As the coordinator of the High Performance Computing Center (Nacad) at COPPE/UFRJ, Alvaro Coutinho, presented advances in AI in Engineering and the importance of multidisciplinary research networks to address current issues in Scientific Machine Learning. Alvaro took the opportunity to highlight the need for Brazil to invest in high performance computing capacity.

The country’s sovereignty needs autonomy in producing ML advances, which depends on HPC support at the Universities and Research Centers. Brazil has nine machines in the Top 500 list of the most powerful computer systems in the world, but almost all at Petrobras company, and Universities need much more. ML is well-known to require HPC, when combined to scientific computer simulations it becomes essential.

The conventional notion of ML involves training an algorithm to automatically discover patterns, signals, or structures that may be hidden in huge databases and whose exact nature is unknown and therefore cannot be explicitly programmed. This field may face two major drawbacks: the need for a significant volume of (labelled) expensive to acquire data and limitations for extrapolating (making predictions beyond scenarios contained in the trained data difficult).

Considering that an algorithm’s predictive ability is a learning skill, current challenges must be addressed to improve the analytical and predictive capacity of Scientific ML algorithms, for example, to maximize its impact in applications of renewable energy. References [1-5] illustrate recent advances in Scientific Machine Learning in different areas of engineering and computer science.

References:

[*] https://www.coppe.ufrj.br/pt-br/planeta-coppe-noticias/noticias/coppe-e-sociedade-especialistas-debatem-os-reflexos-da-inteligencia

[1] Baker, Nathan, Steven L. Brunton, J. Nathan Kutz, Krithika Manohar, Aleksandr Y. Aravkin, Kristi Morgansen, Jennifer Klemisch, Nicholas Goebel, James Buttrick, Jeffrey Poskin, Agnes Blom-Schieber, Thomas Hogan, Darren McDonaldAlexander, Frank, Bremer, Timo, Hagberg, Aric, Kevrekidis, Yannis, Najm, Habib, Parashar, Manish, Patra, Abani, Sethian, James, Wild, Stefan, Willcox, Karen, and Lee, Steven. Workshop Report on Basic Research Needs for Scientific Machine Learning: Core Technologies for Artificial Intelligence. United States: N. p., 2019. Web. doi:10.2172/1478744.

[2] Brunton, Steven L., Bernd R. Noack, and Petros Koumoutsakos. “Machine learning for fluid mechanics.” Annual Review of Fluid Mechanics 52 (2020): 477-508.

The post Scientific Machine Learning and HPC first appeared on RISC2 Project.

The goal of the investigation is to provide users with simplified access to computing structures through scientific solutions that represent significant developments in their fields. In the case of this project, it is intended to develop intelligent green scientific solutions for BioinfoPortal (a multiuser Brazilian infrastructure)supported by High-Performance Computing environments.

Technologically, it includes areas such as scientific workflows, data mining, machine learning, and deep learning. The outlook, in case of success, is the analysis and interpretation of Big Data allowing new paths in molecular biology, genetics, biomedicine, and health— so it becomes necessary tools capable of digesting the amount of information, efficiently, which can come.

The team performed several large-scale bioinformatics experiments that are considered to be computationally intensive. Currently, artificial intelligence is being used to generate models to analyze computational and bioinformatics metadata to understand how automatic learning can predict computational resources efficiently. The workshop was held from April 10th to 11th, and took place in the University of Sao Paulo.

RISC2 Project, which aims to explore the HPC impact in the economies of Latin America and Europe, relies on the interaction between researchers and policymakers in both regions. It also includes 16 academic partners such as the University of Buenos Aires, National Laboratory for High Performance Computing of Chile, Julich Supercomputing Centre, Barcelona Supercomputing Center (the leader of the consortium), among others.

The post Latin American researchers present greener gateways for Big Data in INRIA Brazil Workshop first appeared on RISC2 Project.

