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2018


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Role of symmetry in driven propulsion at low Reynolds number

Sachs, J., Morozov, K. I., Kenneth, O., Qiu, T., Segreto, N., Fischer, P., Leshansky, A. M.

Phys. Rev. E, 98(6):063105, American Physical Society, December 2018 (article)

Abstract
We theoretically and experimentally investigate low-Reynolds-number propulsion of geometrically achiral planar objects that possess a dipole moment and that are driven by a rotating magnetic field. Symmetry considerations (involving parity, $\widehat{P}$, and charge conjugation, $\widehat{C}$) establish correspondence between propulsive states depending on orientation of the dipolar moment. Although basic symmetry arguments do not forbid individual symmetric objects to efficiently propel due to spontaneous symmetry breaking, they suggest that the average ensemble velocity vanishes. Some additional arguments show, however, that highly symmetrical ($\widehat{P}$-even) objects exhibit no net propulsion while individual less symmetrical ($\widehat{C}\widehat{P}$-even) propellers do propel. Particular magnetization orientation, rendering the shape $\widehat{C}\widehat{P}$-odd, yields unidirectional motion typically associated with chiral structures, such as helices. If instead of a structure with a permanent dipole we consider a polarizable object, some of the arguments have to be modified. For instance, we demonstrate a truly achiral ($\widehat{P}$- and $\widehat{C}\widehat{P}$-even) planar shape with an induced electric dipole that can propel by electro-rotation. We thereby show that chirality is not essential for propulsion due to rotation-translation coupling at low Reynolds number.

pf

link (url) DOI Project Page [BibTex]

2018


link (url) DOI Project Page [BibTex]


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Optical and Thermophoretic Control of Janus Nanopen Injection into Living Cells

Maier, C. M., Huergo, M. A., Milosevic, S., Pernpeintner, C., Li, M., Singh, D. P., Walker, D., Fischer, P., Feldmann, J., Lohmüller, T.

Nano Letters, 18, pages: 7935–7941, November 2018 (article) Accepted

Abstract
Devising strategies for the controlled injection of functional nanoparticles and reagents into living cells paves the way for novel applications in nanosurgery, sensing, and drug delivery. Here, we demonstrate the light-controlled guiding and injection of plasmonic Janus nanopens into living cells. The pens are made of a gold nanoparticle attached to a dielectric alumina shaft. Balancing optical and thermophoretic forces in an optical tweezer allows single Janus nanopens to be trapped and positioned on the surface of living cells. While the optical injection process involves strong heating of the plasmonic side, the temperature of the alumina stays significantly lower, thus allowing the functionalization with fluorescently labeled, single-stranded DNA and, hence, the spatially controlled injection of genetic material with an untethered nanocarrier.

pf

link (url) DOI [BibTex]

link (url) DOI [BibTex]


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A swarm of slippery micropropellers penetrates the vitreous body of the eye

Wu, Z., Troll, J., Jeong, H. H., Wei, Q., Stang, M., Ziemssen, F., Wang, Z., Dong, M., Schnichels, S., Qiu, T., Fischer, P.

Science Advances, 4(11):eaat4388, November 2018 (article)

Abstract
The intravitreal delivery of therapeutic agents promises major benefits in the field of ocular medicine. Traditional delivery methods rely on the random, passive diffusion of molecules, which do not allow for the rapid delivery of a concentrated cargo to a defined region at the posterior pole of the eye. The use of particles promises targeted delivery but faces the challenge that most tissues including the vitreous have a tight macromolecular matrix that acts as a barrier and prevents its penetration. Here, we demonstrate novel intravitreal delivery microvehicles slippery micropropellers that can be actively propelled through the vitreous humor to reach the retina. The propulsion is achieved by helical magnetic micropropellers that have a liquid layer coating to minimize adhesion to the surrounding biopolymeric network. The submicrometer diameter of the propellers enables the penetration of the biopolymeric network and the propulsion through the porcine vitreous body of the eye over centimeter distances. Clinical optical coherence tomography is used to monitor the movement of the propellers and confirm their arrival on the retina near the optic disc. Overcoming the adhesion forces and actively navigating a swarm of micropropellers in the dense vitreous humor promise practical applications in ophthalmology.

pf

Video: Nanorobots propel through the eye link (url) DOI [BibTex]

Video: Nanorobots propel through the eye link (url) DOI [BibTex]


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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]


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Fast spatial scanning of 3D ultrasound fields via thermography

Melde, K., Qiu, T., Fischer, P.

