@misc{13059, abstract = {This dataset contains a GitHub repository containing all the data, analysis, Nextflow workflows and Jupyter notebooks to replicate the manuscript titled "Fast and accurate large multiple sequence alignments with a root-to-leaf regressive method". It also contains the Multiple Sequence Alignments (MSAs) generated and well as the main figures and tables from the manuscript. The repository is also available at GitHub (https://github.com/cbcrg/dpa-analysis) release `v1.2`. For details on how to use the regressive alignment algorithm, see the T-Coffee software suite (https://github.com/cbcrg/tcoffee).}, author = {Garriga, Edgar and di Tommaso, Paolo and Magis, Cedrik and Erb, Ionas and Mansouri, Leila and Baltzis, Athanasios and Laayouni, Hafid and Kondrashov, Fyodor and Floden, Evan and Notredame, Cedric}, publisher = {Zenodo}, title = {{Fast and accurate large multiple sequence alignments with a root-to-leaf regressive method}}, doi = {10.5281/ZENODO.2025846}, year = {2018}, } @article{5677, abstract = {Recently, contract-based design has been proposed as an “orthogonal” approach that complements system design methodologies proposed so far to cope with the complexity of system design. Contract-based design provides a rigorous scaffolding for verification, analysis, abstraction/refinement, and even synthesis. A number of results have been obtained in this domain but a unified treatment of the topic that can help put contract-based design in perspective was missing. This monograph intends to provide such a treatment where contracts are precisely defined and characterized so that they can be used in design methodologies with no ambiguity. In particular, this monograph identifies the essence of complex system design using contracts through a mathematical “meta-theory”, where all the properties of the methodology are derived from a very abstract and generic notion of contract. We show that the meta-theory provides deep and illuminating links with existing contract and interface theories, as well as guidelines for designing new theories. Our study encompasses contracts for both software and systems, with emphasis on the latter. We illustrate the use of contracts with two examples: requirement engineering for a parking garage management, and the development of contracts for timing and scheduling in the context of the Autosar methodology in use in the automotive sector.}, author = {Benveniste, Albert and Nickovic, Dejan and Caillaud, Benoît and Passerone, Roberto and Raclet, Jean Baptiste and Reinkemeier, Philipp and Sangiovanni-Vincentelli, Alberto and Damm, Werner and Henzinger, Thomas A and Larsen, Kim G.}, issn = {1551-3939}, journal = {Foundations and Trends in Electronic Design Automation}, number = {2-3}, pages = {124--400}, publisher = {Now Publishers}, title = {{Contracts for system design}}, doi = {10.1561/1000000053}, volume = {12}, year = {2018}, } @article{9134, abstract = {Several studies have shown the existence of a critical latitude where the dissipation of internal tides is strongly enhanced. Internal tides are internal waves generated by barotropic tidal currents impinging rough topography at the seafloor. Their dissipation and concomitant diapycnal mixing are believed to be important for water masses and the large‐scale ocean circulation. The purpose of this study is to clarify the physical processes at the origin of this strong latitudinal dependence of tidal energy dissipation. We find that different mechanisms are involved equatorward and poleward of the critical latitude. Triadic resonant instabilities are responsible for the dissipation of internal tides equatorward of the critical latitude. In particular, a dominant triad involving the primary internal tide and near‐inertial waves is key. At the critical latitude, the peak of energy dissipation is explained by both increased instability growth rates, and smaller scales of secondary waves thus more prone to break and dissipate their energy. Surprisingly, poleward of the critical latitude, the generation of evanescent waves appears to be crucial. Triadic instabilities have been widely studied, but the transfer of energy to evanescent waves has received comparatively little attention. Our work suggests that the nonlinear transfer of energy from the internal tide to evanescent waves (corresponding to the 2f‐pump mechanism described by Young et al., 2008, https://doi.org/10.1017/S0022112008001742) is an efficient mechanism to dissipate internal tide energy near and poleward of the critical latitude. The theoretical results are confirmed in idealized high‐resolution numerical simulations of a barotropic M2 tide impinging sinusoidal topography in a linearly stratified fluid.