@article{13179, abstract = {Writing concurrent code that is both correct and efficient is notoriously difficult. Thus, programmers often prefer to use synchronization abstractions, which render code simpler and easier to reason about. Despite a wealth of work on this topic, there is still a gap between the rich semantics provided by synchronization abstractions in modern programming languages—specifically, fair FIFO ordering of synchronization requests and support for abortable operations—and frameworks for implementing it correctly and efficiently. Supporting such semantics is critical given the rising popularity of constructs for asynchronous programming, such as coroutines, which abort frequently and are cheaper to suspend and resume compared to native threads. This paper introduces a new framework called CancellableQueueSynchronizer (CQS), which enables simple yet efficient implementations of a wide range of fair and abortable synchronization primitives: mutexes, semaphores, barriers, count-down latches, and blocking pools. Our main contribution is algorithmic, as implementing both fairness and abortability efficiently at this level of generality is non-trivial. Importantly, all our algorithms, including the CQS framework and the primitives built on top of it, come with formal proofs in the Iris framework for Coq for many of their properties. These proofs are modular, so it is easy to show correctness for new primitives implemented on top of CQS. From a practical perspective, implementation of CQS for native threads on the JVM improves throughput by up to two orders of magnitude over Java’s AbstractQueuedSynchronizer, the only practical abstraction offering similar semantics. Further, we successfully integrated CQS as a core component of the popular Kotlin Coroutines library, validating the framework’s practical impact and expressiveness in a real-world environment. In sum, CancellableQueueSynchronizer is the first framework to combine expressiveness with formal guarantees and solid practical performance. Our approach should be extensible to other languages and families of synchronization primitives.}, author = {Koval, Nikita and Khalanskiy, Dmitry and Alistarh, Dan-Adrian}, issn = {2475-1421}, journal = {Proceedings of the ACM on Programming Languages}, publisher = {Association for Computing Machinery }, title = {{CQS: A formally-verified framework for fair and abortable synchronization}}, doi = {10.1145/3591230}, volume = {7}, year = {2023}, } @article{13180, abstract = {We study the density of everywhere locally soluble diagonal quadric surfaces, parameterised by rational points that lie on a split quadric surface}, author = {Browning, Timothy D and Lyczak, Julian and Sarapin, Roman}, issn = {1944-4184}, journal = {Involve}, number = {2}, pages = {331--342}, publisher = {Mathematical Sciences Publishers}, title = {{Local solubility for a family of quadrics over a split quadric surface}}, doi = {10.2140/involve.2023.16.331}, volume = {16}, year = {2023}, } @inproceedings{13236, abstract = {We present an auction algorithm using multiplicative instead of constant weight updates to compute a (1−ε)-approximate maximum weight matching (MWM) in a bipartite graph with n vertices and m edges in time O(mε−1log(ε−1)), matching the running time of the linear-time approximation algorithm of Duan and Pettie [JACM ’14]. Our algorithm is very simple and it can be extended to give a dynamic data structure that maintains a (1−ε)-approximate maximum weight matching under (1) one-sided vertex deletions (with incident edges) and (2) one-sided vertex insertions (with incident edges sorted by weight) to the other side. The total time time used is O(mε−1log(ε−1)), where m is the sum of the number of initially existing and inserted edges.}, author = {Zheng, Da Wei and Henzinger, Monika H}, booktitle = {International Conference on Integer Programming and Combinatorial Optimization}, isbn = {9783031327254}, issn = {1611-3349}, location = {Madison, WI, United States}, pages = {453--465}, publisher = {Springer Nature}, title = {{Multiplicative auction algorithm for approximate maximum weight bipartite matching}}, doi = {10.1007/978-3-031-32726-1_32}, volume = {13904}, year = {2023}, } @inproceedings{13162, author = {Elefante, Stefano and Stadlbauer, Stephan and Alexander, Michael F and Schlögl, Alois}, booktitle = {ASHPC23 - Austrian-Slovenian HPC Meeting 2023}, location = {Maribor, Slovenia}, pages = {42--42}, publisher = {EuroCC}, title = {{Cryo-EM software packages: A sys-admins point of view}}, year = {2023}, } @inproceedings{13161, author = {Schlögl, Alois and Elefante, Stefano and Hodirnau, Victor-Valentin}, booktitle = {ASHPC23 - Austrian-Slovenian HPC Meeting 2023}, location = {Maribor, Slovenia}, pages = {59--59}, publisher = {EuroCC}, title = {{Running Windows-applications on a Linux HPC cluster using WINE}}, year = {2023}, } @article{13251, abstract = {A rotating organic cation and a dynamically disordered soft inorganic cage are the hallmark features of organic-inorganic lead-halide perovskites. Understanding the interplay between these two subsystems is a challenging problem, but it is this coupling that is widely conjectured to be responsible for the unique behavior of photocarriers in these materials. In this work, we use the fact that the polarizability of the organic cation strongly depends on the ambient electrostatic environment to put the molecule forward as a sensitive probe of the local crystal fields inside the lattice cell. We measure the average polarizability of the C/N–H bond stretching mode by means of infrared spectroscopy, which allows us to deduce the character of the motion of the cation molecule, find the magnitude of the local crystal field, and place an estimate on the strength of the hydrogen bond between the hydrogen and halide atoms. Our results pave the way for understanding electric fields in lead-halide perovskites using infrared bond spectroscopy.}, author = {Wei, Yujing and Volosniev, Artem and Lorenc, Dusan and Zhumekenov, Ayan A. and Bakr, Osman M. and Lemeshko, Mikhail and Alpichshev, Zhanybek}, issn = {1948-7185}, journal = {The Journal of Physical Chemistry Letters}, keywords = {General Materials Science, Physical and Theoretical Chemistry}, number = {27}, pages = {6309--6314}, publisher = {American Chemical Society}, title = {{Bond polarizability as a probe of local crystal fields in hybrid lead-halide perovskites}}, doi = {10.1021/acs.jpclett.3c01158}, volume = {14}, year = {2023}, } @inproceedings{13292, abstract = {The operator precedence languages (OPLs) represent the largest known subclass of the context-free languages which enjoys all desirable closure and decidability properties. This includes the decidability of language inclusion, which is the ultimate verification problem. Operator precedence grammars, automata, and logics have been investigated and used, for example, to verify programs with arithmetic expressions and exceptions (both of which are deterministic pushdown but lie outside the scope of the visibly pushdown languages). In this paper, we complete the picture and give, for the first time, an algebraic characterization of the class of OPLs in the form of a syntactic congruence that has finitely many equivalence classes exactly for the operator precedence languages. This is a generalization of the celebrated Myhill-Nerode theorem for the regular languages to OPLs. As one of the consequences, we show that universality and language inclusion for nondeterministic operator precedence automata can be solved by an antichain algorithm. Antichain algorithms avoid determinization and complementation through an explicit subset construction, by leveraging a quasi-order on words, which allows the pruning of the search space for counterexample words without sacrificing completeness. Antichain algorithms can be implemented symbolically, and these implementations are today the best-performing algorithms in practice for the inclusion of finite automata. We give a generic construction of the quasi-order needed for antichain algorithms from a finite syntactic congruence. This yields the first antichain algorithm for OPLs, an algorithm that solves the ExpTime-hard language inclusion problem for OPLs in exponential time.}, author = {Henzinger, Thomas A and Kebis, Pavol and Mazzocchi, Nicolas Adrien and Sarac, Naci E}, booktitle = {50th International Colloquium on Automata, Languages, and Programming}, isbn = {9783959772785}, issn = {1868-8969}, location = {Paderborn, Germany}, pages = {129:1----129:20}, publisher = {Schloss Dagstuhl - Leibniz-Zentrum für Informatik}, title = {{Regular methods for operator precedence languages}}, doi = {10.4230/LIPIcs.ICALP.2023.129}, volume = {261}, year = {2023}, } @article{13277, abstract = {Recent experimental advances have inspired the development of theoretical tools to describe the non-equilibrium dynamics of quantum systems. Among them an exact representation of quantum spin systems in terms of classical stochastic processes has been proposed. Here we provide first steps towards the extension of this stochastic approach to bosonic systems by considering the one-dimensional quantum quartic oscillator. We show how to exactly parameterize the time evolution of this prototypical model via the dynamics of a set of classical variables. We interpret these variables as stochastic processes, which allows us to propose a novel way to numerically simulate the time evolution of the system. We benchmark our findings by considering analytically solvable limits and providing alternative derivations of known results.