Applied Physics Letters, 113(13):133503, September 2018 (article)

Abstract
We propose and demonstrate a thermographic method that allows rapid scanning of ultrasound fields in a volume to yield 3D maps of the sound intensity. A thin sound-absorbing membrane is continuously translated through a volume of interest while a thermal camera records the evolution of its surface temperature. The temperature rise is a function of the absorbed sound intensity, such that the thermal image sequence can be combined to reveal the sound intensity distribution in the traversed volume. We demonstrate the mapping of ultrasound fields, which is several orders of magnitude faster than scanning with a hydrophone. Our results are in very good agreement with theoretical simulations.

pf

link (url) DOI Project Page [BibTex]


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Diffusion Measurements of Swimming Enzymes with Fluorescence Correlation Spectroscopy

Günther, J., Börsch, M., Fischer, P.

Accounts of Chemical Research, 51(9):1911-1920, August 2018 (article)

Abstract
Self-propelled chemical motors are chemically powered micro- or nanosized swimmers. The energy required for these motors’ active motion derives from catalytic chemical reactions and the transformation of a fuel dissolved in the solution. While self-propulsion is now well established for larger particles, it is still unclear if enzymes, nature’s nanometer-sized catalysts, are potentially also self-powered nanomotors. Because of its small size, any increase in an enzyme’s diffusion due to active self-propulsion must be observed on top of the enzyme’s passive Brownian motion, which dominates at this scale. Fluorescence correlation spectroscopy (FCS) is a sensitive method to quantify the diffusion properties of single fluorescently labeled molecules in solution. FCS experiments have shown a general increase in the diffusion constant of a number of enzymes when the enzyme is catalytically active. Diffusion enhancements after addition of the enzyme’s substrate (and sometimes its inhibitor) of up to 80\% have been reported, which is at least 1 order of magnitude higher than what theory would predict. However, many factors contribute to the FCS signal and in particular the shape of the autocorrelation function, which underlies diffusion measurements by fluorescence correlation spectroscopy. These effects need to be considered to establish if and by how much the catalytic activity changes an enzyme’s diffusion.We carefully review phenomena that can play a role in FCS experiments and the determination of enzyme diffusion, including the dissociation of enzyme oligomers upon interaction with the substrate, surface binding of the enzyme to glass during the experiment, conformational changes upon binding, and quenching of the fluorophore. We show that these effects can cause changes in the FCS signal that behave similar to an increase in diffusion. However, in the case of the enzymes F1-ATPase and alkaline phosphatase, we demonstrate that there is no measurable increase in enzyme diffusion. Rather, dissociation and conformational changes account for the changes in the FCS signal in the former and fluorophore quenching in the latter. Within the experimental accuracy of our FCS measurements, we do not observe any change in diffusion due to activity for the enzymes we have investigated.We suggest useful control experiments and additional tests for future FCS experiments that should help establish if the observed diffusion enhancement is real or if it is due to an experimental or data analysis artifact. We show that fluorescence lifetime and mean intensity measurements are essential in order to identify the nature of the observed changes in the autocorrelation function. While it is clear from theory that chemically active enzymes should also act as self-propelled nanomotors, our FCS measurements show that the associated increase in diffusion is much smaller than previously reported. Further experiments are needed to quantify the contribution of the enzymes’ catalytic activity to their self-propulsion. We hope that our findings help to establish a useful protocol for future FCS studies in this field and help establish by how much the diffusion of an enzyme is enhanced through catalytic activity.

pf

link (url) DOI [BibTex]

link (url) DOI [BibTex]


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Uphill production of dihydrogen by enzymatic oxidation of glucose without an external energy source

Suraniti, E., Merzeau, P., Roche, J., Gounel, S., Mark, A. G., Fischer, P., Mano, N., Kuhn, A.