}, author = {Richet, O. and Chomaz, J.-M. and Muller, Caroline J}, issn = {2169-9275}, journal = {Journal of Geophysical Research: Oceans}, number = {9}, pages = {6136--6155}, publisher = {American Geophysical Union}, title = {{Internal tide dissipation at topography: Triadic resonant instability equatorward and evanescent waves poleward of the critical latitude}}, doi = {10.1029/2017jc013591}, volume = {123}, year = {2018}, } @article{9568, abstract = {An intercalate in a Latin square is a 2×2 Latin subsquare. Let N be the number of intercalates in a uniformly random n×n Latin square. We prove that asymptotically almost surely N≥(1−o(1))n2/4, and that EN≤(1+o(1))n2/2 (therefore asymptotically almost surely N≤fn2 for any f→∞). This significantly improves the previous best lower and upper bounds. We also give an upper tail bound for the number of intercalates in two fixed rows of a random Latin square. In addition, we discuss a problem of Linial and Luria on low-discrepancy Latin squares.}, author = {Kwan, Matthew Alan and Sudakov, Benny}, issn = {1098-2418}, journal = {Random Structures and Algorithms}, number = {2}, pages = {181--196}, publisher = {Wiley}, title = {{Intercalates and discrepancy in random Latin squares}}, doi = {10.1002/rsa.20742}, volume = {52}, year = {2018}, } @article{407, abstract = {Isoprenoid cytokinins play a number of crucial roles in the regulation of plant growth and development. To study cytokinin receptor properties in plants, we designed and prepared fluorescent derivatives of 6-[(3-methylbut-2-en-1-yl)amino]purine (N6-isopentenyladenine, iP) with several fluorescent labels attached to the C2 or N9 atom of the purine moiety via a 2- or 6-carbon linker. The fluorescent labels included dansyl (DS), fluorescein (FC), 7-nitrobenzofurazan (NBD), rhodamine B (RhoB), coumarin (Cou), 7-(diethylamino)coumarin (DEAC) and cyanine 5 dye (Cy5). All prepared compounds were screened for affinity for the Arabidopsis thaliana cytokinin receptor (CRE1/AHK4). Although the attachment of the fluorescent labels to iP via the linkers mostly disrupted binding to the receptor, several fluorescent derivatives interacted well. For this reason, three derivatives, two rhodamine B and one 4-chloro-7-nitrobenzofurazan labeled iP were tested for their interaction with CRE1/AHK4 and Zea mays cytokinin receptors in detail. We further showed that the three derivatives were able to activate transcription of cytokinin response regulator ARR5 in Arabidopsis seedlings. The activity of fluorescently labeled cytokinins was compared with corresponding 6-dimethylaminopurine fluorescently labeled negative controls. Selected rhodamine B C2-labeled compounds 17, 18 and 4-chloro-7-nitrobenzofurazan N9-labeled compound 28 and their respective negative controls (19, 20 and 29, respectively) were used for in planta staining experiments in Arabidopsis thaliana cell suspension culture using live cell confocal microscopy.}, author = {Kubiasová, Karolina and Mik, Václav and Nisler, Jaroslav and Hönig, Martin and Husičková, Alexandra and Spíchal, Lukáš and Pěkná, Zuzana and Šamajová, Olga and Doležal, Karel and Plíhal, Ondřej and Benková, Eva and Strnad, Miroslav and Plíhalová, Lucie}, journal = {Phytochemistry}, pages = {1--11}, publisher = {Elsevier}, title = {{Design, synthesis and perception of fluorescently labeled isoprenoid cytokinins}}, doi = {10.1016/j.phytochem.2018.02.015}, volume = {150}, year = {2018}, } @inproceedings{941, abstract = {Recently there has been a proliferation of automated program repair (APR) techniques, targeting various programming languages. Such techniques can be generally classified into two families: syntactic- and semantics-based. Semantics-based APR, on which we focus, typically uses symbolic execution to infer semantic constraints and then program synthesis to construct repairs conforming to them. While syntactic-based APR techniques have been shown successful on bugs in real-world programs written in both C and Java, semantics-based APR techniques mostly target C programs. This leaves empirical comparisons of the APR families not fully explored, and developers without a Java-based semantics APR