9,905 research outputs found

    Graduate Catalog of Studies, 2023-2024

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    Graduate Catalog of Studies, 2023-2024

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    GPU-optimized approaches to molecular docking-based virtual screening in drug discovery: A comparative analysis

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    Finding a novel drug is a very long and complex procedure. Using computer simulations, it is possible to accelerate the preliminary phases by performing a virtual screening that filters a large set of drug candidates to a manageable number. This paper presents the implementations and comparative analysis of two GPU-optimized implementations of a virtual screening algorithm targeting novel GPU architectures. This work focuses on the analysis of parallel computation patterns and their mapping onto the target architecture. The first method adopts a traditional approach that spreads the computation for a single molecule across the entire GPU. The second uses a novel batched approach that exploits the parallel architecture of the GPU to evaluate more molecules in parallel. Experimental results showed a different behavior depending on the size of the database to be screened, either reaching a performance plateau sooner or having a more extended initial transient period to achieve a higher throughput (up to 5x), which is more suitable for extreme-scale virtual screening campaigns

    AI Lifecycle Zero-Touch Orchestration within the Edge-to-Cloud Continuum for Industry 5.0

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    The advancements in human-centered artificial intelligence (HCAI) systems for Industry 5.0 is a new phase of industrialization that places the worker at the center of the production process and uses new technologies to increase prosperity beyond jobs and growth. HCAI presents new objectives that were unreachable by either humans or machines alone, but this also comes with a new set of challenges. Our proposed method accomplishes this through the knowlEdge architecture, which enables human operators to implement AI solutions using a zero-touch framework. It relies on containerized AI model training and execution, supported by a robust data pipeline and rounded off with human feedback and evaluation interfaces. The result is a platform built from a number of components, spanning all major areas of the AI lifecycle. We outline both the architectural concepts and implementation guidelines and explain how they advance HCAI systems and Industry 5.0. In this article, we address the problems we encountered while implementing the ideas within the edge-to-cloud continuum. Further improvements to our approach may enhance the use of AI in Industry 5.0 and strengthen trust in AI systems

    Resource-aware scheduling for 2D/3D multi-/many-core processor-memory systems

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    This dissertation addresses the complexities of 2D/3D multi-/many-core processor-memory systems, focusing on two key areas: enhancing timing predictability in real-time multi-core processors and optimizing performance within thermal constraints. The integration of an increasing number of transistors into compact chip designs, while boosting computational capacity, presents challenges in resource contention and thermal management. The first part of the thesis improves timing predictability. We enhance shared cache interference analysis for set-associative caches, advancing the calculation of Worst-Case Execution Time (WCET). This development enables accurate assessment of cache interference and the effectiveness of partitioned schedulers in real-world scenarios. We introduce TCPS, a novel task and cache-aware partitioned scheduler that optimizes cache partitioning based on task-specific WCET sensitivity, leading to improved schedulability and predictability. Our research explores various cache and scheduling configurations, providing insights into their performance trade-offs. The second part focuses on thermal management in 2D/3D many-core systems. Recognizing the limitations of Dynamic Voltage and Frequency Scaling (DVFS) in S-NUCA many-core processors, we propose synchronous thread migrations as a thermal management strategy. This approach culminates in the HotPotato scheduler, which balances performance and thermal safety. We also introduce 3D-TTP, a transient temperature-aware power budgeting strategy for 3D-stacked systems, reducing the need for Dynamic Thermal Management (DTM) activation. Finally, we present 3QUTM, a novel method for 3D-stacked systems that combines core DVFS and memory bank Low Power Modes with a learning algorithm, optimizing response times within thermal limits. This research contributes significantly to enhancing performance and thermal management in advanced processor-memory systems

    Mitigating the Event and Effect of Energy Holes in Multi-hop Wireless Sensor Networks Using an Ultra-Low Power Wake-up Receiver and an Energy Scheduling Technique

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    This research work presents an algorithm for extending network lifetime in multi-hop wireless sensor networks (WSN). WSNs face energy gap issues around sink nodes due to the transmission of large amounts of data through nearby sensor nodes. The limited power supply to the nodes limits the lifetime of the network, which makes energy efficiency crucial. Multi-hop communication has been proposed as an efficient strategy, but its power consumption remains a research challenge. In this study, an algorithm is developed to mitigate energy holes around the sink nodes by using a modified ultra-low-power wake-up receiver and an energy scheduling technique. Efficient power scheduling reduces the power consumption of the relay node, and when the residual power of the sensor node falls below a defined threshold, the power emitters charge the nodes to eliminate energy-hole problems. The modified wake-up receiver improves sensor sensitivity while staying within the micro-power budget. This study's simulations showed that the developed RF energy harvesting algorithm outperformed previous work, achieving a 30% improvement in average charged energy (AEC), a 0.41% improvement in average energy (AEH), an 8.39% improvement in the number of energy transmitters, an 8.59% improvement in throughput, and a 0.19 decrease in outage probability compared to the existing network lifetime enhancement of multi-hop wireless sensor networks by RF Energy Harvesting algorithm. Overall, the enhanced power efficiency technique significantly improves the performance of WSNs