Nature Communications, 9(1):3229, August 2018 (article)

Abstract
Chemical systems do not allow the coupling of energy from several simple reactions to drive a subsequent reaction, which takes place in the same medium and leads to a product with a higher energy than the one released during the first reaction. Gibbs energy considerations thus are not favorable to drive e.g., water splitting by the direct oxidation of glucose as a model reaction. Here, we show that it is nevertheless possible to carry out such an energetically uphill reaction, if the electrons released in the oxidation reaction are temporarily stored in an electromagnetic system, which is then used to raise the electrons' potential energy so that they can power the electrolysis of water in a second step. We thereby demonstrate the general concept that lower energy delivering chemical reactions can be used to enable the formation of higher energy consuming reaction products in a closed system.

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link (url) DOI [BibTex]

link (url) DOI [BibTex]


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Chemical micromotors self-assemble and self-propel by spontaneous symmetry breaking

Yu, T., Chuphal, P., Thakur, S., Reigh, S. Y., Singh, D. P., Fischer, P.

Chem. Comm., 54, pages: 11933-11936, August 2018 (article)

Abstract
Self-propelling chemical motors have thus far required the fabrication of Janus particles with an asymmetric catalyst distribution. Here, we demonstrate that simple, isotropic colloids can spontaneously assemble to yield dimer motors that self-propel. In a mixture of isotropic titanium dioxide colloids with photo-chemical catalytic activity and passive silica colloids, light illumination causes diffusiophoretic attractions between the active and passive particles and leads to the formation of dimers. The dimers constitute a symmetry-broken motor, whose dynamics can be fully controlled by the illumination conditions. Computer simulations reproduce the dynamics of the colloids and are in good agreement with experiments. The current work presents a simple route to obtain large numbers of self-propelling chemical motors from a dispersion of spherically symmetric colloids through spontaneous symmetry breaking.

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link (url) DOI [BibTex]

link (url) DOI [BibTex]


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Chemotaxis of Active Janus Nanoparticles

Popescu, M. N., Uspal, W. E., Bechinger, C., Fischer, P.

Nano Letters, 18(9):5345–5349, July 2018 (article)

Abstract
While colloids and molecules in solution exhibit passive Brownian motion, particles that are partially covered with a catalyst, which promotes the transformation of a fuel dissolved in the solution, can actively move. These active Janus particles are known as “chemical nanomotors” or self-propelling “swimmers” and have been realized with a range of catalysts, sizes, and particle geometries. Because their active translation depends on the fuel concentration, one expects that active colloidal particles should also be able to swim toward a fuel source. Synthesizing and engineering nanoparticles with distinct chemotactic properties may enable important developments, such as particles that can autonomously swim along a pH gradient toward a tumor. Chemotaxis requires that the particles possess an active coupling of their orientation to a chemical gradient. In this Perspective we provide a simple, intuitive description of the underlying mechanisms for chemotaxis, as well as the means to analyze and classify active particles that can show positive or negative chemotaxis. The classification provides guidance for engineering a specific response and is a useful organizing framework for the quantitative analysis and modeling of chemotactic behaviors. Chemotaxis is emerging as an important focus area in the field of active colloids and promises a number of fascinating applications for nanoparticles and particle-based delivery.

pf

link (url) DOI [BibTex]

link (url) DOI [BibTex]


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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]


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Bioinspired microrobots

Palagi, S., Fischer, P.