technique. We present JFix, a semantics-based APR framework that targets Java, and an associated Eclipse plugin. JFix is implemented atop Symbolic PathFinder, a well-known symbolic execution engine for Java programs. It extends one particular APR technique (Angelix), and is designed to be sufficiently generic to support a variety of such techniques. We demonstrate that semantics-based APR can indeed efficiently and effectively repair a variety of classes of bugs in large real-world Java programs. This supports our claim that the framework can both support developers seeking semantics-based repair of bugs in Java programs, as well as enable larger scale empirical studies comparing syntactic- and semantics-based APR targeting Java. The demonstration of our tool is available via the project website at: https://xuanbachle.github.io/semanticsrepair/ }, author = {Le, Xuan and Chu, Duc Hiep and Lo, David and Le Goues, Claire and Visser, Willem}, booktitle = {Proceedings of the 26th ACM SIGSOFT International Symposium on Software Testing and Analysis}, location = {Santa Barbara, CA, United States}, pages = {376 -- 379 }, publisher = {ACM}, title = {{JFIX: Semantics-based repair of Java programs via symbolic PathFinder}}, doi = {10.1145/3092703.3098225}, year = {2017}, } @misc{5568, abstract = {Includes source codes, test cases, and example data used in the thesis Brittle Fracture Simulation with Boundary Elements for Computer Graphics. Also includes pre-built binaries of the HyENA library, but not sources - please contact the HyENA authors to obtain these sources if required (https://mech.tugraz.at/hyena)}, author = {Hahn, David}, keywords = {Boundary elements, brittle fracture, computer graphics, fracture simulation}, publisher = {Institute of Science and Technology Austria}, title = {{Source codes: Brittle fracture simulation with boundary elements for computer graphics}}, doi = {10.15479/AT:ISTA:73}, year = {2017}, } @article{122, abstract = {Four rigid panels connected by hinges that meet at a point form a four-vertex, the fundamental building block of origami metamaterials. Most materials designed so far are based on the same four-vertex geometry, and little is known regarding how different geometries affect folding behavior. Here we systematically categorize and analyze the geometries and resulting folding motions of Euclidean four-vertices. Comparing the relative sizes of sector angles, we identify three types of generic vertices and two accompanying subtypes. We determine which folds can fully close and the possible mountain-valley assignments. Next, we consider what occurs when sector angles or sums thereof are set equal, which results in 16 special vertex types. One of these, flat-foldable vertices, has been studied extensively, but we show that a wide variety of qualitatively different folding motions exist for the other 15 special and 3 generic types. Our work establishes a straightforward set of rules for understanding the folding motion of both generic and special four-vertices and serves as a roadmap for designing origami metamaterials.}, author = {Waitukaitis, Scott R and Van Hecke, Martin}, journal = {Physical Review E - Statistical, Nonlinear, and Soft Matter Physics}, number = {2}, publisher = {American Physiological Society}, title = {{Origami building blocks: Generic and special four-vertices}}, doi = {10.1103/PhysRevE.93.023003}, volume = {93}, year = {2016}, } @misc{5552, abstract = {Data on pollinator visitation to wild snapdragons in a natural hybrid zone, collected as part of Tom Ellis' PhD thesis (submitted February 2016). Snapdragon flowers have a mouth-like structure which pollinators must open to access nectar. We placed 5mm cellophane tags in these mouths, which are held in place by the pressure of the flower until a pollinator visits. When she opens the flower, the tag drops out, and one can infer a visit. We surveyed plants over multiple days in 2010, 2011 and 2012. Also included are data on phenotypic and demographic variables which may be explanatory variables for pollinator visitation.}, author = {Ellis, Thomas}, publisher = {Institute of Science and Technology Austria}, title = {{Pollinator visitation data for wild Antirrhinum majus plants, with phenotypic and frequency data.