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2016


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Structure and dynamics of binary liquid mixtures near their continuous demixing transitions

Roy, S., Höfling, F., Dietrich, S.

The Journal of Chemical Physics, 145(4), American Institute of Physics, Woodbury, N.Y., October 2016 (article)

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DOI [BibTex]

2016


DOI [BibTex]


Active Uncertainty Calibration in Bayesian ODE Solvers
Active Uncertainty Calibration in Bayesian ODE Solvers

Kersting, H., Hennig, P.

Proceedings of the 32nd Conference on Uncertainty in Artificial Intelligence (UAI), pages: 309-318, (Editors: Ihler, A. and Janzing, D.), AUAI Press, June 2016 (conference)

Abstract
There is resurging interest, in statistics and machine learning, in solvers for ordinary differential equations (ODEs) that return probability measures instead of point estimates. Recently, Conrad et al.~introduced a sampling-based class of methods that are `well-calibrated' in a specific sense. But the computational cost of these methods is significantly above that of classic methods. On the other hand, Schober et al.~pointed out a precise connection between classic Runge-Kutta ODE solvers and Gaussian filters, which gives only a rough probabilistic calibration, but at negligible cost overhead. By formulating the solution of ODEs as approximate inference in linear Gaussian SDEs, we investigate a range of probabilistic ODE solvers, that bridge the trade-off between computational cost and probabilistic calibration, and identify the inaccurate gradient measurement as the crucial source of uncertainty. We propose the novel filtering-based method Bayesian Quadrature filtering (BQF) which uses Bayesian quadrature to actively learn the imprecision in the gradient measurement by collecting multiple gradient evaluations.

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link (url) Project Page Project Page [BibTex]

link (url) Project Page Project Page [BibTex]


Automatic LQR Tuning Based on Gaussian Process Global Optimization
Automatic LQR Tuning Based on Gaussian Process Global Optimization

Marco, A., Hennig, P., Bohg, J., Schaal, S., Trimpe, S.

In Proceedings of the IEEE International Conference on Robotics and Automation (ICRA), pages: 270-277, IEEE, IEEE International Conference on Robotics and Automation, May 2016 (inproceedings)

Abstract
This paper proposes an automatic controller tuning framework based on linear optimal control combined with Bayesian optimization. With this framework, an initial set of controller gains is automatically improved according to a pre-defined performance objective evaluated from experimental data. The underlying Bayesian optimization algorithm is Entropy Search, which represents the latent objective as a Gaussian process and constructs an explicit belief over the location of the objective minimum. This is used to maximize the information gain from each experimental evaluation. Thus, this framework shall yield improved controllers with fewer evaluations compared to alternative approaches. A seven-degree- of-freedom robot arm balancing an inverted pole is used as the experimental demonstrator. Results of a two- and four- dimensional tuning problems highlight the method’s potential for automatic controller tuning on robotic platforms.

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Video - Automatic LQR Tuning Based on Gaussian Process Global Optimization - ICRA 2016 Video - Automatic Controller Tuning on a Two-legged Robot PDF DOI Project Page [BibTex]

Video - Automatic LQR Tuning Based on Gaussian Process Global Optimization - ICRA 2016 Video - Automatic Controller Tuning on a Two-legged Robot PDF DOI Project Page [BibTex]


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Batch Bayesian Optimization via Local Penalization

González, J., Dai, Z., Hennig, P., Lawrence, N.

Proceedings of the 19th International Conference on Artificial Intelligence and Statistics (AISTATS), 51, pages: 648-657, JMLR Workshop and Conference Proceedings, (Editors: Gretton, A. and Robert, C. C.), May 2016 (conference)

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link (url) Project Page [BibTex]

link (url) Project Page [BibTex]


Probabilistic Approximate Least-Squares
Probabilistic Approximate Least-Squares

Bartels, S., Hennig, P.

