Header logo is


2018


Thumb xl stco paper figure11
Probabilistic Solutions To Ordinary Differential Equations As Non-Linear Bayesian Filtering: A New Perspective

Tronarp, F., Kersting, H., Särkkä, S., Hennig, P.

ArXiv preprint 2018, arXiv:1810.03440 [stat.ME], October 2018 (article)

Abstract
We formulate probabilistic numerical approximations to solutions of ordinary differential equations (ODEs) as problems in Gaussian process (GP) regression with non-linear measurement functions. This is achieved by defining the measurement sequence to consists of the observations of the difference between the derivative of the GP and the vector field evaluated at the GP---which are all identically zero at the solution of the ODE. When the GP has a state-space representation, the problem can be reduced to a Bayesian state estimation problem and all widely-used approximations to the Bayesian filtering and smoothing problems become applicable. Furthermore, all previous GP-based ODE solvers, which were formulated in terms of generating synthetic measurements of the vector field, come out as specific approximations. We derive novel solvers, both Gaussian and non-Gaussian, from the Bayesian state estimation problem posed in this paper and compare them with other probabilistic solvers in illustrative experiments.

pn

link (url) Project Page [BibTex]

2018



no image
Kernel Recursive ABC: Point Estimation with Intractable Likelihood

Kajihara, T., Kanagawa, M., Yamazaki, K., Fukumizu, K.

Proceedings of the 35th International Conference on Machine Learning, pages: 2405-2414, PMLR, July 2018 (conference)

Abstract
We propose a novel approach to parameter estimation for simulator-based statistical models with intractable likelihood. Our proposed method involves recursive application of kernel ABC and kernel herding to the same observed data. We provide a theoretical explanation regarding why the approach works, showing (for the population setting) that, under a certain assumption, point estimates obtained with this method converge to the true parameter, as recursion proceeds. We have conducted a variety of numerical experiments, including parameter estimation for a real-world pedestrian flow simulator, and show that in most cases our method outperforms existing approaches.

pn

Paper [BibTex]

Paper [BibTex]


no image
Convergence Rates of Gaussian ODE Filters

Kersting, H., Sullivan, T. J., Hennig, P.

arXiv preprint 2018, arXiv:1807.09737 [math.NA], July 2018 (article)

Abstract
A recently-introduced class of probabilistic (uncertainty-aware) solvers for ordinary differential equations (ODEs) applies Gaussian (Kalman) filtering to initial value problems. These methods model the true solution $x$ and its first $q$ derivatives a priori as a Gauss--Markov process $\boldsymbol{X}$, which is then iteratively conditioned on information about $\dot{x}$. We prove worst-case local convergence rates of order $h^{q+1}$ for a wide range of versions of this Gaussian ODE filter, as well as global convergence rates of order $h^q$ in the case of $q=1$ and an integrated Brownian motion prior, and analyse how inaccurate information on $\dot{x}$ coming from approximate evaluations of $f$ affects these rates. Moreover, we present explicit formulas for the steady states and show that the posterior confidence intervals are well calibrated in all considered cases that exhibit global convergence---in the sense that they globally contract at the same rate as the truncation error.

pn

link (url) Project Page [BibTex]

link (url) Project Page [BibTex]


no image
Gaussian Processes and Kernel Methods: A Review on Connections and Equivalences

Kanagawa, M., Hennig, P., Sejdinovic, D., Sriperumbudur, B. K.

Arxiv e-prints, arXiv:1805.08845v1 [stat.ML], 2018 (article)

Abstract
This paper is an attempt to bridge the conceptual gaps between researchers working on the two widely used approaches based on positive definite kernels: Bayesian learning or inference using Gaussian processes on the one side, and frequentist kernel methods based on reproducing kernel Hilbert spaces on the other. It is widely known in machine learning that these two formalisms are closely related; for instance, the estimator of kernel ridge regression is identical to the posterior mean of Gaussian process regression. However, they have been studied and developed almost independently by two essentially separate communities, and this makes it difficult to seamlessly transfer results between them. Our aim is to overcome this potential difficulty. To this end, we review several old and new results and concepts from either side, and juxtapose algorithmic quantities from each framework to highlight close similarities. We also provide discussions on subtle philosophical and theoretical differences between the two approaches.

pn

arXiv [BibTex]

arXiv [BibTex]


no image
Transmission x-ray microscopy at low temperatures: Irregular supercurrent flow at small length scales

Simmendinger, J., Ruoss, S., Stahl, C., Weigand, M., Gräfe, J., Schütz, G., Albrecht, J.