}}, doi = {10.15479/AT:ISTA:36}, year = {2016}, } @article{1588, abstract = {We investigate the Taylor-Couette system where the radius ratio is close to unity. Systematically increasing the Reynolds number, we observe a number of previously known transitions, such as one from the classical Taylor vortex flow (TVF) to wavy vortex flow (WVF) and the transition to fully developed turbulence. Prior to the onset of turbulence, we observe intermittent bursting patterns of localized turbulent patches, confirming the experimentally observed pattern of very short wavelength bursts (VSWBs). A striking finding is that, for a Reynolds number larger than that for the onset of VSWBs, a new type of intermittently bursting behavior emerges: patterns of azimuthally closed rings of various orders. We call them ring-bursting patterns, which surround the cylinder completely but remain localized and separated in the axial direction through nonturbulent wavy structures. We employ a number of quantitative measures including the cross-flow energy to characterize the ring-bursting patterns and to distinguish them from the background flow. These patterns are interesting because they do not occur in the wide-gap Taylor-Couette flow systems. The narrow-gap regime is less studied but certainly deserves further attention to gain deeper insights into complex flow dynamics in fluids.}, author = {Altmeyer, Sebastian and Do, Younghae and Lai, Ying}, journal = {Physical Review E}, number = {5}, publisher = {American Physical Society}, title = {{Ring-bursting behavior en route to turbulence in narrow-gap Taylor-Couette flows}}, doi = {10.1103/PhysRevE.92.053018}, volume = {92}, year = {2015}, } @article{248, abstract = {For any pencil of conics or higher-dimensional quadrics over ℚ, with all degenerate fibres defined over ℚ, we show that the Brauer–Manin obstruction controls weak approximation. The proof is based on the Hasse principle and weak approximation for some special intersections of quadrics over ℚ, which is a consequence of recent advances in additive combinatorics.}, author = {Timothy Browning and Matthiesen, Lilian and Skorobogatov, Alexei N}, journal = {Annals of Mathematics}, number = {1}, pages = {381 -- 402}, publisher = {John Hopkins University Press}, title = {{Rational points on pencils of conics and quadrics with many degenerate fibres}}, doi = {https://doi.org/10.4007/annals.2014.180.1.8}, volume = {180}, year = {2014}, } @inproceedings{2189, abstract = {En apprentissage automatique, nous parlons d'adaptation de domaine lorsque les données de test (cibles) et d'apprentissage (sources) sont générées selon différentes distributions. Nous devons donc développer des algorithmes de classification capables de s'adapter à une nouvelle distribution, pour laquelle aucune information sur les étiquettes n'est disponible. Nous attaquons cette problématique sous l'angle de l'approche PAC-Bayésienne qui se focalise sur l'apprentissage de modèles définis comme des votes de majorité sur un ensemble de fonctions. Dans ce contexte, nous introduisons PV-MinCq une version adaptative de l'algorithme (non adaptatif) MinCq. PV-MinCq suit le principe suivant. Nous transférons les étiquettes sources aux points cibles proches pour ensuite appliquer MinCq sur l'échantillon cible ``auto-étiqueté'' (justifié par une borne théorique). Plus précisément, nous définissons un auto-étiquetage non itératif qui se focalise dans les régions où les distributions marginales source et cible sont les plus similaires. Dans un second temps, nous étudions l'influence de notre auto-étiquetage pour en déduire une procédure de validation des hyperparamètres. Finalement, notre approche montre des résultats empiriques prometteurs.}, author = {Morvant, Emilie}, location = {Saint-Etienne, France}, pages = {49--58}, publisher = {Elsevier}, title = {{Adaptation de domaine de vote de majorité par auto-étiquetage non itératif}}, volume = {1}, year = {2014}, } @article{244, abstract = {We investigate the solubility of the congruence xy ≡ 1 (mod p), where p is a prime and x, y are restricted to lie in suitable short intervals. Our work relies on a mean value theorem for incomplete Kloosterman sums.