Processor Allocation for Optimistic Parallelization of Irregular Programs

Optimistic parallelization is a promising approach for the parallelization of irregular algorithms: potentially interfering tasks are launched dynamically, and the runtime system detects conflicts between concurrent activities, aborting and rolling back conflicting tasks. However, parallelism in irregular algorithms is very complex. In a regular algorithm like dense matrix multiplication, the amount of parallelism can usually be expressed as a function of the problem size, so it is reasonably straightforward to determine how many processors should be allocated to execute a regular algorithm of a certain size (this is called the processor allocation problem). In contrast, parallelism in irregular algorithms can be a function of input parameters, and the amount of parallelism can vary dramatically during the execution of the irregular algorithm. Therefore, the processor allocation problem for irregular algorithms is very difficult. In this paper, we describe the first systematic strategy for addressing this problem. Our approach is based on a construct called the conflict graph, which (i) provides insight into the amount of parallelism that can be extracted from an irregular algorithm, and (ii) can be used to address the processor allocation problem for irregular algorithms. We show that this problem is related to a generalization of the unfriendly seating problem and, by extending Tur\'an's theorem, we obtain a worst-case class of problems for optimistic parallelization, which we use to derive a lower bound on the exploitable parallelism. Finally, using some theoretically derived properties and some experimental facts, we design a quick and stable control strategy for solving the processor allocation problem heuristically.Comment: 12 pages, 3 figures, extended version of SPAA 2011 brief announcemen

Fast genome-wide functional annotation through orthology assignment by eggNOG-mapper

Orthology assignment is ideally suited for functional inference. However, because predicting orthology is computationally intensive at large scale, and most pipelines relatively inaccessible, less precise homology-based functional transfer is still the default for (meta-)genome annotation. We therefore developed eggNOG-mapper, a tool for functional annotation of large sets of sequences based on fast orthology assignments using precomputed clusters and phylogenies from eggNOG. To validate our method, we benchmarked Gene Ontology predictions against two widely used homology-based approaches: BLAST and InterProScan. Compared to BLAST, eggNOG-mapper reduced by 7% the rate of false positive assignments, and increased by 19% the ratio of curated terms recovered over all terms assigned per protein. Compared to InterProScan, eggNOG-mapper achieved similar proteome coverage and precision, while predicting on average 32 more terms per protein and increasing by 26% the rate of curated terms recovered over total term assignments per protein. Through strict orthology assignments, eggNOG-mapper further renders more specific annotations than possible from domain similarity only (e.g. predicting gene family names). eggNOG-mapper runs ~15x than BLAST and at least 2.5x faster than InterProScan. The tool is available standalone or as an online service at http://eggnog-mapper.embl.de

STITCH 4: integration of protein-chemical interactions with user data

STITCH is a database of protein-chemical interactions that integrates many sources of experimental and manually curated evidence with text-mining information and interaction predictions. Available at http://stitch.embl.de, the resulting interaction network includes 390 000 chemicals and 3.6 million proteins from 1133 organisms. Compared with the previous version, the number of high-confidence protein-chemical interactions in human has increased by 45%, to 367 000. In this version, we added features for users to upload their own data to STITCH in the form of internal identifiers, chemical structures or quantitative data. For example, a user can now upload a spreadsheet with screening hits to easily check which interactions are already known. To increase the coverage of STITCH, we expanded the text mining to include full-text articles and added a prediction method based on chemical structures. We further changed our scheme for transferring interactions between species to rely on orthology rather than protein similarity. This improves the performance within protein families, where scores are now transferred only to orthologous proteins, but not to paralogous proteins. STITCH can be accessed with a web-interface, an API and downloadable files

Diffusion of gold nanoclusters on graphite

We present a detailed molecular-dynamics study of the diffusion and coalescence of large (249-atom) gold clusters on graphite surfaces. The diffusivity of monoclusters is found to be comparable to that for single adatoms. Likewise, and even more important, cluster dimers are also found to diffuse at a rate which is comparable to that for adatoms and monoclusters. As a consequence, large islands formed by cluster aggregation are also expected to be mobile. Using kinetic Monte Carlo simulations, and assuming a proper scaling law for the dependence on size of the diffusivity of large clusters, we find that islands consisting of as many as 100 monoclusters should exhibit significant mobility. This result has profound implications for the morphology of cluster-assembled materials

Economic and Market Analysis of CO2 Utilization Technologies – Focus on CO2 derived from North Dakota lignite