}, author = {Tucci, Gennaro and De Nicola, Stefano and Wald, Sascha and Gambassi, Andrea}, issn = {2666-9366}, journal = {SciPost Physics Core}, keywords = {Statistical and Nonlinear Physics, Atomic and Molecular Physics, and Optics, Nuclear and High Energy Physics, Condensed Matter Physics}, number = {2}, publisher = {SciPost Foundation}, title = {{Stochastic representation of the quantum quartic oscillator}}, doi = {10.21468/scipostphyscore.6.2.029}, volume = {6}, year = {2023}, } @article{13276, abstract = {We introduce a generic and accessible implementation of an exact diagonalization method for studying few-fermion models. Our aim is to provide a testbed for the newcomers to the field as well as a stepping stone for trying out novel optimizations and approximations. This userguide consists of a description of the algorithm, and several examples in varying orders of sophistication. In particular, we exemplify our routine using an effective-interaction approach that fixes the low-energy physics. We benchmark this approach against the existing data, and show that it is able to deliver state-of-the-art numerical results at a significantly reduced computational cost.}, author = {Rammelmüller, Lukas and Huber, David and Volosniev, Artem}, issn = {2949-804X}, journal = {SciPost Physics Codebases}, publisher = {SciPost Foundation}, title = {{A modular implementation of an effective interaction approach for harmonically trapped fermions in 1D}}, doi = {10.21468/scipostphyscodeb.12}, year = {2023}, } @misc{13275, abstract = {We introduce a generic and accessible implementation of an exact diagonalization method for studying few-fermion models. Our aim is to provide a testbed for the newcomers to the field as well as a stepping stone for trying out novel optimizations and approximations. This userguide consists of a description of the algorithm, and several examples in varying orders of sophistication. In particular, we exemplify our routine using an effective-interaction approach that fixes the low-energy physics. We benchmark this approach against the existing data, and show that it is able to deliver state-of-the-art numerical results at a significantly reduced computational cost.}, author = {Rammelmüller, Lukas and Huber, David and Volosniev, Artem}, publisher = {SciPost Foundation}, title = {{Codebase release 1.0 for FermiFCI}}, doi = {10.21468/scipostphyscodeb.12-r1.0}, year = {2023}, } @inproceedings{13262, abstract = {Determining the degree of inherent parallelism in classical sequential algorithms and leveraging it for fast parallel execution is a key topic in parallel computing, and detailed analyses are known for a wide range of classical algorithms. In this paper, we perform the first such analysis for the fundamental Union-Find problem, in which we are given a graph as a sequence of edges, and must maintain its connectivity structure under edge additions. We prove that classic sequential algorithms for this problem are well-parallelizable under reasonable assumptions, addressing a conjecture by [Blelloch, 2017]. More precisely, we show via a new potential argument that, under uniform random edge ordering, parallel union-find operations are unlikely to interfere: T concurrent threads processing the graph in parallel will encounter memory contention O(T2 · log |V| · log |E|) times in expectation, where |E| and |V| are the number of edges and nodes in the graph, respectively. We leverage this result to design a new parallel Union-Find algorithm that is both internally deterministic, i.e., its results are guaranteed to match those of a sequential execution, but also work-efficient and scalable, as long as the number of threads T is O(|E|1 over 3 - ε), for an arbitrarily small constant ε > 0, which holds for most large real-world graphs. We present lower bounds which show that our analysis is close to optimal, and experimental results suggesting that the performance cost of internal determinism is limited.