Preparing sparse solvers for exascale computing.

Sparse solvers provide essential functionality for a wide variety of scientific applications. Highly parallel sparse solvers are essential for continuing advances in high-fidelity, multi-physics and multi-scale simulations, especially as we target exascale platforms. This paper describes the challenges, strategies and progress of the US Department of Energy Exascale Computing project towards providing sparse solvers for exascale computing platforms. We address the demands of systems with thousands of high-performance node devices where exposing concurrency, hiding latency and creating alternative algorithms become essential. The efforts described here are works in progress, highlighting current success and upcoming challenges. This article is part of a discussion meeting issue 'Numerical algorithms for high-performance computational science'

Gunrock: A High-Performance Graph Processing Library on the GPU

For large-scale graph analytics on the GPU, the irregularity of data access and control flow, and the complexity of programming GPUs have been two significant challenges for developing a programmable high-performance graph library. "Gunrock", our graph-processing system designed specifically for the GPU, uses a high-level, bulk-synchronous, data-centric abstraction focused on operations on a vertex or edge frontier. Gunrock achieves a balance between performance and expressiveness by coupling high performance GPU computing primitives and optimization strategies with a high-level programming model that allows programmers to quickly develop new graph primitives with small code size and minimal GPU programming knowledge. We evaluate Gunrock on five key graph primitives and show that Gunrock has on average at least an order of magnitude speedup over Boost and PowerGraph, comparable performance to the fastest GPU hardwired primitives, and better performance than any other GPU high-level graph library.Comment: 14 pages, accepted by PPoPP'16 (removed the text repetition in the previous version v5

A survey of health care models that encompass multiple departments

In this survey we review quantitative health care models to illustrate the extent to which they encompass multiple hospital departments. The paper provides general overviews of the relationships that exists between major hospital departments and describes how these relationships are accounted for by researchers. We find the atomistic view of hospitals often taken by researchers is partially due to the ambiguity of patient care trajectories. To this end clinical pathways literature is reviewed to illustrate its potential for clarifying patient flows and for providing a holistic hospital perspective

Design a novel methodology for the goal-directed control of epitaxial graphene fabrication

This thesis was submitted for the degree of Doctor of Philosophy and awarded by Brunel University.The elusive 2D carbon poly-type was argued more than 70 years ago. Meanwhile, the recent discovery of graphene has proved that such materials can indeed be obtained and are thermodynamically stable. Graphene has demonstrated the unique properties that lead to many innovations in laboratory conditions. However, the current approaches available for the industrial fabrication yield the low graphene quality against the theoretical predictions. Furthermore, any graphene combination with the supporting units causes a newly-induced quality for adaptation to the other condensed matters. Therefore, the unusual ability for sensitive alteration in the external world has turned into a regulation for intended graphene engineering. The submitted investigation has been undertaken to elaborate a novel methodology for the goal-directed control of epitaxial graphene fabrication by using interaction design. This is the most perspective pathway to scale-up production of intended quality subjected to the manufacturing of novel carbide derived carbon (CDC) patterns via interaction with specific substrates under hydrogen halides impact. The graphene layers and structural arrangement of the composite systems, as well as their electronic properties depend on the particular substrate, coherent commensuration of the adjacent units, interaction between them and the physical environment of fabrication. It is crucial to understand the interaction processes leading to stable construction. Density Functional Theory (DFT) implemented in the CASTEP system has been employed in this research in order to develop this knowledge and also to determine how to tune and engineer the band gaps of such composite assemblies. The substrate alternating reconstructions, polarity of surface terminations, commensuration and number of layers, their stacking order and distances between constituting units are taken into consideration for intended simulation. The (3x3) and (√3x√3) reconstructions of 4H-SiC poly-type are the starting points for epitaxial growth (EG) on the Si-face and C-face unit cells. The results of the substrate induced interaction are interpreted via the versatility of band states gradually traced from the dehydrogenated SiC framework to CDC bi-layer. The distinctive feature resulted from the substrate influence is kept as the transitional band for different arrangements and locations in vicinity of the Fermi level. The first buffering C-plane reinforces substrate distinctions between the initial configurations and polarities. The n-type of gap state is the characteristic of the Si-face termination, whereas, the p-type is found for the C-face case. Both structures are devoid of the freestanding graphene signs. The appropriate indications of dominant graphene identity are found for the (0001) - (√3x√3) substrate only, at a close distance between two upper C-planes acceptable for covalent bonds. As for graphene EG the chemical conversion by using fluorination is employed to avoid the possible damage inspired by initial substrate roughness. The few layered CDC assemblage on the (0001) - (√3x√3) support is trailed via gradual Si – F interaction and SiFx groups penetrating through the bulk. Regular control over potential energy surfaces, minimal energy pathways, transition states and activation barriers enable the indicative indexes for reaction credibility and progress. By means of the Arrhenius equation using the activation energy values the average temperature of 1500 - 2000 C are predicted for the real conversion events. Under these conditions the wet surface etching for the topmost Si-atoms and release of oxidised CDC are accompanied with a complementary promotion mechanism which resulted in a highly ordered graphene structure.Brunel University’s EPSRC Doctoral Training Account and UK Engineering and Physical Sciences Research Council (EPSRC