}, author = {Timothy Browning and Haynes, Alan K}, journal = {International Journal of Number Theory}, number = {2}, pages = {481 -- 486}, publisher = {World Scientific Publishing}, title = {{Incomplete kloosterman sums and multiplicative inverses in short intervals}}, doi = { https://doi.org/10.1142/S1793042112501448}, volume = {9}, year = {2012}, } @article{3287, abstract = {Diffusing membrane constituents are constantly exposed to a variety of forces that influence their stochastic path. Single molecule experiments allow for resolving trajectories at extremely high spatial and temporal accuracy, thereby offering insights into en route interactions of the tracer. In this review we discuss approaches to derive information about the underlying processes, based on single molecule tracking experiments. In particular, we focus on a new versatile way to analyze single molecule diffusion in the absence of a full analytical treatment. The method is based on comprehensive comparison of an experimental data set against the hypothetical outcome of multiple experiments performed on the computer. Since Monte Carlo simulations can be easily and rapidly performed even on state-of-the-art PCs, our method provides a simple way for testing various - even complicated - diffusion models. We describe the new method in detail, and show the applicability on two specific examples: firstly, kinetic rate constants can be derived for the transient interaction of mobile membrane proteins; secondly, residence time and corral size can be extracted for confined diffusion.}, author = {Ruprecht, Verena and Axmann, Markus and Wieser, Stefan and Schuetz, Gerhard}, journal = {Current Protein & Peptide Science}, number = {8}, pages = {714 -- 724}, publisher = {Bentham Science Publishers}, title = {{What can we learn from single molecule trajectories?}}, doi = {10.2174/138920311798841753}, volume = {12}, year = {2011}, } @inproceedings{165, abstract = {We survey the state of affairs for the distribution of ℚ-rational points on non-singular del Pezzo surfaces of low degree, highlighting the recent resolution of Manin's conjecture for a non-singular del Pezzo surface of degree 4 by la Bretèche and Browning.}, author = {Timothy Browning}, editor = {Aoki, Takashi and Kanemitsu, Shigeru and Liu, Jianya}, pages = {1 -- 18}, publisher = {World Scientific Publishing}, title = {{Resent progress on the quantitative arithmetic of del Pezzo surfaces}}, doi = {https://doi.org/10.1142/9789814289924_0001}, volume = {6}, year = {2009}, } @article{17734, abstract = {Electromagnetic (EM) counterparts to supermassive black hole binary mergers observed by LISA can be localized to within the field of view of astronomical instruments ~10 deg^2 hours to weeks prior to coalescence. The temporal coincidence of any prompt EM counterpart with a gravitationally-timed merger may offer the best chance of identifying a unique host galaxy. We discuss the challenges posed by searches for prompt EM counterparts and propose novel observational strategies to address them. In particular, we discuss the size and shape evolution of the LISA localization error ellipses on the sky, and quantify the requirements for dedicated EM surveys of the area prior to coalescence. A triggered EM counterpart search campaign will require monitoring a several-square degree area. It could aim for variability at the 24-27 mag level in optical bands, for example, which corresponds to 1-10% of the Eddington luminosity of the prime LISA sources of 10^6-10^7 Msun BHs at z=1-2, on time-scales of minutes to hours, the orbital time-scale of the binary in the last 2-4 weeks. A cross-correlation of the period of any variable EM signal with the quasi-periodic gravitational waveform over 10-1000 cycles may aid the detection. Alternatively, EM searches can detect a transient signal accompanying the coalescence. We highlight the measurement of differences in the arrival times of photons and gravitons from the same cosmological source as a valuable independent test of the massive character of gravity, and of possible violations of Lorentz invariance in the gravity sector.}, author = {Kocsis, Bence and Haiman, Zoltán and Menou, Kristen}, issn = {0004-637X}, journal = {The Astrophysical Journal}, number = {2}, pages = {870--887}, publisher = {American Astronomical Society}, title = {{Premerger localization of gravitational wave standard sirens with LISA: Triggered search for an electromagnetic counterpart}}, doi = {10.1086/590230}, volume = {684}, year = {2008}, } @article{213, abstract = {For any integers d,n ≥2, let X ⊂ Pn be a non‐singular hypersurface of degree d that is defined over the rational numbers. The main result in this paper is a proof that the number of rational points on X which have height at most B is O(Bn − 1 + ɛ), for any ɛ > 0. The implied constant in this estimate depends at most upon d, ɛ and n. 2000 Mathematics Subject Classification 11D45 (primary), 11G35, 14G05 (secondary).