    Modern computing: Vision and challenges

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    Over the past six decades, the computing systems field has experienced significant transformations, profoundly impacting society with transformational developments, such as the Internet and the commodification of computing. Underpinned by technological advancements, computer systems, far from being static, have been continuously evolving and adapting to cover multifaceted societal niches. This has led to new paradigms such as cloud, fog, edge computing, and the Internet of Things (IoT), which offer fresh economic and creative opportunities. Nevertheless, this rapid change poses complex research challenges, especially in maximizing potential and enhancing functionality. As such, to maintain an economical level of performance that meets ever-tighter requirements, one must understand the drivers of new model emergence and expansion, and how contemporary challenges differ from past ones. To that end, this article investigates and assesses the factors influencing the evolution of computing systems, covering established systems and architectures as well as newer developments, such as serverless computing, quantum computing, and on-device AI on edge devices. Trends emerge when one traces technological trajectory, which includes the rapid obsolescence of frameworks due to business and technical constraints, a move towards specialized systems and models, and varying approaches to centralized and decentralized control. This comprehensive review of modern computing systems looks ahead to the future of research in the field, highlighting key challenges and emerging trends, and underscoring their importance in cost-effectively driving technological progress

    Natural and Technological Hazards in Urban Areas

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    Natural hazard events and technological accidents are separate causes of environmental impacts. Natural hazards are physical phenomena active in geological times, whereas technological hazards result from actions or facilities created by humans. In our time, combined natural and man-made hazards have been induced. Overpopulation and urban development in areas prone to natural hazards increase the impact of natural disasters worldwide. Additionally, urban areas are frequently characterized by intense industrial activity and rapid, poorly planned growth that threatens the environment and degrades the quality of life. Therefore, proper urban planning is crucial to minimize fatalities and reduce the environmental and economic impacts that accompany both natural and technological hazardous events

    EPSILOD: efficient parallel skeleton for generic iterative stencil computations in distributed GPUs

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    Producción CientíficaIterative stencil computations are widely used in numerical simulations. They present a high degree of parallelism, high locality and mostly-coalesced memory access patterns. Therefore, GPUs are good candidates to speed up their computa- tion. However, the development of stencil programs that can work with huge grids in distributed systems with multiple GPUs is not straightforward, since it requires solv- ing problems related to the partition of the grid across nodes and devices, and the synchronization and data movement across remote GPUs. In this work, we present EPSILOD, a high-productivity parallel programming skeleton for iterative stencil computations on distributed multi-GPUs, of the same or different vendors that sup- ports any type of n-dimensional geometric stencils of any order. It uses an abstract specification of the stencil pattern (neighbors and weights) to internally derive the data partition, synchronizations and communications. Computation is split to better overlap with communications. This paper describes the underlying architecture of EPSILOD, its main components, and presents an experimental evaluation to show the benefits of our approach, including a comparison with another state-of-the-art solution. The experimental results show that EPSILOD is faster and shows good strong and weak scalability for platforms with both homogeneous and heterogene- ous types of GPUJunta de Castilla y León, Ministerio de Economía, Industria y Competitividad, y Fondo Europeo de Desarrollo Regional (FEDER): Proyecto PCAS (TIN2017-88614-R) y Proyecto PROPHET-2 (VA226P20).Ministerio de Ciencia e Innovación, Agencia Estatal de Investigación y “European Union NextGenerationEU/PRTR” : (MCIN/ AEI/10.13039/501100011033) - grant TED2021-130367B-I00CTE-POWER and Minotauro and the technical support provided by Barcelona Supercomputing Center (RES-IM-2021-2-0005, RES-IM-2021-3-0024, RES- IM-2022-1-0014).Publicación en abierto financiada por el Consorcio de Bibliotecas Universitarias de Castilla y León (BUCLE), con cargo al Programa Operativo 2014ES16RFOP009 FEDER 2014-2020 DE CASTILLA Y LEÓN, Actuación:20007-CL - Apoyo Consorcio BUCL
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