Nature Reviews Materials, 3, pages: 113–124, May 2018 (article)

Abstract
Microorganisms can move in complex media, respond to the environment and self-organize. The field of microrobotics strives to achieve these functions in mobile robotic systems of sub-millimetre size. However, miniaturization of traditional robots and their control systems to the microscale is not a viable approach. A promising alternative strategy in developing microrobots is to implement sensing, actuation and control directly in the materials, thereby mimicking biological matter. In this Review, we discuss design principles and materials for the implementation of robotic functionalities in microrobots. We examine different biological locomotion strategies, and we discuss how they can be artificially recreated in magnetic microrobots and how soft materials improve control and performance. We show that smart, stimuli-responsive materials can act as on-board sensors and actuators and that ‘active matter’ enables autonomous motion, navigation and collective behaviours. Finally, we provide a critical outlook for the field of microrobotics and highlight the challenges that need to be overcome to realize sophisticated microrobots, which one day might rival biological machines.

pf

link (url) DOI [BibTex]

link (url) DOI [BibTex]


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Graphene-silver hybrid devices for sensitive photodetection in the ultraviolet

Paria, D., Jeong, H. H., Vadakkumbatt, V., Deshpande, P., Fischer, P., Ghosh, A., Ghosh, A.

Nanoscale, 10, pages: 7685-7693, April 2018 (article)

Abstract
The weak light-matter interaction in graphene can be enhanced with a number of strategies, among which sensitization with plasmonic nanostructures is particularly attractive. This has resulted in the development of graphene-plasmonic hybrid systems with strongly enhanced photodetection efficiencies in the visible and the IR, but none in the UV. Here, we describe a silver nanoparticle-graphene stacked optoelectronic device that shows strong enhancement of its photoresponse across the entire UV spectrum. The device fabrication strategy is scalable and modular. Self-assembly techniques are combined with physical shadow growth techniques to fabricate a regular large-area array of 50 nm silver nanoparticles onto which CVD graphene is transferred. The presence of the silver nanoparticles resulted in a plasmonically enhanced photoresponse as high as 3.2 A W-1 in the wavelength range from 330 nm to 450 nm. At lower wavelengths, close to the Van Hove singularity of the density of states in graphene, we measured an even higher responsivity of 14.5 A W-1 at 280 nm, which corresponds to a more than 10 000-fold enhancement over the photoresponse of native graphene.

pf

link (url) DOI [BibTex]

link (url) DOI [BibTex]


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Nanoparticles on the move for medicine

Fischer, P.

Physics World Focus on Nanotechnology, pages: 26028, (Editors: Margaret Harris), IOP Publishing Ltd and individual contributors, April 2018 (article)

Abstract
Peer Fischer outlines the prospects for creating “nanoswimmers” that can be steered through the body to deliver drugs directly to their targets Molecules don’t move very fast on their own. If they had to rely solely on diffusion – a slow and inefficient process linked to the Brownian motion of small particles and molecules in solution – then a protein mole­cule, for instance, would take around three weeks to travel a single centimetre down a nerve fibre. This is why active transport mechanisms exist in cells and in the human body: without them, all the processes of life would happen at a pace that would make snails look speedy.

pf

link (url) [BibTex]

link (url) [BibTex]


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Photogravitactic Microswimmers

Singh, D. P., Uspal, W. E., Popescu, M. N., Wilson, L. G., Fischer, P.

Adv. Func. Mat., 28, pages: 1706660, Febuary 2018 (article)

Abstract
Abstract Phototactic microorganisms are commonly observed to respond to natural sunlight by swimming upward against gravity. This study demonstrates that synthetic photochemically active microswimmers can also swim against gravity. The particles initially sediment and, when illuminated at low light intensities exhibit wall‐bound states of motion near the bottom surface. Upon increasing the intensity of light, the artificial swimmers lift off from the wall and swim against gravity and away from the light source. This motion in the bulk has been further confirmed using holographic microscopy. A theoretical model is presented within the framework of self‐diffusiophoresis, which allows to unequivocally identify the photochemical activity and the phototactic response as key mechanisms in the observed phenomenology. Since the lift‐off threshold intensity depends on the particle size, it can be exploited to selectively address particles with the same density from a polydisperse mixture of active particles and move them in or out of the boundary region. This study provides a simple design strategy to fabricate artificial microswimmers whose two‐ or three‐dimensional swimming behavior can be controlled with light.

pf

link (url) DOI [BibTex]

link (url) DOI [BibTex]


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Chiral Plasmonic Hydrogen Sensors

Matuschek, M., Singh, D. P., Hyeon-Ho, J., Nesterov, M., Weiss, T., Fischer, P., Neubrech, F., Na Liu, L.

