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Samatova, Nagiza F.

Publications and source records attributed to Samatova, Nagiza F..

Toward Personalized Network Biomarkers in Alzheimer's Disease: Computing Individualized Genomic and Protein Crosstalk Maps

We call for the AD field to move beyond discrete biomarkers and utilize the full power of informatics and big data approaches to build and test personalized markers at a pathway and network level. While we have chosen AD as an example, the issues we propose are also highly relevant to other neurodegenerative disorders, such as vascular dementia or dementia with Lewy bodies, where even less is known about how various biomarkers interact. Indeed, the availability of rich biomarker data across a range of neurodegenerative disorders would enable more accurate pathology-based classification of such conditions (as opposed to the current predominantly clinical classifications). We further hypothesize that building dynamic network biomarkers and pathway crosstalk reference maps using the combined power of several protein/gene-level knowledge priors could accelerate discovery of disease-specific mechanisms and novel drug targets by enrichment with patient specific genetic information. Application of this methodology to large public AD datasets is needed to test our hypotheses and refine the methods. Subsequent replication in independent datasets and population studies as well as functional validation of mechanisms in laboratory models will be the next steps. Ultimately, it is our hope that such novel methods may yield further insights into both disease mechanisms as well as novel targets for biomarker development and drug discovery.

60 APPLIED LIFE SCIENCES↗

Usage Pattern-Driven Dynamic Data Layout Reorganization

As scientific simulations and experiments move toward extremely large scales and generate massive amounts of data, the data access performance of analytic applications becomes crucial. A mismatch often happens between write and read patterns of data accesses, typically resulting in poor read performance. Data layout reorganization has been used to improve the locality of data accesses. However, current data reorganizations are static and focus on generating a single (or set of) optimized layouts that rely on prior knowledge of exact future access patterns. We propose a framework that dynamically recognizes the data usage patterns, replicates the data of interest in multiple reorganized layouts that would benefit common read patterns, and makes runtime decisions on selecting a favorable layout for a given read pattern. This framework supports reading individual elements and chunks of a multi-dimensional array of variables. Our pattern-driven layout selection strategy achieves multi-fold speedups compared to reading from the original dataset.

97 MATHEMATICS AND COMPUTING↗

Exploring Memory Hierarchy to Improve Scientific Data Read Performance, In: 2015 IEEE International Conference on Cluster Computing

Improving read performance is one of the major challenges with speeding up scientific data analytic applications. Utilizing the memory hierarchy is one major line of researches to address the read performance bottleneck. Related methods usually combine solide-state-drives(SSDs) with dynamic random-access memory(DRAM) and/or parallel file system(PFS) to mitigate the speed and space gap between DRAM and PFS. However, these methods are unable to handle key performance issues plaguing SSDs, namely read contention that may cause up to 50% performance reduction. In this paper, we propose a framework that exploits the memory hierarchy resource to address the read contention issues involved with SSDs. The framework employs a general purpose online read algorithm that able to detect and utilize memory hierarchy resource to relieve the problem. To maintain a near optimal operating environment for SSDs, the framework is able to orchastrate data chunks across different memory layers to facilitate the read algorithm. Compared to existing tools, our framework achieves up to 50% read performance improvement when tested on datasets from real-world scientific simulations.

Computer Science↗

An efficient algorithm for pairwise local alignment of protein interaction networks

Recently, researchers seeking to understand, modify, and create beneficial traits in organisms have looked for evolutionarily conserved patterns of protein interactions. Their conservation likely means that the proteins of these conserved functional modules are important to the trait's expression. In this paper, we formulate the problem of identifying these conserved patterns as a graph optimization problem, and develop a fast heuristic algorithm for this problem. We compare the performance of our network alignment algorithm to that of the MaWISh algorithm [Koyuturk M, Kim Y, Topkara U, Subramaniam S, Szpankowski W, Grama A, Pairwise alignment of protein interaction networks, J Comput Biol 13(2): 182-199, 2006.], which bases its search algorithm on a related decision problem formulation. We find that our algorithm discovers conserved modules with a larger number of proteins in an order of magnitude less time. In conclusion, the protein sets found by our algorithm correspond to known conserved functional modules at comparable precision and recall rates as those produced by the MaWISh algorithm.