{Physical Review B}, 97(13), American Physical Society, Woodbury, NY, 2018 (article)

mms

DOI [BibTex]

DOI [BibTex]


Thumb xl tease pic
Dissecting Adam: The Sign, Magnitude and Variance of Stochastic Gradients

Balles, L., Hennig, P.

In Proceedings of the 35th International Conference on Machine Learning (ICML), 2018 (inproceedings) Accepted

Abstract
The ADAM optimizer is exceedingly popular in the deep learning community. Often it works very well, sometimes it doesn't. Why? We interpret ADAM as a combination of two aspects: for each weight, the update direction is determined by the sign of stochastic gradients, whereas the update magnitude is determined by an estimate of their relative variance. We disentangle these two aspects and analyze them in isolation, gaining insight into the mechanisms underlying ADAM. This analysis also extends recent results on adverse effects of ADAM on generalization, isolating the sign aspect as the problematic one. Transferring the variance adaptation to SGD gives rise to a novel method, completing the practitioner's toolbox for problems where ADAM fails.

pn

link (url) Project Page [BibTex]

link (url) Project Page [BibTex]


no image
Counterfactual Mean Embedding: A Kernel Method for Nonparametric Causal Inference

Muandet, K., Kanagawa, M., Saengkyongam, S., Marukata, S.

Arxiv e-prints, arXiv:1805.08845v1 [stat.ML], 2018 (article)

Abstract
This paper introduces a novel Hilbert space representation of a counterfactual distribution---called counterfactual mean embedding (CME)---with applications in nonparametric causal inference. Counterfactual prediction has become an ubiquitous tool in machine learning applications, such as online advertisement, recommendation systems, and medical diagnosis, whose performance relies on certain interventions. To infer the outcomes of such interventions, we propose to embed the associated counterfactual distribution into a reproducing kernel Hilbert space (RKHS) endowed with a positive definite kernel. Under appropriate assumptions, the CME allows us to perform causal inference over the entire landscape of the counterfactual distribution. The CME can be estimated consistently from observational data without requiring any parametric assumption about the underlying distributions. We also derive a rate of convergence which depends on the smoothness of the conditional mean and the Radon-Nikodym derivative of the underlying marginal distributions. Our framework can deal with not only real-valued outcome, but potentially also more complex and structured outcomes such as images, sequences, and graphs. Lastly, our experimental results on off-policy evaluation tasks demonstrate the advantages of the proposed estimator.

ei pn

arXiv [BibTex]

arXiv [BibTex]


no image
Model-based Kernel Sum Rule: Kernel Bayesian Inference with Probabilistic Models

Nishiyama, Y., Kanagawa, M., Gretton, A., Fukumizu, K.

Arxiv e-prints, arXiv:1409.5178v2 [stat.ML], 2018 (article)

Abstract
Kernel Bayesian inference is a powerful nonparametric approach to performing Bayesian inference in reproducing kernel Hilbert spaces or feature spaces. In this approach, kernel means are estimated instead of probability distributions, and these estimates can be used for subsequent probabilistic operations (as for inference in graphical models) or in computing the expectations of smooth functions, for instance. Various algorithms for kernel Bayesian inference have been obtained by combining basic rules such as the kernel sum rule (KSR), kernel chain rule, kernel product rule and kernel Bayes' rule. However, the current framework only deals with fully nonparametric inference (i.e., all conditional relations are learned nonparametrically), and it does not allow for flexible combinations of nonparametric and parametric inference, which are practically important. Our contribution is in providing a novel technique to realize such combinations. We introduce a new KSR referred to as the model-based KSR (Mb-KSR), which employs the sum rule in feature spaces under a parametric setting. Incorporating the Mb-KSR into existing kernel Bayesian framework provides a richer framework for hybrid (nonparametric and parametric) kernel Bayesian inference. As a practical application, we propose a novel filtering algorithm for state space models based on the Mb-KSR, which combines the nonparametric learning of an observation process using kernel mean embedding and the additive Gaussian noise model for a state transition process. While we focus on additive Gaussian noise models in this study, the idea can be extended to other noise models, such as the Cauchy and alpha-stable noise models.