}, author = {Timothy Browning and Heath-Brown, Roger and Starr, Jason M}, journal = {Proceedings of the London Mathematical Society}, number = {2}, pages = {273 -- 303}, publisher = {John Wiley and Sons Ltd}, title = {{The density of rational points on non-singular hypersurfaces, II}}, doi = {https://doi.org/10.1112/S0024611506015784}, volume = {93}, year = {2006}, } @article{3978, abstract = {Evaluating the quality of experimentally determined protein structural models is an essential step toward identifying potential errors and guiding further structural refinement. Herein, we report the use of proton local density as a sensitive measure to assess the quality of nuclear magnetic resonance (NMR) structures. Using 256 high-resolution crystal structures with protons added and optimized, we show that the local density of different proton types display distinct distributions. These distributions can be characterized by statistical moments and are used to establish local density Z-scores for evaluating both global and local packing for individual protons. Analysis of 546 crystal structures at various resolutions shows that the local density Z-scores increase as the structural resolution decreases and correlate well with the ClashScore (Word et al. J Mol Biol 1999;285(4):1711-1733) generated by all atom contact analysis. Local density Z-scores for NMR structures exhibit a significantly wider range of values than for X-ray structures and demonstrate a combination of potentially problematic inflation and compression. Water-refined NMR structures show improved packing quality. Our analysis of a high-quality structural ensemble of ubiquitin refined against order parameters shows proton density distributions that correlate nearly perfectly with our standards derived from crystal structures, further validating our approach. We present an automated analysis and visualization tool for proton packing to evaluate the quality of NMR structures.}, author = {Ban, Yih-En Andrew and Rudolph, Johannes and Zhou, Pei and Herbert Edelsbrunner}, journal = {Proteins: Structure, Function and Bioinformatics}, number = {4}, pages = {852 -- 864}, publisher = {Wiley-Blackwell}, title = {{Evaluating the quality of NMR structures by local density of protons}}, doi = {10.1002/prot.20811}, volume = {62}, year = {2006}, } @article{3979, abstract = {Protein-protein interactions, which form the basis for most cellular processes, result in the formation of protein interfaces. Believing that the local shape of proteins is crucial, we take a geometric approach and present a definition of an interface surface formed by two or more proteins as a subset of their Voronoi diagram. The definition deals with the difficult and important problem of specifying interface boundaries by invoking methods used in the alpha shape representation of molecules, the discrete flow on Delaunay simplices to define pockets and reconstruct surfaces, and the assessment of the importance of topological features. We present an algorithm to construct the surface and define a hierarchy that distinguishes core and peripheral regions. This hierarchy is shown to have correlation with hot-spots in protein-protein interactions. Finally, we study the geometric and topological properties of interface surfaces and show their high degree of contortion.}, author = {Ban, Yih-En Andrew and Herbert Edelsbrunner and Rudolph, Johannes}, journal = {Journal of the ACM}, number = {3}, pages = {361 -- 378}, publisher = {ACM}, title = {{Interface surfaces for protein-protein complexes}}, doi = {10.1145/1147954.1147957}, volume = {53}, year = {2006}, } @article{212, abstract = {For any n ≧ 2, let F ∈ ℤ [ x 1, … , xn ] be a form of degree d≧ 2, which produces a geometrically irreducible hypersurface in ℙn–1. This paper is concerned with the number N(F;B) of rational points on F = 0 which have height at most B. For any ε > 0 we establish the estimate N(F; B) = O(B n− 2+ ε ), whenever either n ≦ 5 or the hypersurface is not a union of lines. Here the implied constant depends at most upon d, n and ε.}, author = {Timothy Browning and Heath-Brown, Roger}, journal = {Journal fur die Reine und Angewandte Mathematik}, number = {584}, pages = {83 -- 115}, publisher = {Walter de Gruyter and Co }, title = {{Counting rational points on hypersurfaces}}, doi = {https://doi.org/10.1515/crll.2005.2005.584.83}, year = {2005}, }