}, author = {Fedorov, Alexander and Hashemi, Diba and Nadiradze, Giorgi and Alistarh, Dan-Adrian}, booktitle = {Proceedings of the 35th ACM Symposium on Parallelism in Algorithms and Architectures}, isbn = {9781450395458}, location = {Orlando, FL, United States}, pages = {261--271}, publisher = {Association for Computing Machinery}, title = {{Provably-efficient and internally-deterministic parallel Union-Find}}, doi = {10.1145/3558481.3591082}, year = {2023}, } @article{11479, abstract = {Understanding population divergence that eventually leads to speciation is essential for evolutionary biology. High species diversity in the sea was regarded as a paradox when strict allopatry was considered necessary for most speciation events because geographical barriers seemed largely absent in the sea, and many marine species have high dispersal capacities. Combining genome-wide data with demographic modelling to infer the demographic history of divergence has introduced new ways to address this classical issue. These models assume an ancestral population that splits into two subpopulations diverging according to different scenarios that allow tests for periods of gene flow. Models can also test for heterogeneities in population sizes and migration rates along the genome to account, respectively, for background selection and selection against introgressed ancestry. To investigate how barriers to gene flow arise in the sea, we compiled studies modelling the demographic history of divergence in marine organisms and extracted preferred demographic scenarios together with estimates of demographic parameters. These studies show that geographical barriers to gene flow do exist in the sea but that divergence can also occur without strict isolation. Heterogeneity of gene flow was detected in most population pairs suggesting the predominance of semipermeable barriers during divergence. We found a weak positive relationship between the fraction of the genome experiencing reduced gene flow and levels of genome-wide differentiation. Furthermore, we found that the upper bound of the ‘grey zone of speciation’ for our dataset extended beyond that found before, implying that gene flow between diverging taxa is possible at higher levels of divergence than previously thought. Finally, we list recommendations for further strengthening the use of demographic modelling in speciation research. These include a more balanced representation of taxa, more consistent and comprehensive modelling, clear reporting of results and simulation studies to rule out nonbiological explanations for general results.}, author = {De Jode, Aurélien and Le Moan, Alan and Johannesson, Kerstin and Faria, Rui and Stankowski, Sean and Westram, Anja M and Butlin, Roger K. and Rafajlović, Marina and Fraisse, Christelle}, issn = {1752-4571}, journal = {Evolutionary Applications}, number = {2}, pages = {542--559}, publisher = {Wiley}, title = {{Ten years of demographic modelling of divergence and speciation in the sea}}, doi = {10.1111/eva.13428}, volume = {16}, year = {2023}, } @article{12329, abstract = {In this article, we develop two independent and new approaches to model epidemic spread in a network. Contrary to the most studied models, those developed here allow for contacts with different probabilities of transmitting the disease (transmissibilities). We then examine each of these models using some mean field type approximations. The first model looks at the late-stage effects of an epidemic outbreak and allows for the computation of the probability that a given vertex was infected. This computation is based on a mean field approximation and only depends on the number of contacts and their transmissibilities. This approach shares many similarities with percolation models in networks. The second model we develop is a dynamic model which we analyze using a mean field approximation which highly reduces the dimensionality of the system. In particular, the original system which individually analyses each vertex of the network is reduced to one with as many equations as different transmissibilities. Perhaps the greatest contribution of this article is the observation that, in both these models, the existence and size of an epidemic outbreak are linked to the properties of a matrix which we call the R-matrix. This is a generalization of the basic reproduction number which more precisely characterizes the main routes of infection.}, author = {Gómez, Arturo and Oliveira, Goncalo}, issn = {2045-2322}, journal = {Scientific Reports}, publisher = {Springer Nature}, title = {{New approaches to epidemic modeling on networks}}, doi = {10.1038/s41598-022-19827-9}, volume = {13}, year = {2023}, } @article{9034, abstract = {We determine an asymptotic formula for the number of integral points of bounded height on a blow-up of P3 outside certain planes using universal torsors.