Qubit allocation is a central step in adapting abstract quantum circuits to noisy intermediate-scale quantum devices, yet exact approaches for solving it face severe scalability limitations. In this work, we revisit the formulation of qubit allocation as a permutation-based quadratic assignment problem and develop a branch-and-bound algorithm for its exact resolution. We first establish a refined sequential implementation that achieves significantly faster runtimes than previous exact approaches on most problem instances, thereby setting a new state-of-the-art for this formulation. Building on this foundation, we extend the approach to a performance-aware parallel implementation that exploits both intra-node and inter-node parallelism on High-Performance Computing (HPC) infrastructures. Our experimental evaluation demonstrates near-linear strong scaling at the intra-node level and substantial scalability in distributed settings across nodes. Leveraging these capabilities, we provide reference optimal solutions for challenging benchmark circuits of up to 26 qubits—significantly larger than previously reported instances. These results show that large-scale parallelization can effectively extend the reach of exact methods for qubit allocation, thereby advancing the integration of combinatorial optimization and HPC techniques in quantum computing.

ABSTRACT The Branch‐and‐Bound (B&B) technique plays a key role in solving many combinatorial optimization problems, enabling efficient problem‐solving and decision‐making in a wide range of applications. It incrementally constructs a tree by building candidates to the solutions and abandoning a candidate as soon as it determines that it cannot lead to an optimal solution. With modern problems growing increasingly large, accelerating B&B algorithms through parallelization has become a critical challenge for handling large solution spaces. At the same time, modern parallel computing systems themselves are becoming larger, more heterogeneous, and more diverse, requiring programming approaches capable of effectively exploiting such complexity. To address these challenges, this work presents a GPU‐accelerated B&B algorithm based on the Partitioned Global Address Space (PGAS) programming model, implemented using the Chapel language. The PGAS‐based design is motivated by the high‐level abstraction provided by this programming model, which favors programmability, whereas vendor‐neutral GPU features of the Chapel language favor GPU portability. The algorithm uses a pool‐based approach for generality and exploits a dynamic load balancing mechanism for performance scalability. Extensive experimentation on the N‐Queens and permutation flowshop scheduling problems demonstrated both code performance and code portability of the proposed algorithm on several GPU architectures compared to optimized CUDA‐based implementations. Moreover, the strong scaling efficiency of the proposed algorithm is investigated on a TOP500 pre‐exascale supercomputer up to 1024 GPUs.

Abstract With the recent arrival of the exascale era, modern supercomputers are increasingly big making their programming much more complex. In addition to performance, software productivity is a major concern to choose a programming language, such as Chapel, designed for exascale computing. In this paper, we investigate the design of a parallel distributed tree‐search algorithm, namely P3D‐DFS, and its implementation using Chapel. The design is based on the Chapel's DistBag data structure, revisited by: (1) redefining the data structure for Depth‐First tree‐Search (DFS), henceforth renamed DistBag‐DFS; (2) redesigning the underlying load balancing mechanism. In addition, we propose two instantiations of P3D‐DFS considering the Branch‐and‐Bound (B&B) and Unbalanced Tree Search (UTS) algorithms. In order to evaluate how much performance is traded for productivity, we compare the Chapel‐based implementations of B&B and UTS to their best‐known counterparts based on traditional OpenMP (intra‐node) and MPI+X (inter‐node). For experimental validation using 4096 processing cores, we consider the permutation flow‐shop scheduling problem for B&B and synthetic literature benchmarks for UTS. The reported results show that P3D‐DFS competes with its OpenMP baselines for coarser‐grained shared‐memory scenarios, and with its MPI+X counterparts for distributed‐memory settings, considering both performance and productivity‐awareness. In the context of this work, this makes Chapel an alternative to OpenMP/MPI+X for exascale programming.