By:

Carneiro, B. Fagundes, C. Osthoff, G. Freire, K. Ocaña, L. Cruz, L. Gadelha, M. Coelho, M. Galheigo, and R. Terra are with the National Laboratory of Scientific Computing, Rio de Janeiro, Brazil.

Carvalho is with the Federal Center for Technological Education Celso Suckow da Fonseca, Rio de Janeiro, Brazil.

Douglas Cardoso is with the Polytechnic Institute of Tomar, Portugal.

Boito and L, Teylo is with the University of Bordeaux, CNRS, Bordeaux INP, INRIA, LaBRI, Talence, France.

Navaux is with the Informatics Institute, the Federal University of Rio Grande do Sul, and Rio Grande do Sul, Brazil.

References:

Ocaña, K. A. C. S.; Galheigo, M.; Osthoff, C.; Gadelha, L. M. R.; Porto, F.; Gomes, A. T. A.; Oliveira, D.; Vasconcelos, A. T. BioinfoPortal: A scientific gateway for integrating bioinformatics applications on the Brazilian national high-performance computing network. Future Generation Computer Systems, v. 107, p. 192-214, 2020.

Mondelli, M. L.; Magalhães, T.; Loss, G.; Wilde, M.; Foster, I.; Mattoso, M. L. Q.; Katz, D. S.; Barbosa, H. J. C.; Vasconcelos, A. T. R.; Ocaña, K. A. C. S; Gadelha, L. BioWorkbench: A High-Performance Framework for Managing and Analyzing Bioinformatics Experiments. PeerJ, v. 1, p. 1, 2018.

Coelho, M.; Freire, G.; Ocaña, K.; Osthoff, C.; Galheigo, M.; Carneiro, A. R.; Boito, F.; Navaux, P.; Cardoso, D. O. Desenvolvimento de um Framework de Aprendizado de Máquina no Apoio a Gateways Científicos Verdes, Inteligentes e Eficientes: BioinfoPortal como Caso de Estudo Brasileiro In: XXIII Simpósio em Sistemas Computacionais de Alto Desempenho – WSCAD 2022 (https://wscad.ufsc.br/), 2022.

Terra, R.; Ocaña, K.; Osthoff, C.; Cruz, L.; Boito, F.; Navaux, P.; Carvalho, D. Framework para a Construção de Redes Filogenéticas em Ambiente de Computação de Alto Desempenho. In: XXIII Simpósio em Sistemas Computacionais de Alto Desempenho – WSCAD 2022 (https://wscad.ufsc.br/), 2022.

Ocaña, K.; Cruz, L.; Coelho, M.; Terra, R.; Galheigo, M.; Carneiro, A.; Carvalho, D.; Gadelha, L.; Boito, F.; Navaux, P.; Osthoff, C. ParslRNA-Seq: an efficient and scalable RNAseq analysis workflow for studies of differentiated gene expression. In: Latin America High-Performance Computing Conference (CARLA), 2022, Rio Grande do Sul, Brazil. Proceedings of the Latin American High-Performance Computing Conference – CARLA 2022 (http://www.carla22.org/), 2022.

^[1] https://bioinfo.lncc.br/

^[2] https://git.tecgraf.puc-rio.br/csbase-dev/csgrid/-/tree/CSGRID-2.3-LNCC

^[3] https://https://sdumont.lncc.br

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Humans are particularly efficient at recognising objects – think about what surrounds us: one recognises the object where one is reading the text from as a screen, the place where one sits as a chair, the utensil in which one drinks coffee as a cup, and one does all of this extremely quickly and virtually automatically. One is able to do all this despite the fact that 1) one holds large amounts of information about each object (if one is asked to write down everything you know about a pen, you would certainly have a lot to say); and that 2) there are several exemplars of each object type (a glass can be tall, made out of glass, metal, paper or plastic, it can be different colours, etc. – but despite that, any of them would still be a glass). How does one do this? How one is able to store and process so much information in the process of recognising a glass, and generalise all the different instances of a glass to get the concept “glass”? The goal of the ContentMAP is to understand the processes that lead to successful object recognition.