pn

arXiv [BibTex]

arXiv [BibTex]


no image
Assessment methodology of promising porous materials for near ambient temperature hydrogen storage applications

Minuto, F. D., Balderas-Xicohténcatl, R., Policicchio, A., Hirscher, M., Agostino, R. G.

{International Journal of Hydrogen Energy}, 43(31):14550-14556, Elsevier, Amsterdam, 2018 (article)

mms

DOI [BibTex]

DOI [BibTex]


Thumb xl hp teaser
A probabilistic model for the numerical solution of initial value problems

Schober, M., Särkkä, S., Philipp Hennig,

Statistics and Computing, Springer US, 2018 (article)

Abstract
We study connections between ordinary differential equation (ODE) solvers and probabilistic regression methods in statistics. We provide a new view of probabilistic ODE solvers as active inference agents operating on stochastic differential equation models that estimate the unknown initial value problem (IVP) solution from approximate observations of the solution derivative, as provided by the ODE dynamics. Adding to this picture, we show that several multistep methods of Nordsieck form can be recast as Kalman filtering on q-times integrated Wiener processes. Doing so provides a family of IVP solvers that return a Gaussian posterior measure, rather than a point estimate. We show that some such methods have low computational overhead, nontrivial convergence order, and that the posterior has a calibrated concentration rate. Additionally, we suggest a step size adaptation algorithm which completes the proposed method to a practically useful implementation, which we experimentally evaluate using a representative set of standard codes in the DETEST benchmark set.

pn

PDF Code DOI Project Page [BibTex]


no image
Incorporation of Terbium into a Microalga Leads to Magnetotactic Swimmers

Santomauro, G., Singh, A., Park, B. W., Mohammadrahimi, M., Erkoc, P., Goering, E., Schütz, G., Sitti, M., Bill, J.

Advanced Biosystems, 2(12):1800039, 2018 (article)

mms pi

[BibTex]

[BibTex]


no image
Thermodynamics, kinetics and selectivity of H2 and D2 on zeolite 5A below 77K

Xiong, R., Balderas-Xicohténcatl, R., Zhang, L., Li, P., Yao, Y., Sang, G., Chen, C., Tang, T., Luo, D., Hirscher, M.

{Microporous and Mesoporous Materials}, 264, pages: 22-27, Elsevier, Amsterdam, 2018 (article)

mms

DOI [BibTex]

DOI [BibTex]


no image
Volumetric hydrogen storage capacity in metal-organic frameworks

Balderas-Xicohténcatl, R., Schlichtenmayer, M., Hirscher, M.

{Energy Technology}, 6(3):578-582, Wiley-VCH, Weinheim, 2018 (article)

mms

DOI [BibTex]

DOI [BibTex]


no image
Probabilistic Approaches to Stochastic Optimization

Mahsereci, M.

Eberhard Karls Universität Tübingen, Germany, 2018 (phdthesis)

ei pn

link (url) Project Page [BibTex]

link (url) Project Page [BibTex]


no image
3D nanoprinted plastic kinoform x-ray optics

Sanli, U. T., Ceylan, H., Bykova, I., Weigand, M., Sitti, M., Schütz, G., Keskinbora, K.

{Advanced Materials}, 30(36), Wiley-VCH, Weinheim, 2018 (article)

mms pi

DOI [BibTex]

DOI [BibTex]


no image
High volumetric hydrogen storage capacity using interpenetrated metal-organic frameworks

Balderas-Xicohténcatl, R., Schmieder, P., Denysenko, D., Volkmer, D., Hirscher, M.

{Energy Technology}, 6(3):510-512, Wiley-VCH, Weinheim, 2018 (article)

mms

DOI [BibTex]

DOI [BibTex]


no image
Probabilistic Ordinary Differential Equation Solvers — Theory and Applications

Schober, M.