97 MATHEMATICS AND COMPUTING↗

On the data-driven inference of modulatory networks in climate science: An application to West African rainfall

Decades of hypothesis-driven and/or first-principles research have been applied towards the discovery and explanation of the mechanisms that drive climate phenomena, such as western African Sahel summer rainfall~variability. Although connections between various climate factors have been theorized, not all of the key relationships are fully understood. We propose a data-driven approach to identify candidate players in this climate system, which can help explain underlying mechanisms and/or even suggest new relationships, to facilitate building a more comprehensive and predictive model of the modulatory relationships influencing a climate phenomenon of interest. We applied coupled heterogeneous association rule mining (CHARM), Lasso multivariate regression, and dynamic Bayesian networks to find relationships within a complex system, and explored means with which to obtain a consensus result from the application of such varied methodologies. Using this fusion of approaches, we identified relationships among climate factors that modulate Sahel rainfall. As a result, these relationships fall into two categories: well-known associations from prior climate knowledge, such as the relationship with the El Niño–Southern Oscillation (ENSO) and putative links, such as North Atlantic Oscillation, that invite further research.

54 ENVIRONMENTAL SCIENCES↗

Transparent in Situ Data Transformations in ADIOS

Though an abundance of novel "data transformation" technologies have been developed (such as compression, level-of-detail, layout optimization, and indexing), there remains a notable gap in the adoption of such services by scientific applications. In response, we develop an in situ data transformation framework in the ADIOS I/O middleware with a "plug in" interface, thus greatly simplifying both the deployment and use of data transform services in scientific applications. Our approach ensures user-transparency, runtime-configurability, compatibility with existing I/O optimizations, and the potential for exploiting read-optimizing transforms (such as level-of-detail) to achieve I/O reduction. We demonstrate use of our framework with the QLG simulation at up to 8,192 cores on the leadership-class Titan supercomputer, showing negligible overhead. We also explore the read performance implications of data transforms with respect to parameters such as chunk size, access pattern, and the "opacity" of different transform methods including compression and level-of-detail.

Computer Science↗

DIRAQ: scalable in situ data- and resource-aware indexing for optimized query performance

Scientific data analytics in high-performance computing environments has been evolving along with the advancement of computing capabilities. With the onset of exascale computing, the increasing gap between compute performance and I/O bandwidth has rendered the traditional post-simulation processing a tedious process. Despite the challenges due to increased data production, there exists an opportunity to benefit from "cheap" computing power to perform query-driven exploration and visualization during simulation time. To accelerate such analyses, applications traditionally augment, post-simulation, raw data with large indexes, which are then repeatedly utilized for data exploration. However, the generation of current state-of-the-art indexes involves a compute- and memory-intensive processing, thus rendering them inapplicable in an in situ context. In this paper we propose DIRAQ, a parallel in situ, in network data encoding and reorganization technique that enables the transformation of simulation output into a query-efficient form, with negligible runtime overhead to the simulation run. DIRAQ's effective core-local, precision-based encoding approach incorporates an embedded compressed index that is 3---6 $$\times $$ ? smaller than current state-of-the-art indexing schemes. Its data-aware index adjustmentation improves performance of group-level index layout creation by up to 35 % and reduces the size of the generated index by up to 27 %. Moreover, DIRAQ's in network index merging strategy enables the creation of aggregated indexes that speed up spatial-context query responses by up to $$10\times $$ 10 ? versus alternative techniques. DIRAQ's topology-, data-, and memory-aware aggregation strategy results in efficient I/O and yields overall end-to-end encoding and I/O time that is less than that required to write the raw data with MPI collective I/O.

Computer Science↗

RADAR: Runtime Asymmetric Data-access Driven Scientific Data Replication

Efficient I/O on large-scale spatiotemporal scientific data requires scrutiny of both the logical layout of the data (e.g., row-major vs. column-major) and the physical layout (e.g., distribution on parallel filesystems). For increasingly complex datasets, hand optimization is a difficult matter prone to error and not scalable to the increasing heterogeneity of analysis workloads. Given these factors, we present a partial data replication system called RADAR. We capture datatype- and collective-aware I/O access patterns (indicating logical access) via MPI-IO tracing and use a combination of coarse-grained and fine-grained performance modeling to evaluate and select optimized physical data distributions for the task at hand. Unlike conventional methods, we store all replica data and metadata, along with the original untouched data, under a single file container using the object abstraction in parallel filesystems. Our system results in manyfold improvements in some commonly used subvolume decomposition access patterns.Moreover, the modeling approach can determine whether such optimizations should be undertaken in the first place.

access pattern↗