}, author = {Wilsch, Florian Alexander}, issn = {1687-0247}, journal = {International Mathematics Research Notices}, number = {8}, pages = {6780--6808}, publisher = {Oxford Academic}, title = {{Integral points of bounded height on a log Fano threefold}}, doi = {10.1093/imrn/rnac048}, volume = {2023}, year = {2023}, } @article{12469, abstract = {Hosts can carry many viruses in their bodies, but not all of them cause disease. We studied ants as a social host to determine both their overall viral repertoire and the subset of actively infecting viruses across natural populations of three subfamilies: the Argentine ant (Linepithema humile, Dolichoderinae), the invasive garden ant (Lasius neglectus, Formicinae) and the red ant (Myrmica rubra, Myrmicinae). We used a dual sequencing strategy to reconstruct complete virus genomes by RNA-seq and to simultaneously determine the small interfering RNAs (siRNAs) by small RNA sequencing (sRNA-seq), which constitute the host antiviral RNAi immune response. This approach led to the discovery of 41 novel viruses in ants and revealed a host ant-specific RNAi response (21 vs. 22 nt siRNAs) in the different ant species. The efficiency of the RNAi response (sRNA/RNA read count ratio) depended on the virus and the respective ant species, but not its population. Overall, we found the highest virus abundance and diversity per population in Li. humile, followed by La. neglectus and M. rubra. Argentine ants also shared a high proportion of viruses between populations, whilst overlap was nearly absent in M. rubra. Only one of the 59 viruses was found to infect two of the ant species as hosts, revealing high host-specificity in active infections. In contrast, six viruses actively infected one ant species, but were found as contaminants only in the others. Disentangling spillover of disease-causing infection from non-infecting contamination across species is providing relevant information for disease ecology and ecosystem management.}, author = {Viljakainen, Lumi and Fürst, Matthias and Grasse, Anna V and Jurvansuu, Jaana and Oh, Jinook and Tolonen, Lassi and Eder, Thomas and Rattei, Thomas and Cremer, Sylvia}, issn = {1664-302X}, journal = {Frontiers in Microbiology}, publisher = {Frontiers}, title = {{Antiviral immune response reveals host-specific virus infections in natural ant populations}}, doi = {10.3389/fmicb.2023.1119002}, volume = {14}, year = {2023}, } @article{12287, abstract = {We present criteria for establishing a triangulation of a manifold. Given a manifold M, a simplicial complex A, and a map H from the underlying space of A to M, our criteria are presented in local coordinate charts for M, and ensure that H is a homeomorphism. These criteria do not require a differentiable structure, or even an explicit metric on M. No Delaunay property of A is assumed. The result provides a triangulation guarantee for algorithms that construct a simplicial complex by working in local coordinate patches. Because the criteria are easily verified in such a setting, they are expected to be of general use.}, author = {Boissonnat, Jean-Daniel and Dyer, Ramsay and Ghosh, Arijit and Wintraecken, Mathijs}, issn = {1432-0444}, journal = {Discrete & Computational Geometry}, keywords = {Computational Theory and Mathematics, Discrete Mathematics and Combinatorics, Geometry and Topology, Theoretical Computer Science}, pages = {156--191}, publisher = {Springer Nature}, title = {{Local criteria for triangulating general manifolds}}, doi = {10.1007/s00454-022-00431-7}, volume = {69}, year = {2023}, } @article{12165, abstract = {It may come as a surprise that a phenomenon as ubiquitous and prominent as the transition from laminar to turbulent flow has resisted combined efforts by physicists, engineers and mathematicians, and remained unresolved for almost one and a half centuries. In recent years, various studies have proposed analogies to directed percolation, a well-known universality class in statistical mechanics, which describes a non-equilibrium phase transition from a fluctuating active phase into an absorbing state. It is this unlikely relation between the multiscale, high-dimensional dynamics that signify the transition process in virtually all flows of practical relevance, and the arguably most basic non-equilibrium phase transition, that so far has mainly been the subject of model studies, which I review in this Perspective.}, author = {Hof, Björn}, issn = {2522-5820}, journal = {Nature Reviews Physics}, keywords = {General Physics and Astronomy}, pages = {62--72}, publisher = {Springer Nature}, title = {{Directed percolation and the transition to turbulence}}, doi = {10.1038/s42254-022-00539-y}, volume = {5}, year = {2023}, } @article{12421, abstract = {The actin cytoskeleton plays a key role in cell migration and cellular morphodynamics in most eukaryotes. The ability of the actin cytoskeleton to assemble and disassemble in a spatiotemporally controlled manner allows it to form higher-order structures, which can generate forces required for a cell to explore and navigate through its environment. It is regulated not only via a complex synergistic and competitive interplay between actin-binding proteins (ABP), but also by filament biochemistry and