Cross-Layer Rapid Prototyping and Synthesis of Application-Specific and Reconfigurable Many-accelerator Platforms

Technological advances of recent years laid the foundation consolidation of informatisationof society, impacting on economic, political, cultural and socialdimensions. At the peak of this realization, today, more and more everydaydevices are connected to the web, giving the term ”Internet of Things”. The futureholds the full connection and interaction of IT and communications systemsto the natural world, delimiting the transition to natural cyber systems and offeringmeta-services in the physical world, such as personalized medical care, autonomoustransportation, smart energy cities etc. . Outlining the necessities of this dynamicallyevolving market, computer engineers are required to implement computingplatforms that incorporate both increased systemic complexity and also cover awide range of meta-characteristics, such as the cost and design time, reliabilityand reuse, which are prescribed by a conflicting set of functional, technical andconstruction constraints. This thesis aims to address these design challenges bydeveloping methodologies and hardware/software co-design tools that enable therapid implementation and efficient synthesis of architectural solutions, which specifyoperating meta-features required by the modern market. Specifically, this thesispresents a) methodologies to accelerate the design flow for both reconfigurableand application-specific architectures, b) coarse-grain heterogeneous architecturaltemplates for processing and communication acceleration and c) efficient multiobjectivesynthesis techniques both at high abstraction level of programming andphysical silicon level.Regarding to the acceleration of the design flow, the proposed methodologyemploys virtual platforms in order to hide architectural details and drastically reducesimulation time. An extension of this framework introduces the systemicco-simulation using reconfigurable acceleration platforms as co-emulation intermediateplatforms. Thus, the development cycle of a hardware/software productis accelerated by moving from a vertical serial flow to a circular interactive loop.Moreover the simulation capabilities are enriched with efficient detection and correctiontechniques of design errors, as well as control methods of performancemetrics of the system according to the desired specifications, during all phasesof the system development. In orthogonal correlation with the aforementionedmethodological framework, a new architectural template is proposed, aiming atbridging the gap between design complexity and technological productivity usingspecialized hardware accelerators in heterogeneous systems-on-chip and networkon-chip platforms. It is presented a novel co-design methodology for the hardwareaccelerators and their respective programming software, including the tasks allocationto the available resources of the system/network. The introduced frameworkprovides implementation techniques for the accelerators, using either conventionalprogramming flows with hardware description language or abstract programmingmodel flows, using techniques from high-level synthesis. In any case, it is providedthe option of systemic measures optimization, such as the processing speed,the throughput, the reliability, the power consumption and the design silicon area.Finally, on addressing the increased complexity in design tools of reconfigurablesystems, there are proposed novel multi-objective optimization evolutionary algo-rithms which exploit the modern multicore processors and the coarse-grain natureof multithreaded programming environments (e.g. OpenMP) in order to reduce theplacement time, while by simultaneously grouping the applications based on theirintrinsic characteristics, the effectively explore the design space effectively.The efficiency of the proposed architectural templates, design tools and methodologyflows is evaluated in relation to the existing edge solutions with applicationsfrom typical computing domains, such as digital signal processing, multimedia andarithmetic complexity, as well as from systemic heterogeneous environments, suchas a computer vision system for autonomous robotic space navigation and manyacceleratorsystems for HPC and workstations/datacenters. The results strengthenthe belief of the author, that this thesis provides competitive expertise to addresscomplex modern - and projected future - design challenges.Οι τεχνολογικές εξελίξεις των τελευταίων ετών έθεσαν τα θεμέλια εδραίωσης της πληροφοριοποίησης της κοινωνίας, επιδρώντας σε οικονομικές,πολιτικές, πολιτιστικές και κοινωνικές διαστάσεις. Στο απόγειο αυτής τη ςπραγμάτωσης, σήμερα, ολοένα και περισσότερες καθημερινές συσκευές συνδέονται στο παγκόσμιο ιστό, αποδίδοντας τον όρο «Ίντερνετ των πραγμάτων».