Eberhard Karls Universität Tübingen, Germany, 2018 (phdthesis)

ei pn

[BibTex]

[BibTex]


no image
Thick permalloy films for the imaging of spin texture dynamics in perpendicularly magnetized systems

Finizio, S., Wintz, S., Bracher, D., Kirk, E., Semisalova, A. S., Förster, J., Zeissler, K., We\ssels, T., Weigand, M., Lenz, K., Kleibert, A., Raabe, J.

{Physical Review B}, 98(10), American Physical Society, Woodbury, NY, 2018 (article)

mms

DOI [BibTex]

DOI [BibTex]


no image
Dynamic Janus metasurfaces in the visible spectral region

Yu, P., Li, J., Zhang, S., Jin, Z., Schütz, G., Qiu, C., Hirscher, M., Liu, N.

{Nano Letters}, 18(7):4584-4589, American Chemical Society, Washington, DC, 2018 (article)

mms

DOI [BibTex]

DOI [BibTex]


no image
Review of ultrafast demagnetization after femtosecond laser pulses: A complex interaction of light with quantum matter

Fähnle, M., Haag, M., Illg, C., Müller, B. Y., Weng, W., Tsatsoulis, T., Huang, H., Briones Paz, J. Z., Teeny, N., Zhang, L., Kuhn, T.

{American Journal of Modern Physics}, 7(2):68-74, Science Publishing Group, New York, NY, 2018 (article)

mms

DOI [BibTex]

DOI [BibTex]


no image
Direct observation of Zhang-Li torque expansion of magnetic droplet solitons

Chung, S., Tuan Le, Q., Ahlberg, M., Awad, A. A., Weigand, M., Bykova, I., Khymyn, R., Dvornik, M., Mazraati, H., Houshang, A., Jiang, S., Nguyen, T. N. A., Goering, E., Schütz, G., Gräfe, J., \AAkerman, J.

{Physical Review Letters}, 120(21), American Physical Society, Woodbury, N.Y., 2018 (article)

mms

DOI [BibTex]

DOI [BibTex]


no image
XMCD investigations on new hard magnetic systems

Chen, Y.

Universität Stuttgart, Stuttgart, 2018 (phdthesis)

mms

link (url) DOI [BibTex]

link (url) DOI [BibTex]


no image
Current-induced skyrmion generation through morphological thermal transitions in chiral ferromagnetic heterostructures

Lemesh, I., Litzius, K., Böttcher, M., Bassirian, P., Kerber, N., Heinze, D., Zázvorka, J., Büttner, F., Caretta, L., Mann, M., Weigand, M., Finizio, S., Raabe, J., Im, M., Stoll, H., Schütz, G., Dupé, B., Kläui, M., Beach, G. S. D.

{Advanced Materials}, 30(49), Wiley-VCH, Weinheim, 2018 (article)

mms

DOI [BibTex]

DOI [BibTex]


no image
Direct observations of sub-100 nm spin wave propagation in magnonic wave-guides

Träger, N., Gruszecki, P., Lisiecki, F., Förster, J., Weigand, M., Kuswik, P., Dubowik, J., Schütz, G., Krawczyk, M., Gräfe, J.

In 2018 IEEE International Magnetics Conference (INTERMAG 2018), IEEE, Singapore, 2018 (inproceedings)

mms

DOI [BibTex]

DOI [BibTex]


no image
Emission and propagation of multi-dimensional spin waves in anisotropic spin textures

Sluka, V., Schneider, T., Gallardo, R. A., Kakay, A., Weigand, M., Warnatz, T., Mattheis, R., Roldan-Molina, A., Landeros, P., Tiberkevich, V., Slavin, A., Schütz, G., Erbe, A., Deac, A., Lindner, J., Raabe, J., Fassbender, J., Wintz, S.

2018 (misc)

mms

link (url) [BibTex]

link (url) [BibTex]


no image
3d nanofabrication of high-resolution multilayer Fresnel zone plates

Sanli, U. T., Jiao, C., Baluktsian, M., Grévent, C., Hahn, K., Wang, Y., Srot, V., Richter, G., Bykova, I., Weigand, M., Schütz, G., Keskinbora, K.