filament geometry. The lack of structural insights into how geometry and ABPs regulate the actin cytoskeleton limits our understanding of the molecular mechanisms that define actin cytoskeleton remodeling and, in turn, impact emerging cell migration characteristics. With the advent of cryo-electron microscopy (cryo-EM) and advanced computational methods, it is now possible to define these molecular mechanisms involving actin and its interactors at both atomic and ultra-structural levels in vitro and in cellulo. In this review, we will provide an overview of the available cryo-EM methods, applicable to further our understanding of the actin cytoskeleton, specifically in the context of cell migration. We will discuss how these methods have been employed to elucidate ABP- and geometry-defined regulatory mechanisms in initiating, maintaining, and disassembling cellular actin networks in migratory protrusions.}, author = {Fäßler, Florian and Javoor, Manjunath and Schur, Florian KM}, issn = {1470-8752}, journal = {Biochemical Society Transactions}, keywords = {Biochemistry}, number = {1}, pages = {87--99}, publisher = {Portland Press}, title = {{Deciphering the molecular mechanisms of actin cytoskeleton regulation in cell migration using cryo-EM}}, doi = {10.1042/bst20220221}, volume = {51}, year = {2023}, } @article{12105, abstract = {Data-driven dimensionality reduction methods such as proper orthogonal decomposition and dynamic mode decomposition have proven to be useful for exploring complex phenomena within fluid dynamics and beyond. A well-known challenge for these techniques is posed by the continuous symmetries, e.g. translations and rotations, of the system under consideration, as drifts in the data dominate the modal expansions without providing an insight into the dynamics of the problem. In the present study, we address this issue for fluid flows in rectangular channels by formulating a continuous symmetry reduction method that eliminates the translations in the streamwise and spanwise directions simultaneously. We demonstrate our method by computing the symmetry-reduced dynamic mode decomposition (SRDMD) of sliding windows of data obtained from the transitional plane-Couette and turbulent plane-Poiseuille flow simulations. In the former setting, SRDMD captures the dynamics in the vicinity of the invariant solutions with translation symmetries, i.e. travelling waves and relative periodic orbits, whereas in the latter, our calculations reveal episodes of turbulent time evolution that can be approximated by a low-dimensional linear expansion.}, author = {Marensi, Elena and Yalniz, Gökhan and Hof, Björn and Budanur, Nazmi B}, issn = {1469-7645}, journal = {Journal of Fluid Mechanics}, publisher = {Cambridge University Press}, title = {{Symmetry-reduced dynamic mode decomposition of near-wall turbulence}}, doi = {10.1017/jfm.2022.1001}, volume = {954}, year = {2023}, } @article{12514, abstract = {The concept of a “speciation continuum” has gained popularity in recent decades. It emphasizes speciation as a continuous process that may be studied by comparing contemporary population pairs that show differing levels of divergence. In their recent perspective article in Evolution, Stankowski and Ravinet provided a valuable service by formally defining the speciation continuum as a continuum of reproductive isolation, based on opinions gathered from a survey of speciation researchers. While we agree that the speciation continuum has been a useful concept to advance the understanding of the speciation process, some intrinsic limitations exist. Here, we advocate for a multivariate extension, the speciation hypercube, first proposed by Dieckmann et al. in 2004, but rarely used since. We extend the idea of the speciation cube and suggest it has strong conceptual and practical advantages over a one-dimensional model. We illustrate how the speciation hypercube can be used to visualize and compare different speciation trajectories, providing new insights into the processes and mechanisms of speciation. A key strength of the speciation hypercube is that it provides a unifying framework for speciation research, as it allows questions from apparently disparate subfields to be addressed in a single conceptual model.}, author = {Bolnick, Daniel I. and Hund, Amanda K. and Nosil, Patrik and Peng, Foen and Ravinet, Mark and Stankowski, Sean and Subramanian, Swapna and Wolf, Jochen B.W. and Yukilevich, Roman}, issn = {1558-5646}, journal = {Evolution: International journal of organic evolution}, number = {1}, pages = {318--328}, publisher = {Oxford University Press}, title = {{A multivariate view of the speciation continuum}}, doi = {10.1093/evolut/qpac004}, volume = {77}, year = {2023}, }