Small, 14(7):1702990, Febuary 2018 (article)

Abstract
In this article, a chiral plasmonic hydrogen‐sensing platform using palladium‐based nanohelices is demonstrated. Such 3D chiral nanostructures fabricated by nanoglancing angle deposition exhibit strong circular dichroism both experimentally and theoretically. The chiroptical properties of the palladium nanohelices are altered upon hydrogen uptake and sensitively depend on the hydrogen concentration. Such properties are well suited for remote and spark‐free hydrogen sensing in the flammable range. Hysteresis is reduced, when an increasing amount of gold is utilized in the palladium‐gold hybrid helices. As a result, the linearity of the circular dichroism in response to hydrogen is significantly improved. The chiral plasmonic sensor scheme is of potential interest for hydrogen‐sensing applications, where good linearity and high sensitivity are required.

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link (url) DOI [BibTex]

link (url) DOI [BibTex]


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Acoustic Fabrication via the Assembly and Fusion of Particles

Melde, K., Choi, E., Wu, Z., Palagi, S., Qiu, T., Fischer, P.

Advanced Materials, 30(3):1704507, January 2018 (article)

Abstract
Acoustic assembly promises a route toward rapid parallel fabrication of whole objects directly from solution. This study reports the contact-free and maskless assembly, and fixing of silicone particles into arbitrary 2D shapes using ultrasound fields. Ultrasound passes through an acoustic hologram to form a target image. The particles assemble from a suspension along lines of high pressure in the image due to acoustic radiation forces and are then fixed (crosslinked) in a UV-triggered reaction. For this, the particles are loaded with a photoinitiator by solvent-induced swelling. This localizes the reaction and allows the bulk suspension to be reused. The final fabricated parts are mechanically stable and self-supporting.

pf

link (url) DOI Project Page [BibTex]


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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]


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Numerical Quadrature for Probabilistic Policy Search

Vinogradska, J., Bischoff, B., Achterhold, J., Koller, T., Peters, J.

IEEE Transactions on Pattern Analysis and Machine Intelligence, pages: 1-1, 2018 (article)

ev

DOI [BibTex]

DOI [BibTex]


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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)

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DOI [BibTex]

DOI [BibTex]


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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]


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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]


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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)

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DOI [BibTex]

DOI [BibTex]


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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]


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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]


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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)

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DOI [BibTex]

DOI [BibTex]


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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]


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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]


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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)

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DOI [BibTex]

DOI [BibTex]


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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)

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DOI [BibTex]

DOI [BibTex]


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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]


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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)

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DOI [BibTex]

DOI [BibTex]


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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)

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DOI [BibTex]

DOI [BibTex]


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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)

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DOI [BibTex]

DOI [BibTex]


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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)

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DOI [BibTex]

DOI [BibTex]


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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)

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DOI [BibTex]

DOI [BibTex]


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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)

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DOI [BibTex]

DOI [BibTex]


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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)

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DOI [BibTex]

DOI [BibTex]


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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)

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DOI [BibTex]

DOI [BibTex]


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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)

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DOI [BibTex]

DOI [BibTex]


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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)

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DOI [BibTex]

DOI [BibTex]


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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)

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DOI [BibTex]

DOI [BibTex]


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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)

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DOI [BibTex]


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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)

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DOI [BibTex]

DOI [BibTex]


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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)

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DOI [BibTex]

DOI [BibTex]