The answer to these question lies in better understanding of the organisational principles of information in the brain. It is, in fact, the efficient organisation of conceptual information and object representations in the brain that allows one to quickly and efficiently recognise the keyboard that is in front of each of us. To study the neuronal organisation of object knowledge, the project collects large sets of fMRI data from several participants, and then try to decode the organisational principles of information in the brain.

Given the amount of data and the computational requirements of this type of data at the level of pre-processing and post processing, the use of HPC is essential to enable these studies to be conducted in a timely manner. For example, at the post-processing level, the project uses whole brain Support Vector Machine classification algorithms (searchlight procedures) that require hundreds of thousands of classifiers to be trained. Moreover, for each of these classifiers one needs to compute a sample distribution of the average, as well as test the various classifications of interest, and this has to be done per participant.

Because of this, the use of HPC facilities of of the Advanced Computing Laboratory (LCA) at University of Coimbra is crucial. It allows us to actually perform these analyses in one to two weeks – something that on our 14-core computers would take a few months, which in pratice would mean, most probably, that the analysis would not be done. 

By Faculty of Psychology and Educational Sciences, University of Coimbra

Reference 

ProAction Lab http://proactionlab.fpce.uc.pt/ 

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Date: February 22, 2023 | 4 p.m. (UTC)

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The computer named JUPITER (short for “Joint Undertaking Pioneer for Innovative and Transformative Exascale Research”) will be installed 2023/2024 on the campus of Forschungszentrum Jülich. It is intended that the system will be operated by the Jülich Supercomputing Centre (JSC), whose supercomputers JUWELS and JURECA currently rank among the most powerful in the world. JSC has participated in the application procedure for a high-end supercomputer as a member of the Gauss Centre for Supercomputing (GCS), an association of the three German national supercomputing centres JSC in Jülich, High Performance Computing Stuttgart (HLRS), and Leibniz Computing Centre (LRZ) in Garching. The competition was organized by the European supercomputing initiative EuroHPC JU, which was formed by the European Union together with European countries and private companies. 

JUPITER is now set to become the first European supercomputer to make the leap into the exascale class. In terms of computing power, it will be more powerful that 5 million modern laptops of PCs. Just like Jülich’s current supercomputer JUWELS, JUPITER will be based on a dynamic, modular supercomputing architecture, which Forschungszentrum Jülich developed together with European and international partners in the EU’s DEEP research projects.

In a modular supercomputer, various computing modules are coupled together. This enables program parts of complex simulations to be distributed over several modules, ensuring that the various hardware properties can be optimally utilized in each case. Its modular construction also means that the system is well prepared for integrating future technologies such as quantum computing or neurotrophic modules, which emulate the neural structure of a biological brain.

Figure Modular Supercomputing Architecture: Computing and storage modules of the exascale computer in its basis configuration (blue) as well as optional modules (green) and modules for future technologies (purple) as possible extensions. 

In its basis configuration, JUPITER will have and enormously powerful booster module with highly efficient GPU-based computation accelerators. Massively parallel applications are accelerated by this booster in a similar way to a turbocharger, for example to calculate high-resolution climate models, develop new materials, simulate complex cell processes and energy systems, advanced basic research, or train next-generation, computationally intensive machine-learning algorithms.

One major challenge is the energy that is required for such large computing power. The average power is anticipated to be up to 15 megawatts. JUPITER has been designed as a “green” supercomputer and will be powered by green electricity. The envisaged warm water cooling system should help to ensure that JUPITER achieves the highest efficiency values. At the same time, the cooling technology opens up the possibility of intelligently using the waste heat  that is produced. For example, just like its predecessor system JUWELS, JUPITER will be connected to the new low-temperature network on the Forschungszentrum Jülich campus. Further potential applications for the waste heat from JUPITER are currently being investigated by Forschungszentrum Jülich.