Proceedings of the 19th International Conference on Artificial Intelligence and Statistics (AISTATS), 51, pages: 676-684, JMLR Workshop and Conference Proceedings, (Editors: Gretton, A. and Robert, C. C. ), May 2016 (conference)

Abstract
Least-squares and kernel-ridge / Gaussian process regression are among the foundational algorithms of statistics and machine learning. Famously, the worst-case cost of exact nonparametric regression grows cubically with the data-set size; but a growing number of approximations have been developed that estimate good solutions at lower cost. These algorithms typically return point estimators, without measures of uncertainty. Leveraging recent results casting elementary linear algebra operations as probabilistic inference, we propose a new approximate method for nonparametric least-squares that affords a probabilistic uncertainty estimate over the error between the approximate and exact least-squares solution (this is not the same as the posterior variance of the associated Gaussian process regressor). This allows estimating the error of the least-squares solution on a subset of the data relative to the full-data solution. The uncertainty can be used to control the computational effort invested in the approximation. Our algorithm has linear cost in the data-set size, and a simple formal form, so that it can be implemented with a few lines of code in programming languages with linear algebra functionality.

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link (url) Project Page Project Page [BibTex]

link (url) Project Page Project Page [BibTex]


Gaussian Process-Based Predictive Control for Periodic Error Correction
Gaussian Process-Based Predictive Control for Periodic Error Correction

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

IEEE Transactions on Control Systems Technology , 24(1):110-121, 2016 (article)

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PDF DOI [BibTex]

PDF DOI [BibTex]


Dual Control for Approximate Bayesian Reinforcement Learning
Dual Control for Approximate Bayesian Reinforcement Learning

Klenske, E. D., Hennig, P.

Journal of Machine Learning Research, 17(127):1-30, 2016 (article)

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PDF link (url) [BibTex]

PDF link (url) [BibTex]


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Self-diffusiophoresis of chemically active colloids

Popescu, M. N., Uspal, W. E., Dietrich, S.

The European Physical Journal Special Topics, 225(11-12):2189-2206, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Perpetual superhydrophobicity

Giacomello, A., Schimmele, L., Dietrich, S., Tasinkevych, M.

Soft Matter, 12, pages: 8927-8934, Royal Society of Chemistry, Cambridge, UK, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Molecular dynamics simulation of a binary mixture near the lower critical point

Pousaneh, F., Edholm, O., Maciolek, A.

The Journal of Chemical Physics, 145(1), American Institute of Physics, Woodbury, N.Y., 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Effective Interaction between Active Colloids and Fluid Interfaces Induced by Marangoni Flows

Dom\’\inguez, A., Malgaretti, P., Popescu, M. N., Dietrich, S.

Physical Review Letters, 116, American Physical Society, Woodbury, N.Y., 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Dynamics of Novel Photoactive AgCl Microstars and Their Environmental Applications

Simmchen, J., Baeza, A., Miguel-Lopez, A., Stanton, M. M., Vallet-Regi, M., Ruiz-Molina, D., Sánchez, S.

ChemNanoMat, 3(1):65-71, Wiley, Weinheim, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Wetting hysteresis induced by nanodefects

Giacomello, A., Schimmele, L., Dietrich, S.

Proceedings of the National Academy of Sciences of the United States of America, 113(3):E262-E271, National Academy of Sciences, Washington, D.C., 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Three-phase contact line and line tension of electrolyte solutions in contact with charged substrates

Ibagon, I., Bier, M., Dietrich, S.

Journal of Physics: Condensed Matter, 28(24), IOP Publishing, Bristol, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Smart biosensors for multiplexed and fully integrated point-of-care diagnostics

Romeo, A., Leung, T. S., Sanchez, S.

Lab on a Chip, 16(11):1957-1961, Royal Society of Chemistry, Cambridge, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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The sequential activation of the mitotic microtubule assembly pathways favors bipolar spindle formation

Cavazza, T., Malgaretti, P., Vernos, I.

Molecular Biology of the Cell, 27(19):2935-2945, American Society for Cell Biology, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Entropically induced asymmetric passage times of charged tracers across corrugated channels

Malgaretti, P., Pagonabarraga, I., Rubi, J. M.

