QuEST and High Performance Simulation of Quantum Computers

We introduce QuEST, the Quantum Exact Simulation Toolkit, and compare it to ProjectQ, qHipster and a recent distributed implementation of Quantum++. QuEST is the first open source, OpenMP and MPI hybridised, GPU accelerated simulator of universal quantum circuits. Embodied as a C library, it is designed so that a user's code can be deployed seamlessly to any platform from a laptop to a supercomputer. QuEST is capable of simulating generic quantum circuits of general single-qubit gates and multi-qubit controlled gates, on pure and mixed states, represented as state-vectors and density matrices, and under the presence of decoherence. Using the ARCUS Phase-B and ARCHER supercomputers, we benchmark QuEST's simulation of random circuits of up to 38 qubits, distributed over up to 2048 compute nodes, each with up to 24 cores. We directly compare QuEST's performance to ProjectQ's on single machines, and discuss the differences in distribution strategies of QuEST, qHipster and Quantum++. QuEST shows excellent scaling, both strong and weak, on multicore and distributed architectures.Comment: 8 pages, 8 figures; fixed typos; updated QuEST URL and fixed typo in Fig. 4 caption where ProjectQ and QuEST were swapped in speedup subplot explanation; added explanation of simulation algorithm, updated bibliography; stressed technical novelty of QuEST; mentioned new density matrix suppor

Air pollution modelling using a graphics processing unit with CUDA

The Graphics Processing Unit (GPU) is a powerful tool for parallel computing. In the past years the performance and capabilities of GPUs have increased, and the Compute Unified Device Architecture (CUDA) - a parallel computing architecture - has been developed by NVIDIA to utilize this performance in general purpose computations. Here we show for the first time a possible application of GPU for environmental studies serving as a basement for decision making strategies. A stochastic Lagrangian particle model has been developed on CUDA to estimate the transport and the transformation of the radionuclides from a single point source during an accidental release. Our results show that parallel implementation achieves typical acceleration values in the order of 80-120 times compared to CPU using a single-threaded implementation on a 2.33 GHz desktop computer. Only very small differences have been found between the results obtained from GPU and CPU simulations, which are comparable with the effect of stochastic transport phenomena in atmosphere. The relatively high speedup with no additional costs to maintain this parallel architecture could result in a wide usage of GPU for diversified environmental applications in the near future.Comment: 5 figure

Optimized Compilation of Aggregated Instructions for Realistic Quantum Computers

Recent developments in engineering and algorithms have made real-world applications in quantum computing possible in the near future. Existing quantum programming languages and compilers use a quantum assembly language composed of 1- and 2-qubit (quantum bit) gates. Quantum compiler frameworks translate this quantum assembly to electric signals (called control pulses) that implement the specified computation on specific physical devices. However, there is a mismatch between the operations defined by the 1- and 2-qubit logical ISA and their underlying physical implementation, so the current practice of directly translating logical instructions into control pulses results in inefficient, high-latency programs. To address this inefficiency, we propose a universal quantum compilation methodology that aggregates multiple logical operations into larger units that manipulate up to 10 qubits at a time. Our methodology then optimizes these aggregates by (1) finding commutative intermediate operations that result in more efficient schedules and (2) creating custom control pulses optimized for the aggregate (instead of individual 1- and 2-qubit operations). Compared to the standard gate-based compilation, the proposed approach realizes a deeper vertical integration of high-level quantum software and low-level, physical quantum hardware. We evaluate our approach on important near-term quantum applications on simulations of superconducting quantum architectures. Our proposed approach provides a mean speedup of $5\times$, with a maximum of $10\times$. Because latency directly affects the feasibility of quantum computation, our results not only improve performance but also have the potential to enable quantum computation sooner than otherwise possible.Comment: 13 pages, to apper in ASPLO

GME: GPU-based Microarchitectural Extensions to Accelerate Homomorphic Encryption