Το μέλλον επιφυλάσσει την πλήρη σύνδεση και αλληλεπίδραση των συστημάτων πληροφορικής και επικοινωνιών με τον φυσικό κόσμο, οριοθετώντας τη μετάβαση στα συστήματα φυσικού κυβερνοχώρου και προσφέροντας μεταυπηρεσίες στον φυσικό κόσμο όπως προσωποποιημένη ιατρική περίθαλψη, αυτόνομες μετακινήσεις, έξυπνες ενεργειακά πόλεις κ.α. . Σκιαγραφώντας τις ανάγκες αυτής της δυναμικά εξελισσόμενης αγοράς, οι μηχανικοί υπολογιστών καλούνται να υλοποιήσουν υπολογιστικές πλατφόρμες που αφενός ενσωματώνουν αυξημένη συστημική πολυπλοκότητα και αφετέρου καλύπτουν ένα ευρύ φάσμα μεταχαρακτηριστικών, όπως λ.χ. το κόστος σχεδιασμού, ο χρόνος σχεδιασμού, η αξιοπιστία και η επαναχρησιμοποίηση, τα οποία προδιαγράφονται από ένα αντικρουόμενο σύνολο λειτουργικών, τεχνολογικών και κατασκευαστικών περιορισμών. Η παρούσα διατριβή στοχεύει στην αντιμετώπιση των παραπάνω σχεδιαστικών προκλήσεων, μέσω της ανάπτυξης μεθοδολογιών και εργαλείων συνσχεδίασης υλικού/λογισμικού που επιτρέπουν την ταχεία υλοποίηση καθώς και την αποδοτική σύνθεση αρχιτεκτονικών λύσεων, οι οποίες προδιαγράφουν τα μετα-χαρακτηριστικά λειτουργίας που απαιτεί η σύγχρονη αγορά. Συγκεκριμένα, στα πλαίσια αυτής της διατριβής, παρουσιάζονται α) μεθοδολογίες επιτάχυνσης της ροής σχεδιασμού τόσο για επαναδιαμορφούμενες όσο και για εξειδικευμένες αρχιτεκτονικές, β) ετερογενή αδρομερή αρχιτεκτονικά πρότυπα επιτάχυνσης επεξεργασίας και επικοινωνίας και γ) αποδοτικές τεχνικές πολυκριτηριακής σύνθεσης τόσο σε υψηλό αφαιρετικό επίπεδο προγραμματισμού,όσο και σε φυσικό επίπεδο πυριτίου.Αναφορικά προς την επιτάχυνση της ροής σχεδιασμού, προτείνεται μια μεθοδολογία που χρησιμοποιεί εικονικές πλατφόρμες, οι οποίες αφαιρώντας τις αρχιτεκτονικές λεπτομέρειες καταφέρνουν να μειώσουν σημαντικά το χρόνο εξομοίωσης. Παράλληλα, εισηγείται η συστημική συν-εξομοίωση με τη χρήση επαναδιαμορφούμενων πλατφορμών, ως μέσων επιτάχυνσης. Με αυτόν τον τρόπο, ο κύκλος ανάπτυξης ενός προϊόντος υλικού, μετατεθειμένος από την κάθετη σειριακή ροή σε έναν κυκλικό αλληλεπιδραστικό βρόγχο, καθίσταται ταχύτερος, ενώ οι δυνατότητες προσομοίωσης εμπλουτίζονται με αποδοτικότερες μεθόδους εντοπισμού και διόρθωσης σχεδιαστικών σφαλμάτων, καθώς και μεθόδους ελέγχου των μετρικών απόδοσης του συστήματος σε σχέση με τις επιθυμητές προδιαγραφές, σε όλες τις φάσεις ανάπτυξης του συστήματος. Σε ορθογώνια συνάφεια με το προαναφερθέν μεθοδολογικό πλαίσιο, προτείνονται νέα αρχιτεκτονικά πρότυπα που στοχεύουν στη γεφύρωση του χάσματος μεταξύ της σχεδιαστικής πολυπλοκότητας και της τεχνολογικής παραγωγικότητας, με τη χρήση συστημάτων εξειδικευμένων επιταχυντών υλικού σε ετερογενή συστήματα-σε-ψηφίδα καθώς και δίκτυα-σε-ψηφίδα. Παρουσιάζεται κατάλληλη μεθοδολογία συν-σχεδίασης των επιταχυντών υλικού και του λογισμικού προκειμένου να αποφασισθεί η κατανομή των εργασιών στους διαθέσιμους πόρους του συστήματος/δικτύου. Το μεθοδολογικό πλαίσιο προβλέπει την υλοποίηση των επιταχυντών είτε με συμβατικές μεθόδους προγραμματισμού σε γλώσσα περιγραφής υλικού είτε με αφαιρετικό προγραμματιστικό μοντέλο με τη χρήση τεχνικών υψηλού επιπέδου σύνθεσης. Σε κάθε περίπτωση, δίδεται η δυνατότητα στο σχεδιαστή για βελτιστοποίηση συστημικών μετρικών, όπως η ταχύτητα επεξεργασίας, η ρυθμαπόδοση, η αξιοπιστία, η κατανάλωση ενέργειας και η επιφάνεια πυριτίου του σχεδιασμού. Τέλος, προκειμένου να αντιμετωπισθεί η αυξημένη πολυπλοκότητα στα σχεδιαστικά εργαλεία επαναδιαμορφούμενων συστημάτων, προτείνονται νέοι εξελικτικοί αλγόριθμοι πολυκριτηριακής βελτιστοποίησης, οι οποίοι εκμεταλλευόμενοι τους σύγχρονους πολυπύρηνους επεξεργαστές και την αδρομερή φύση των πολυνηματικών περιβαλλόντων προγραμματισμού (π.χ. OpenMP), μειώνουν το χρόνο επίλυσης του προβλήματος της τοποθέτησης των λογικών πόρων σε φυσικούς,ενώ ταυτόχρονα, ομαδοποιώντας τις εφαρμογές βάση των εγγενών χαρακτηριστικών τους, διερευνούν αποτελεσματικότερα το χώρο σχεδίασης.Η αποδοτικότητά των προτεινόμενων αρχιτεκτονικών προτύπων και μεθοδολογιών επαληθεύτηκε σε σχέση με τις υφιστάμενες λύσεις αιχμής τόσο σε αυτοτελής εφαρμογές, όπως η ψηφιακή επεξεργασία σήματος, τα πολυμέσα και τα προβλήματα αριθμητικής πολυπλοκότητας, καθώς και σε συστημικά ετερογενή περιβάλλοντα, όπως ένα σύστημα όρασης υπολογιστών για αυτόνομα διαστημικά ρομποτικά οχήματα και ένα σύστημα πολλαπλών επιταχυντών υλικού για σταθμούς εργασίας και κέντρα δεδομένων, στοχεύοντας εφαρμογές υψηλής υπολογιστικής απόδοσης (HPC). Τα αποτελέσματα ενισχύουν την πεποίθηση του γράφοντα, ότι η παρούσα διατριβή παρέχει ανταγωνιστική τεχνογνωσία για την αντιμετώπιση των πολύπλοκων σύγχρονων και προβλεπόμενα μελλοντικών σχεδιαστικών προκλήσεων