By Jülich Supercomputing Centre (JSC)

The first image is JUWELS: Germany’s fastest supercomputer JUWELS at Forschungszentrum Jülich, which is funded in equal parts by the Federal Ministry of Education and Research (BMBF) and the Ministry of Culture and Science of the State of North Rhine-Westphalia (MKW NRW) via the Gauss Centre for Supercomputing (GCS). (Copyright: Forschungszentrum Jülich / Sascha Kreklau)

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However, to realize the full potential of this synergy, ML models (or models for short) must be built, combined and ensembled, which can be very complex as there can be many models to select from. Furthermore, they should be shared and reused, in particular, in different execution environments such as HPC or Spark clusters.

To address this problem, we proposed Gypscie [Porto 2022, Zorrilla 2022], a new framework that supports the entire ML lifecycle and enables model reuse and import from other frameworks. The approach behind Gypscie is to combine several rich capabilities for model and data management, and model execution, which are typically provided by different tools, in a unique framework. Overall, Gypscie provides: a platform for supporting the complete model life-cycle, from model building to deployment, monitoring and policies enforcement; an environment for casual users to find ready-to-use models that best fit a particular prediction problem, an environment to optimize ML task scheduling and execution; an easy way for developers to benchmark their models against other competitive models and improve them; a central point of access to assess models’ compliance to policies and ethics and obtain and curate observational and predictive data; provenance information and model explainability. Finally, Gypscie interfaces with multiple execution environments to run ML tasks, e.g., an HPC system such as the Santos Dumont supercomputer at LNCC or a Spark cluster. 

Gypscie comes with SAVIME [Silva 2020], a multidimensional array in-memory database system for importing, storing and querying model (tensor) data. The SAVIME open-source system has been developed to support analytical queries over scientific data. Its offers an extremely efficient ingestion procedure, which practically eliminates the waiting time to analyze incoming data. It also supports dense and sparse arrays and non-integer dimension indexing. It offers a functional query language processed by a query optimiser that generates efficient query execution plans.

References

[Porto 2022] Fabio Porto, Patrick Valduriez: Data and Machine Learning Model Management with Gypscie. CARLA 2022 – Workshop on HPC and Data Sciences meet Scientific Computing, SCALAC, Sep 2022, Porto Alegre, Brazil. pp.1-2. 

[Zorrilla 2022] Rocío Zorrilla, Eduardo Ogasawara, Patrick Valduriez, Fabio Porto: A Data-Driven Model Selection Approach to Spatio-Temporal Prediction. SBBD 2022 – Brazilian Symposium on Databases, SBBD, Sep 2022, Buzios, Brazil. pp.1-12. 

[Silva 2020] A.C. Silva, H. Lourenço, D. Ramos, F. Porto, P. Valduriez. Savime: An Array DBMS for Simulation Analysis and Prediction. Journal of Information Data Management 11(3), 2020. 

By LNCC and Inria 

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Fabrizio Gagliardi, director of the RISC2, says “I feel particularly honored by this recognition on behalf of all the project members who have worked so hard to achieve in such a short time, and with limited resources, a considerable impact in promoting HPC activities in Latin America in collaboration with Europe”.

Editors’ Choice: Best HPC Collaboration (Academia/Government/Industry)

The RISC2 project, following the RISC2 Project, aims to promote and improve the relationship between research and industrial communities, focusing on HPC application and infrastructure deployment, between Europe and Latin America. Led by the Barcelona Supercomputing Center (BSC), RISC2 brings together 16 partners from 12 different countries.

About the HPCwire Readers’ and Editors’ Choice Awards

The list of winners was revealed at the SC22 HPCwire booth and on the HPCwire website.

The coveted annual HPCwire Readers’ and Editors’ Choice Awards are determined through a nomination and voting process with the global HPCwire community, a well a selections from the HPCwire editors. The awards are an annual feature of the publication and constitute prestigious recognition from the HPC community . They are revealed each year too kick off the annual supercomputing conference, which showcases high performance computing, networking, storage, and data analysis.