Fully Homomorphic Encryption (FHE) enables the processing of encrypted data without decrypting it. FHE has garnered significant attention over the past decade as it supports secure outsourcing of data processing to remote cloud services. Despite its promise of strong data privacy and security guarantees, FHE introduces a slowdown of up to five orders of magnitude as compared to the same computation using plaintext data. This overhead is presently a major barrier to the commercial adoption of FHE. In this work, we leverage GPUs to accelerate FHE, capitalizing on a well-established GPU ecosystem available in the cloud. We propose GME, which combines three key microarchitectural extensions along with a compile-time optimization to the current AMD CDNA GPU architecture. First, GME integrates a lightweight on-chip compute unit (CU)-side hierarchical interconnect to retain ciphertext in cache across FHE kernels, thus eliminating redundant memory transactions. Second, to tackle compute bottlenecks, GME introduces special MOD-units that provide native custom hardware support for modular reduction operations, one of the most commonly executed sets of operations in FHE. Third, by integrating the MOD-unit with our novel pipelined $64$-bit integer arithmetic cores (WMAC-units), GME further accelerates FHE workloads by $19\%$. Finally, we propose a Locality-Aware Block Scheduler (LABS) that exploits the temporal locality available in FHE primitive blocks. Incorporating these microarchitectural features and compiler optimizations, we create a synergistic approach achieving average speedups of $796\times$, $14.2\times$, and $2.3\times$ over Intel Xeon CPU, NVIDIA V100 GPU, and Xilinx FPGA implementations, respectively

GME: GPU-based Microarchitectural Extensions to Accelerate Homomorphic Encryption

Fully Homomorphic Encryption (FHE) enables the processing of encrypted data without decrypting it. FHE has garnered significant attention over the past decade as it supports secure outsourcing of data processing to remote cloud services. Despite its promise of strong data privacy and security guarantees, FHE introduces a slowdown of up to five orders of magnitude as compared to the same computation using plaintext data. This overhead is presently a major barrier to the commercial adoption of FHE. While prior efforts recommend moving to custom accelerators to accelerate FHE computing, these solutions lack cost-effectiveness and scalability. In this work, we leverage GPUs to accelerate FHE, capitalizing on a well-established GPU ecosystem that is available in the cloud. We propose GME, which combines three key microarchitectural extensions along with a compile-time optimization to the current AMD CDNA GPU architecture. First, GME integrates a lightweight on-chip compute unit (CU)-side hierarchical interconnect to retain ciphertext in cache across FHE kernels, thus eliminating redundant memory transactions and improving performance. Second, to tackle compute bottlenecks, GME introduces special MOD-units that provide native custom hardware support for modular reduction operations, one of the most commonly executed sets of operations in FHE. Third, by integrating the MOD-unit with our novel pipelined 64-bit integer arithmetic cores (WMAC-units), GME further accelerates FHE workloads by 19%. Finally, we propose a Locality-Aware Block Scheduler (LABS) that improves FHE workload performance, exploiting the temporal locality available in FHE primitive blocks. Incorporating these microarchitectural features and compiler optimizations, we create a synergistic approach achieving average speedups of 796×, 14.2×, and 2.3× over Intel Xeon CPU, NVIDIA V100 GPU, and Xilinx FPGA implementations, respectively

Investigating Single Precision Floating General Matrix Multiply in Heterogeneous Hardware

The fundamental operation of matrix multiplication is ubiquitous across a myriad of disciplines. Yet, the identification of new optimizations for matrix multiplication remains relevant for emerging hardware architectures and heterogeneous systems. Frameworks such as OpenCL enable computation orchestration on existing systems, and its availability using the Intel High Level Synthesis compiler allows users to architect new designs for reconfigurable hardware using C/C++. Using the HARPv2 as a vehicle for exploration, we investigate the utility of several of the most notable matrix multiplication optimizations to better understand the performance portability of OpenCL and the implications for such optimizations on this and future heterogeneous architectures. Our results give targeted insights into the applicability of best practices that were for existing architectures when used on emerging heterogeneous systems

The ReaxFF reactive force-field : development, applications and future directions

The reactive force-field (ReaxFF) interatomic potential is a powerful computational tool for exploring, developing and optimizing material properties. Methods based on the principles of quantum mechanics (QM), while offering valuable theoretical guidance at the electronic level, are often too computationally intense for simulations that consider the full dynamic evolution of a system. Alternatively, empirical interatomic potentials that are based on classical principles require significantly fewer computational resources, which enables simulations to better describe dynamic processes over longer timeframes and on larger scales. Such methods, however, typically require a predefined connectivity between atoms, precluding simulations that involve reactive events. The ReaxFF method was developed to help bridge this gap. Approaching the gap from the classical side, ReaxFF casts the empirical interatomic potential within a bond-order formalism, thus implicitly describing chemical bonding without expensive QM calculations. This article provides an overview of the development, application, and future directions of the ReaxFF method