Instruction Set Architectures for Quantum Processing Units

Progress in quantum computing hardware raises questions about how these devices can be controlled, programmed, and integrated with existing computational workflows. We briefly describe several prominent quantum computational models, their associated quantum processing units (QPUs), and the adoption of these devices as accelerators within high-performance computing systems. Emphasizing the interface to the QPU, we analyze instruction set architectures based on reduced and complex instruction sets, i.e., RISC and CISC architectures. We clarify the role of conventional constraints on memory addressing and instruction widths within the quantum computing context. Finally, we examine existing quantum computing platforms, including the D-Wave 2000Q and IBM Quantum Experience, within the context of future ISA development and HPC needs.Comment: To be published in the proceedings in the International Super Computing Conference 2017 publicatio

Massively Parallel Computing at the Large Hadron Collider up to the HL-LHC

As the Large Hadron Collider (LHC) continues its upward progression in energy and luminosity towards the planned High-Luminosity LHC (HL-LHC) in 2025, the challenges of the experiments in processing increasingly complex events will also continue to increase. Improvements in computing technologies and algorithms will be a key part of the advances necessary to meet this challenge. Parallel computing techniques, especially those using massively parallel computing (MPC), promise to be a significant part of this effort. In these proceedings, we discuss these algorithms in the specific context of a particularly important problem: the reconstruction of charged particle tracks in the trigger algorithms in an experiment, in which high computing performance is critical for executing the track reconstruction in the available time. We discuss some areas where parallel computing has already shown benefits to the LHC experiments, and also demonstrate how a MPC-based trigger at the CMS experiment could not only improve performance, but also extend the reach of the CMS trigger system to capture events which are currently not practical to reconstruct at the trigger level.Comment: 14 pages, 6 figures. Proceedings of 2nd International Summer School on Intelligent Signal Processing for Frontier Research and Industry (INFIERI2014), to appear in JINST. Revised version in response to referee comment

Distributed mining of molecular fragments

In real world applications sequential algorithms of data mining and data exploration are often unsuitable for datasets with enormous size, high-dimensionality and complex data structure. Grid computing promises unprecedented opportunities for unlimited computing and storage resources. In this context there is the necessity to develop high performance distributed data mining algorithms. However, the computational complexity of the problem and the large amount of data to be explored often make the design of large scale applications particularly challenging. In this paper we present the first distributed formulation of a frequent subgraph mining algorithm for discriminative fragments of molecular compounds. Two distributed approaches have been developed and compared on the well known National Cancer Institute’s HIV-screening dataset. We present experimental results on a small-scale computing environment

Automating Fault Tolerance in High-Performance Computational Biological Jobs Using Multi-Agent Approaches

Background: Large-scale biological jobs on high-performance computing systems require manual intervention if one or more computing cores on which they execute fail. This places not only a cost on the maintenance of the job, but also a cost on the time taken for reinstating the job and the risk of losing data and execution accomplished by the job before it failed. Approaches which can proactively detect computing core failures and take action to relocate the computing core's job onto reliable cores can make a significant step towards automating fault tolerance. Method: This paper describes an experimental investigation into the use of multi-agent approaches for fault tolerance. Two approaches are studied, the first at the job level and the second at the core level. The approaches are investigated for single core failure scenarios that can occur in the execution of parallel reduction algorithms on computer clusters. A third approach is proposed that incorporates multi-agent technology both at the job and core level. Experiments are pursued in the context of genome searching, a popular computational biology application. Result: The key conclusion is that the approaches proposed are feasible for automating fault tolerance in high-performance computing systems with minimal human intervention. In a typical experiment in which the fault tolerance is studied, centralised and decentralised checkpointing approaches on an average add 90% to the actual time for executing the job. On the other hand, in the same experiment the multi-agent approaches add only 10% to the overall execution time.Comment: Computers in Biology and Medicin