Fast and Accurate Error Simulation for CNNs Against Soft Errors

The great quest for adopting AI-based computation for safety-/mission-critical applications motivates the interest towards methods for assessing the robustness of the application w.r.t. not only its training/tuning but also errors due to faults, in particular soft errors, affecting the underlying hardware. Two strategies exist: architecture-level fault injection and application-level functional error simulation. We present a framework for the reliability analysis of Convolutional Neural Networks (CNNs) via an error simulation engine that exploits a set of validated error models extracted from a detailed fault injection campaign. These error models are defined based on the corruption patterns of the output of the CNN operators induced by faults and bridge the gap between fault injection and error simulation, exploiting the advantages of both approaches. We compared our methodology against SASSIFI for the accuracy of functional error simulation w.r.t. fault injection, and against TensorFI in terms of speedup for the error simulation strategy. Experimental results show that our methodology achieves about 99% accuracy of the fault effects w.r.t. SASSIFI, and a speedup ranging from 44x up to 63x w.r.t. TensorFI, that only implements a limited set of error models

Simulation Intelligence: Towards a New Generation of Scientific Methods

The original "Seven Motifs" set forth a roadmap of essential methods for the field of scientific computing, where a motif is an algorithmic method that captures a pattern of computation and data movement. We present the "Nine Motifs of Simulation Intelligence", a roadmap for the development and integration of the essential algorithms necessary for a merger of scientific computing, scientific simulation, and artificial intelligence. We call this merger simulation intelligence (SI), for short. We argue the motifs of simulation intelligence are interconnected and interdependent, much like the components within the layers of an operating system. Using this metaphor, we explore the nature of each layer of the simulation intelligence operating system stack (SI-stack) and the motifs therein: (1) Multi-physics and multi-scale modeling; (2) Surrogate modeling and emulation; (3) Simulation-based inference; (4) Causal modeling and inference; (5) Agent-based modeling; (6) Probabilistic programming; (7) Differentiable programming; (8) Open-ended optimization; (9) Machine programming. We believe coordinated efforts between motifs offers immense opportunity to accelerate scientific discovery, from solving inverse problems in synthetic biology and climate science, to directing nuclear energy experiments and predicting emergent behavior in socioeconomic settings. We elaborate on each layer of the SI-stack, detailing the state-of-art methods, presenting examples to highlight challenges and opportunities, and advocating for specific ways to advance the motifs and the synergies from their combinations. Advancing and integrating these technologies can enable a robust and efficient hypothesis-simulation-analysis type of scientific method, which we introduce with several use-cases for human-machine teaming and automated science