AbstractBased on information obtained about the technical aspects of the technologies, several challenges are expected to be faced by any potential CO2 utilization technologies intended for North Dakota lignite plants. The weather, alkaline content of lignite fly ash, and space limitations in the immediate vicinity of existing power plants are challenging hurdles to overcome. Currently, no CO2 utilization option is ready for implementation or integration with North Dakota power plants. Mineralization technologies suffer from the lack of a well-defined product and insufficient alkalinity in lignite fly ash. Algae and microalgae technologies are not economically feasible and will have weather- related challenges

Nonorientable spacetime tunneling

Misner space is generalized to have the nonorientable topology of a Klein bottle, and it is shown that in a classical spacetime with multiply connected space slices having such a topology, closed timelike curves are formed. Different regions on the Klein bottle surface can be distinguished which are separated by apparent horizons fixed at particular values of the two angular variables that eneter the metric. Around the throat of this tunnel (which we denote a Klein bottlehole), the position of these horizons dictates an ordinary and exotic matter distribution such that, in addition to the known diverging lensing action of wormholes, a converging lensing action is also present at the mouths. Associated with this matter distribution, the accelerating version of this Klein bottlehole shows four distinct chronology horizons, each with its own nonchronal region. A calculation of the quantum vacuum fluctuations performed by using the regularized two-point Hadamard function shows that each chronology horizon nests a set of polarized hypersurfaces where the renormalized momentum-energy tensor diverges. This quantum instability can be prevented if we take the accelerating Klein bottlehole to be a generalization of a modified Misner space in which the period of the closed spatial direction is time-dependent. In this case, the nonchronal regions and closed timelike curves cannot exceed a minimum size of the order the Planck scale.Comment: 11 pages, RevTex, Accepted in Phys. Rev.

STRING v11: protein-protein association networks with increased coverage, supporting functional discovery in genome-wide experimental datasets

Proteins and their functional interactions form the backbone of the cellular machinery. Their connectivity network needs to be considered for the full understanding of biological phenomena, but the available information on protein-protein associations is incomplete and exhibits varying levels of annotation granularity and reliability. The STRING database aims to collect, score and integrate all publicly available sources of protein-protein interaction information, and to complement these with computational predictions. Its goal is to achieve a comprehensive and objective global network, including direct (physical) as well as indirect (functional) interactions. The latest version of STRING (11.0) more than doubles the number of organisms it covers, to 5090. The most important new feature is an option to upload entire, genome-wide datasets as input, allowing users to visualize subsets as interaction networks and to perform gene-set enrichment analysis on the entire input. For the enrichment analysis, STRING implements well-known classification systems such as Gene Ontology and KEGG, but also offers additional, new classification systems based on high-throughput text-mining as well as on a hierarchical clustering of the association network itself. The STRING resource is available online at https://string-db.org/

eggNOG 5.0: a hierarchical, functionally and phylogenetically annotated orthology resource based on 5090 organisms and 2502 viruses

eggNOG is a public database of orthology relationships, gene evolutionary histories and functional annotations. Here, we present version 5.0, featuring a major update of the underlying genome sets, which have been expanded to 4445 representative bacteria and 168 archaea derived from 25 038 genomes, as well as 477 eukaryotic organisms and 2502 viral proteomes that were selected for diversity and filtered by genome quality. In total, 4.4M orthologous groups (OGs) distributed across 379 taxonomic levels were computed together with their associated sequence alignments, phylogenies, HMM models and functional descriptors. Precomputed evolutionary analysis provides fine-grained resolution of duplication/speciation events within each OG. Our benchmarks show that, despite doubling the amount of genomes, the quality of orthology assignments and functional annotations (80% coverage) has persisted without significant changes across this update. Finally, we improved eggNOG online services for fast functional annotation and orthology prediction of custom genomics or metagenomics datasets. All precomputed data are publicly available for downloading or via API queries at http://eggnog.embl.de

STRING v10: protein-protein interaction networks, integrated over the tree of life

The many functional partnerships and interactions that occur between proteins are at the core of cellular processing and their systematic characterization helps to provide context in molecular systems biology. However, known and predicted interactions are scattered over multiple resources, and the available data exhibit notable differences in terms of quality and completeness. The STRING database (http://string-db.org) aims to provide a critical assessment and integration of protein-protein interactions, including direct (physical) as well as indirect (functional) associations. The new version 10.0 of STRING covers more than 2000 organisms, which has necessitated novel, scalable algorithms for transferring interaction information between organisms. For this purpose, we have introduced hierarchical and self-consistent orthology annotations for all interacting proteins, grouping the proteins into families at various levels of phylogenetic resolution. Further improvements in version 10.0 include a completely redesigned prediction pipeline for inferring protein-protein associations from co-expression data, an API interface for the R computing environment and improved statistical analysis for enrichment tests in user-provided networks