The Journal of Chemical Physics, 144(3), American Institute of Physics, Woodbury, N.Y., 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Diffusion im Zentrifugalpotential

Totikos, Vangelis

Universität Stuttgart, Stuttgart, 2016 (mastersthesis)

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[BibTex]

[BibTex]


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Topographical pathways guide chemical microswimmers

Simmchen, J., Katuri, J., Uspal, W., Popescu, M. N., Tasinkevych, M., Sanchez, S.

Nature Communications, 7, Nature Publishing Group, London, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Fluctuational electrodynamics for nonlinear media

Soo, H., Krüger, M.

EPL, 115(4), EDP Science, Les-Ulis, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Poisson-Boltzmann study of the effective electrostatic interaction between colloids at an electrolyte interface

Majee, A., Bier, M., Dietrich, S.

The Journal of Chemical Physics, 145(6), American Institute of Physics, Woodbury, N.Y., 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Bubble-Free Propulsion of Ultrasmall Tubular Nanojets Powered by Biocatalytic Reactions

Ma, X., Hortelao, A. C., Miquel-Lopez, A., Sanchez, S.

Journal of the American Chemical Society, 138(42):13782-13785, American Chemical Society, Washington, DC, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Wetting and orientation of catalytic Janus colloids at the surface of water

Wang, X., In, M., Blanc, C., Malgaretti, P., Nobilia, M., Stocco, A.

Faraday Discussions, 191, pages: 305-324, Royal Society of Chemistry, London, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Collective dynamics of chemically active particles trapped at a fluid interface

Dom\’\inguez, A., Malgaretti, P., Popescu, M. N., Dietrich, S.

Soft Matter, 12(40):8398-8406, Royal Society of Chemistry, Cambridge, UK, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Guiding Catalytically Active Particles with Chemically Patterned Surfaces

Uspal, W. E., Popescu, M. N., Dietrich, S., Tasinkevych, M.

Physical Review Letters, 117(4), American Physical Society, Woodbury, N.Y., 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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A dynamic DFT approach to generalized diffusion equations in a system with long-ranged and hydrodynamic interactions

Bleibel, J., Dominguez, A., Oettel, M.

Journal of Physics: Condensed Matter, 28(24), IOP Publishing, Bristol, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Rectification and Non-Gaussian Diffusion in Heterogeneous Media

Malgaretti, P., Pagonabarraga, I., Rubi, J. M.

Entropy, 18(11), Molecular Diversity Preservation International, Basel, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Lateral critical Casimir force in two\textendashdimensional inhomogeneous Ising strip. Exact results

Nowakowski, P., Napiorkowski, M.

The Journal of Chemical Physics, 144(21), 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Tailoring three-dimensional architectures by rolled-up nanotechnology for mimicking microvasculatures

Arayanarakool, R., Meyer, A. K., Helbig, L., Sanchez, S., Schmidt, O. G.

Lab on a Chip, 15(14):2981-2989, Royal Society of Chemistry, Cambridge, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Flexible sensors for biomedical technology

Vilela, D., Romeo, A., Sanchez, S.

Lab on a Chip, 16(3):402-408, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Mechanical stability of bipolar spindle assembly

Malgaretti, P., Muhuri, S.

EPL, 115(2), EDP Science, Les-Ulis, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Reversed Janus micro/nanomotors with internal chemical engine

Ma, X., Jang, S., Popescu, M. N., Uspal, W. E., Miguel-López, A., Hahn, K., Kim, D., Sanchez, S.

ACS Nano, 10(9):8751-8759, American Chemical Society, Washington, DC, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Driven colloidal fluids: construction of dynamical density functional theories from exactly solvable limits

Scacchi, A., Krüger, M., Brader, J. M.

Journal of Physics: Condensed Matter, 28(24), IOP Publishing, Bristol, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Flight of a heavy particle nonlinearly coupled to a quantum bath

Maghrebi, M. F., Krüger, M., Kardar, M.

