions. All calculations were done with the software Spider [2004].

ei

PDF DOI [BibTex]

PDF DOI [BibTex]


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Embedded methods

Lal, T., Chapelle, O., Weston, J., Elisseeff, A.

In Feature Extraction: Foundations and Applications, pages: 137-165, Studies in Fuzziness and Soft Computing ; 207, (Editors: Guyon, I. , S. Gunn, M. Nikravesh, L. A. Zadeh), Springer, Berlin, Germany, 2006 (inbook)

Abstract
Embedded methods are a relatively new approach to feature selection. Unlike filter methods, which do not incorporate learning, and wrapper approaches, which can be used with arbitrary classifiers, in embedded methods the features selection part can not be separated from the learning part. Existing embedded methods are reviewed based on a unifying mathematical framework.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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NONLINEAR OPTICAL PROPERTIES OF CHIRAL LIQUIDS Electric-dipolar pseudoscalars in nonlinear optics

Fischer, P., Champagne, B.

In NON-LINEAR OPTICAL PROPERTIES OF MATTER: FROM MOLECULES TO CONDENSED PHASES, 1, pages: 359-381, Challenges and Advances in Computational Chemistry and Physics, 2006 (incollection)

Abstract
We give all overview of linear and nonlinear optical processes that can be specific to chiral molecules in isotropic media. Specifically, we discuss the pseudoscalars that underlie nonlinear optical activity and chiral frequency conversion processes in fluids. We show that nonlinear optical techniques open entirely new ways of exploring chirality: Sum-frequency-generation (SFG) at second-order and BioCARS at fourth-order arise in the electric-dipole approximation and do not require circularly polarized light to detect chiral molecules in solution. Here the frequency conversion in itself is a measure of chirality. This is in contrast to natural optical activity phenomena which are based on the interference of radiation from induced oscillating electric and magnetic dipoles, and which are observed as a differential response to right and left circularly polarized light. We give examples from our SFG experiments in optically active solutions and show how the application of an additional static electric field to sum-frequency generation allows the absolute configuration of the chiral solute to be determined via all electric-dipolar process. Results from ab initio calculations of the SFG pseudoscalar are presented for a number of chiral molecules

pf

[BibTex]

[BibTex]


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Approximate nearest neighbor regression in very high dimensions

Vijayakumar, S., DSouza, A., Schaal, S.

In Nearest-Neighbor Methods in Learning and Vision, pages: 103-142, (Editors: Shakhnarovich, G.;Darrell, T.;Indyk, P.), Cambridge, MA: MIT Press, 2006, clmc (inbook)

am

link (url) [BibTex]

link (url) [BibTex]

2003


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Statistical Learning Theory

Bousquet, O.

Machine Learning Summer School, August 2003 (talk)

ei

PDF [BibTex]

2003


PDF [BibTex]


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Remarks on Statistical Learning Theory

Bousquet, O.

Machine Learning Summer School, August 2003 (talk)

ei

PDF [BibTex]

PDF [BibTex]


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Rademacher and Gaussian averages in Learning Theory

Bousquet, O.

Universite de Marne-la-Vallee, March 2003 (talk)

ei

PDF [BibTex]

PDF [BibTex]


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Introduction: Robots with Cognition?

Franz, MO.

6, pages: 38, (Editors: H.H. Bülthoff, K.R. Gegenfurtner, H.A. Mallot, R. Ulrich, F.A. Wichmann), 6. T{\"u}binger Wahrnehmungskonferenz (TWK), February 2003 (talk)

Abstract
Using robots as models of cognitive behaviour has a long tradition in robotics. Parallel to the historical development in cognitive science, one observes two major, subsequent waves in cognitive robotics. The first is based on ideas of classical, cognitivist Artificial Intelligence (AI). According to the AI view of cognition as rule-based symbol manipulation, these robots typically try to extract symbolic descriptions of the environment from their sensors that are used to update a common, global world representation from which, in turn, the next action of the robot is derived. The AI approach has been successful in strongly restricted and controlled environments requiring well-defined tasks, e.g. in industrial assembly lines. AI-based robots mostly failed, however, in the unpredictable and unstructured environments that have to be faced by mobile robots. This has provoked the second wave in cognitive robotics which tries to achieve cognitive behaviour as an emergent property from the interaction of simple, low-level modules. Robots of the second wave are called animats as their architecture is designed to closely model aspects of real animals. Using only simple reactive mechanisms and Hebbian-type or evolutionary learning, the resulting animats often outperformed the highly complex AI-based robots in tasks such as obstacle avoidance, corridor following etc. While successful in generating robust, insect-like behaviour, typical animats are limited to stereotyped, fixed stimulus-response associations. If one adopts the view that cognition requires a flexible, goal-dependent choice of behaviours and planning capabilities (H.A. Mallot, Kognitionswissenschaft, 1999, 40-48) then it appears that cognitive behaviour cannot emerge from a collection of purely reactive modules. It rather requires environmentally decoupled structures that work without directly engaging the actions that it is concerned with. This poses the current challenge to cognitive robotics: How can we build cognitive robots that show the robustness and the learning capabilities of animats without falling back into the representational paradigm of AI? The speakers of the symposium present their approaches to this question in the context of robot navigation and sensorimotor learning. In the first talk, Prof. Helge Ritter introduces a robot system for imitation learning capable of exploring various alternatives in simulation before actually performing a task. The second speaker, Angelo Arleo, develops a model of spatial memory in rat navigation based on his electrophysiological experiments. He validates the model on a mobile robot which, in some navigation tasks, shows a performance comparable to that of the real rat. A similar model of spatial memory is used to investigate the mechanisms of territory formation in a series of robot experiments presented by Prof. Hanspeter Mallot. In the last talk, we return to the domain of sensorimotor learning where Ralf M{\"o}ller introduces his approach to generate anticipatory behaviour by learning forward models of sensorimotor relationships.

ei

Web [BibTex]

Web [BibTex]