“The 2022 Readers’ and Editors’ Choice Awards are exceptional, indeed. Solutions developed with HPC led the world out of the Pandemic, and we officially broke the Exascale threshold – HPC has now reached a billion, billion operations per second!” said Tom Tabor, CEO of Tabor Communications, publishers of HPCwire. “Between our worldwide readership of HPC experts and the most renowned panel of editors in the industry, the Readers’ and Editors’ Choice Awards represent resounding recognition of HPC accomplishments throughout the world. Our sincerest gratitude and hearty congratulations go out to all of the winners.”

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RISC2 are participating directly on:

ClusterUY Advanced Usage Tutorial

November 11, 2022

Santiago Iturriaga, UdelaR

Talk: Systems based on blockchain. Studying its behaviour as a distributed system: from emulation to simulation

December 8, 2022

Esteban Mocskos, CONICET

Message Passing Interface Tutorial

December 13, 2022

Sergio Nesmachnow, UdelaR

Course on “Fundamentals of urban informatics: data analysis and data processing”

December 12 – 16, 2022

Renzo Massobrio (Universidad de Cádiz),  Sergio Nesmachnow (UdelaR), and Sebastián Baña (New York University)

Know more.

Course on “Concepts and tools for solving multiobjective optimization problems”

December 12 – 20, 2022

Diego Rossit (Universidad Nacional del Sur), and Sergio Nesmachnow (UdelaR)

Know more.

The post Seminar on High-Performance Scientific Computing first appeared on RISC2 Project.

Several factors contributed to the catastrophic outcomes of the Black Death. The crises was boosted by the lack of two important components: knowledge and technology. There was no clue about the spread dynamics of the disease, and containment policies were desperately based on assumptions or beliefs. Some opted for self-isolation to get away from the “bad air” that was believed to be the cause of the illness [2]. Others thought the plague was a divine punishment and persecuted the heretics in order to “appease the heavens” [3]. Though the first of these two strategies was actually very effective, the second one only increased the tragedy of that scenario. 

The bubonic plague of the 14th century is a great example of how unfortunate ignorance can be in the context of epidemics. If the transmission mechanisms are not well-understood, we are not able to design productive measures against them. We may end up −such as our medieval predecessors− making things much more worse. Fortunately, the advances in science and technology have provided humanity with powerful tools to comprehend infectious diseases and rapidly develop response plans. In this particular matter, epidemic models and simulations have become crucial. 

In the recent COVID-19 events, many public health authorities relied on the outcomes of models, so as to determine the most probable paths of the epidemic and make informed decisions regarding sanitary measures [4]. Epidemic models have been around for a long time, and have become more and more sophisticated. One reason is the fact that they feed on data that has to be collected and processed, and which has increased in quantity and variety.  

Data contains interesting patterns that give hints about the influence of apparently non-epidemiological factors such as mobility and interaction type [5]. This is how, in the 19th century, John Snow managed to discover the cause of a cholera epidemic in Soho. He plotted the registered cholera cases in a map and saw they clustered around a water pump that he presumed was contaminated [6]. Thanks to Dr. Snow’s findings, water quality started to be considered as an important component of public health. 

As models grow in intricacy, the demand for more powerful computing systems also increases. In advanced approaches such as agent-based [7] and network (graph) models [8], every person is represented inside a complex framework in which the infection spreads according to specific rules. These rules could be related to the nature of the relations between individuals, their number of contacts, the places they visit, disease characteristics, and even stochastic influences. Frameworks are commonly composed of millions of individuals too, because we often want to analyze countrywide effects. 

In brief, to unravel epidemic dynamics we need to process and produce a lot of accurate information, and we need to do it fast. High-performance computing (HPC) systems provide high-spec hardware and support advanced techniques such as parallel computing, which accelerate calculation by using several resources at a time to perform one or different tasks concurrently. This is an advantage for stochastic epidemic models that require hundreds of independent executions to deliver reliable outputs. Frameworks with millions of nodes or agents need several GB of memory to be processed, which is a requirement that can be met only by HPC systems. 