Physical Review B, 93(1), American Physical Society, Woodbury, NY, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Critical Casimir forces between defects in the 2D Ising model

Nowakowski, P., Maciolek, A., Dietrich, S.

Journal of Physics A: Mathematical and Theoretical, 49(48), IOP Pub., Bristol, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Miniaturized soft bio-hybrid robotics: a step forward into healthcare applications

Patino, T., Mestre, R., Sanchez, S.

Lab on a Chip, 16(19):3626-3630, Royal Society of Chemistry, Cambridge, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Characterizing anomalous diffusion in crowded polymer solutions and gels over five decades in time with variable-lengthscale fluorescence correlation spectroscopy

Banks, Daniel S, Tressler, Charmaine, Peters, Robert D, Höfling, Felix, Fradin, Cécile

Soft Matter, 12(18):4190-4203, Royal Society of Chemistry, Cambridge, UK, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Slip Length Enhancement in Nanofluidic Flow using Nanotextured Superhydrophobic Surfaces

Heverhagen, Jonas, Tasinkevych, M., Rahman, A., Black, C.T., Checco, A.

Advanced Materials Interfaces, 3(17), Wiley-VCH, Weinheim, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Electromagnetic radiation in complex environments: Many body systems and background medium

Müller, Boris

Universität Stuttgart, Stuttgart, 2016 (mastersthesis)

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[BibTex]

[BibTex]


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Active colloids at fluid interfaces

Malgaretti, P., Popescu, M. N., Dietrich, S.

Soft Matter, 12(17):4007-4023, Royal Society of Chemistry, Cambridge, UK, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Critical adsorption and critical Casimir forces in the canonical ensemble

Gross, M., Vasilyev, O., Gambassi, A., Dietrich, S.

Physical Review E, 94(2), American Physical Society, Melville, NY, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Critical Casimir interactions between Janus particles

Labbe-Laurent, M., Dietrich, S.

Soft Matter, 12(31):6621-6648, Royal Society of Chemistry, Cambridge, UK, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Motion Control of Urea-Powerde Biocompatible Hollow Microcapsule

Ma, X., Wang, X., Hahn, K., Sanchez, S.

ACS Nano, 10(3):3597-3605, American Chemical Society, Washington, DC, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Enzyme Catalysis To Power Micro/Nanomachines

Ma, X., Hortelao, A. C., Patino, T., Sanchez, S.

ACS Nano, 10(10):9111-9122, American Chemical Society, Washington, DC, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Microfluidic fuel cells for energy generation

Safdar, M., Jänis, J., Sanchez, S.

Lab on a Chip, 16(15):2754-2758, Royal Society of Chemistry, Cambridge, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Reusable and Long-Lasting Active Microcleaners for Heterogeneous Water Remediation

Parmar, J., Vilela, D., Pellicer, E., Esque-de-los Ojos, D., Sort, J., Sanchez, S.

Advanced Functional Materials, 26(23):4152-4161, Wiley-VCH Verlag GmbH, Weinheim, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Self-Assembly of Micromachining Systems Powered by Janus Micromotors

Maggi, C., Simmchen, J., Saglimbeni, F., Katuri, J., Dipalo, M., De Angelis, F., Sanchez, S., Di Leonardo, R.

Small, 12(4):446-451, Wiley, Weinheim, Germany, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Graphene-Based Microrobots for Toxic Heavy Metal Removal and Recovery from Water

Vilela, D., Parmar, J., Zeng, Y., Zhao, Y., Sanchez, S.

Nano Letters, 16(4):2860-2866, American Chemical Society, Washington, DC, 2016 (article)

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DOI [BibTex]

DOI [BibTex]


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Colloidal Particles in Thin Nematic Wetting Films

Jeridi, H., Tasinkevych, M., Othman, T., Blanc, C.

Langmuir, 32(35):9097-9107, American Chemical Society, Columbus, OH, 2016 (article)

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DOI [BibTex]

DOI [BibTex]