{Advanced Science}, 5(9), Wiley-VCH, Weinheim, 2018 (article)

mms

DOI [BibTex]

DOI [BibTex]


no image
Photocatalytic CO2 reduction by Cr-substituted Ba2(In2-xCrx)O5\mbox⋅(H2O)δ(0.04 ≤x ≤0.60)

Yoon, S., Gaul, M., Sharma, S., Son, K., Hagemann, H., Ziegenbalg, D., Schwingenschlogl, U., Widenmeyer, M., Weidenkaff, A.

{Solid State Sciences}, 78, pages: 22-29, Elsevier Masson SAS, Paris, 2018 (article)

mms

DOI [BibTex]

DOI [BibTex]


no image
Correction of axial position uncertainty and systematic detector errors in ptychographic diffraction imaging

Loetgering, L., Rose, M., Keskinbora, K., Baluktsian, M., Dogan, G., Sanli, U., Bykova, I., Weigand, M., Schütz, G., Wilhein, T.

{Optical Engineering}, 57(8), The Society, Redondo Beach, Calif., 2018 (article)

mms

DOI [BibTex]

DOI [BibTex]


no image
The role of surface oxides on hydrogen sorption kinetics in titanium thin films

Hadjixenophontos, E., Michalek, L., Roussel, M., Hirscher, M., Schmitz, G.

{Applied Surface Science}, 441, pages: 324-330, Elsevier B.V., Amsterdam, 2018 (article)

mms

DOI [BibTex]

DOI [BibTex]


no image
Ferromagnetism in nitrogen and fluorine substituted BaTiO3

Yoon, S., Son, K., Ebbinghaus, S. G., Widenmeyer, M., Weidenkaff, A.

{Journal of Alloys and Compounds}, 749, pages: 628-633, Elsevier B.V., Lausanne, Switzerland, 2018 (article)

mms

DOI [BibTex]

DOI [BibTex]


no image
New concepts for 3d optics in x-ray microscopy

Sanli, U., Ceylan, H., Jiao, C., Baluktsian, M., Grevent, C., Hahn, K., Wang, Y., Srot, V., Richter, G., Bykova, I., Weigand, M., Sitti, M., Schütz, G., Keskinbora, K.

{Microscopy and Microanalysis}, 24(Suppl 2):288-289, Cambridge University Press, New York, NY, 2018 (article)

mms

DOI [BibTex]

DOI [BibTex]


no image
Thermal skyrmion diffusion applied in probabilistic computing

Zázvorka, J., Jakobs, F., Heinze, D., Keil, N., Kromin, S., Jaiswal, S., Litzius, K., Jakob, G., Virnau, P., Pinna, D., Everschor-Sitte, K., Donges, A., Nowak, U., Kläui, M.

2018 (misc)

mms

link (url) [BibTex]

link (url) [BibTex]


no image
Spin-wave interference in magnetic vortex stacks

Behncke, C., Adolff, C. F., Lenzing, N., Hänze, M., Schulte, B., Weigand, M., Schütz, G., Meier, G.

{Communications Physics}, 1, Nature Publishing Group, London, 2018 (article)

mms

DOI [BibTex]

DOI [BibTex]


no image
High-throughput synthesis of modified Fresnel zone plate arrays via ion beam lithography

Keskinbora, K., Sanli, U. T., Baluktsian, M., Grévent, C., Weigand, M., Schütz, G.

{Beilstein Journal of Nanotechnology}, 9, pages: 2049-2056, Beilstein-Institut, Frankfurt am Main, 2018 (article)

mms

DOI [BibTex]

DOI [BibTex]


no image
Deterministic creation and deletion of a single magnetic skyrmion observed by direct time-resolved X-ray microscopy

Woo, S., Song, K. M., Zhang, X., Ezawa, M., Zhou, Y., Liu, X., Weigand, M., Finizio, S., Raabe, J., Park, M.-C., Lee, K.-Y., Choi, J. W., Min, B.-C., Koo, H. C., Chang, J.