Based on the work of Cruz et al. [9], we developed a model that represents the spread dynamics of COVID-19 in Costa Rica [10]. This model consists of a contact network of five million nodes, in which every Costa Rican citizen has a family, school, work, or random connection with their neighbors. These relations impact the probability of getting infected, as well as the “infection status” of the neighbors. The infection status varies with time, as people evolve from not having symptoms to have mild, severe, or critical conditions. People may be asymptomatic as well. The model also addresses variations in location, school and workplace sizes, age, mobility, and vaccination rates. In addition, some of these inputs are stochastic. 

Such model takes only a few hours to be simulated in an HPC cluster, when normal systems would require much more time. We managed to evaluate scenarios in which different sanitary measures were changed or eliminated. This analysis brought interesting results, such as that going to a meeting with our family or friends could be as harmful as attending a concert with dozens of strangers, in terms of the additional infections that these activities would generate. Such findings are valuable inputs for health authorities, because they demonstrate that preventing certain behaviors in the population can delay the peak of infections and give them more time to save lives. 

Even though HPC has been fundamental in computational epidemiology to give key insights into epidemic dynamics, we still have to leverage this technology in some contexts. For example, we must first strengthen health and information systems in developing countries to get the maximum advantage of HPC and epidemic models. The above can be achieved through inter–institutional and international collaboration, but also through national policies that support research and development. If we encourage the study of infectious diseases, we benefit from this knowledge in a way that we can approach other pandemics better in the future. 

References

[1] Encyclopedia Britannica. n.d. Crisis, recovery, and resilience: Did the Middle Ages end?. [online] Available at: <https://www.britannica.com/topic/history-of-Europe/Crisis-recovery-and-resilience-Did-the-Middle-Ages-end> [Accessed 13 September 2022]. 

[2] Mellinger, J., 2006. Fourteenth-Century England, Medical Ethics, and the Plague. AMA Journal of Ethics, 8(4), pp.256-260. 

[3] Carr, H., 2020. Black Death Quarantine: How Did We Try To Contain The Deadly Disease?. [online] Historyextra.com. Available at: <https://www.historyextra.com/period/medieval/plague-black-death-quarantine-history-how-stop-spread/> [Accessed 13 September 2022]. 

[4] McBryde, E., Meehan, M., Adegboye, O., Adekunle, A., Caldwell, J., Pak, A., Rojas, D., Williams, B. and Trauer, J., 2020. Role of modelling in COVID-19 policy development. Paediatric Respiratory Reviews, 35, pp.57-60. 

[5] Pasha, D., Lundeen, A., Yeasmin, D. and Pasha, M., 2021. An analysis to identify the important variables for the spread of COVID-19 using numerical techniques and data science. Case Studies in Chemical and Environmental Engineering, 3, p.100067. 

[6] Bbc.co.uk. 2014. Historic Figures: John Snow (1813 – 1858). [online] Available at: <https://www.bbc.co.uk/history/historic_figures/snow_john.shtml> [Accessed 13 September 2022]. 

[7] Publichealth.columbia.edu. 2022. Agent-Based Modeling. [online] Available at: <https://www.publichealth.columbia.edu/research/population-health-methods/agent-based-modeling> [Accessed 13 September 2022]. 

[8] Keeling, M. and Eames, K., 2005. Networks and epidemic models. Journal of The Royal Society Interface, 2(4), pp.295-307. 

[9] Cruz, E., Maciel, J., Clozato, C., Serpa, M., Navaux, P., Meneses, E., Abdalah, M. and Diener, M., 2021. Simulation-based evaluation of school reopening strategies during COVID-19: A case study of São Paulo, Brazil. Epidemiology and Infection, 149. 

[10] Abdalah, M., Soto, C., Arce, M., Cruz, E., Maciel, J., Clozato, C. and Meneses, E., 2022. Understanding COVID-19 Epidemic in Costa Rica Through Network-Based Modeling. Communications in Computer and Information Science, pp.61-75. 

By CeNAT

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