{Nature Electronics}, 1(5):288-296, Springer Nature, London, 2018 (article)

mms

DOI [BibTex]

DOI [BibTex]


no image
Magnetic skyrmion as a nonlinear resistive element: A potential building block for reservoir computing

Prychynenko, D., Sitte, M., Litzius, K., Krüger, B., Bourianoff, G., Kläui, M., Sinova, J., Everschor-Sitte, K.

{Physical Review Applied}, 9(1), American Physical Society, College Park, Md. [u.a.], 2018 (article)

mms

DOI [BibTex]

DOI [BibTex]


no image
Tunable geometrical frustration in magnoic vortex crystals

Behncke, C., Adolff, C. F., Wintz, S., Hänze, M., Schulte, B., Weigand, M., Finizio, S., Raabe, J., Meier, G.

{Scientific Reports}, 8, Nature Publishing Group, London, UK, 2018 (article)

mms

DOI [BibTex]

DOI [BibTex]


no image
High-Resolution X-ray Ptychography for Magnetic Imaging

Bykova, I.

Universität Stuttgart, Stuttgart, 2018 (phdthesis)

mms

link (url) DOI [BibTex]

link (url) DOI [BibTex]


no image
Interpreting FORC diagrams beyond the Preisach model: an experimental permalloy micro array investigation

Gross, F., Ilse, S., Schütz, G., Gräfe, J., Goering, E.

In 2018 IEEE International Magnetics Conference (INTERMAG 2018), IEEE, Singapore, 2018 (inproceedings)

mms

DOI [BibTex]

DOI [BibTex]

2013


no image
Camera-specific Image Denoising

Schober, M.

Eberhard Karls Universität Tübingen, Germany, October 2013 (diplomathesis)

ei pn

PDF [BibTex]

2013


PDF [BibTex]


Thumb xl thumb hennigk2012 2
Quasi-Newton Methods: A New Direction

Hennig, P., Kiefel, M.

Journal of Machine Learning Research, 14(1):843-865, March 2013 (article)

Abstract
Four decades after their invention, quasi-Newton methods are still state of the art in unconstrained numerical optimization. Although not usually interpreted thus, these are learning algorithms that fit a local quadratic approximation to the objective function. We show that many, including the most popular, quasi-Newton methods can be interpreted as approximations of Bayesian linear regression under varying prior assumptions. This new notion elucidates some shortcomings of classical algorithms, and lights the way to a novel nonparametric quasi-Newton method, which is able to make more efficient use of available information at computational cost similar to its predecessors.

ei ps pn

website+code pdf link (url) [BibTex]

website+code pdf link (url) [BibTex]


no image
The Randomized Dependence Coefficient

Lopez-Paz, D., Hennig, P., Schölkopf, B.

In Advances in Neural Information Processing Systems 26, pages: 1-9, (Editors: C.J.C. Burges, L. Bottou, M. Welling, Z. Ghahramani, and K.Q. Weinberger), 27th Annual Conference on Neural Information Processing Systems (NIPS), 2013 (inproceedings)

ei pn

PDF [BibTex]

PDF [BibTex]


no image
Fast Probabilistic Optimization from Noisy Gradients

Hennig, P.

In Proceedings of The 30th International Conference on Machine Learning, JMLR W&CP 28(1), pages: 62–70, (Editors: S Dasgupta and D McAllester), ICML, 2013 (inproceedings)

ei pn

PDF [BibTex]

PDF [BibTex]


Thumb xl error vs dt fine
Nonparametric dynamics estimation for time periodic systems

Klenske, E., Zeilinger, M., Schölkopf, B., Hennig, P.

In Proceedings of the 51st Annual Allerton Conference on Communication, Control, and Computing, pages: 486-493 , 2013 (inproceedings)

ei pn

PDF DOI [BibTex]

PDF DOI [BibTex]


no image
The Randomized Dependence Coefficient

Lopez-Paz, D., Hennig, P., Schölkopf, B.

Neural Information Processing Systems (NIPS), 2013 (poster)

ei pn

PDF [BibTex]

PDF [BibTex]


no image
Analytical probabilistic modeling for radiation therapy treatment planning

Bangert, M., Hennig, P., Oelfke, U.

Physics in Medicine and Biology, 58(16):5401-5419, 2013 (article)

ei pn

PDF DOI [BibTex]

PDF DOI [BibTex]