Benchmarking noisy quantum computers for variational workloads requires more than a single best energy number: two backends may reach similar energies while differing sharply in convergence speed, stability, and parameter sensitivity. We present a compact uncertainty quantification driven benchmarking study for the Variational Quantum Eigensolver (VQE), combining Bayesian optimization with Metropolis-Hastings refinement to search a backend conditioned VQE landscape and characterizing each backend by its best observed energy, evaluations to target, objective dispersion, and Sobol sensitivity fingerprint. On a 92 parameters LiH VQE across seven IBM fake backends, Brisbane wins overall (best energy 1.0207, top normalized quality), Kyoto matches its energy but converges five times more slowly, and Osaka trades a modest energy penalty for near optimal speed and low dispersion. The Sobol fingerprints further show that the dominant VQE parameters differ across backends, indicating backend specific robust regions rather than a universal calibration. Uncertainty quantification therefore provides a practical application level view of backend quality for near term variational workloads.

Quantum computing offers speedups, but NISQ processors face hardware-induced errors that degrade fidelity and reproducibility. We introduce an uncertainty-aware benchmarking framework that combines uncertainty quantification with global sensitivity analysis to evaluate not only peak fidelity but also its reliability over time. Using Bayesian Optimization with SGLD refinement under fixed budgets, seeds, bounds, and trust-region rules, and repeating runs across days, we capture calibration drift and quantify efficiency, stability, landscape complexity, and maintenance cost. A noise-aware Gaussian process surrogate provides scalable sensitivity estimates without error mitigation. Applied to VQAMET and VQC on three IBMQ backends, the framework delivers actionable guidance for co-tuning and backend selection, complementing and often outperforming quantum volume style metrics.

A coloring of a graph is an assignment of colors to vertices such that no two neighboring vertices have the same color. The need for memory-efficient coloring algorithms is motivated by their application in computing clique partitions of graphs arising in quantum computations where the objective is to map a large set of Pauli strings into a compact set of unitaries. We present Picasso, a randomized memory-efficient iterative parallel graph coloring algorithm with theoretical sublinear space guarantees under practical assumptions. The parameters of our algorithm provide a trade-off between coloring quality and resource consumption. To assist the user, we also propose a machine learning model to predict the coloring algorithm’s parameters considering these trade-offs. We provide a sequential and parallel implementation of the proposed algorithm.We perform an experimental evaluation on a 64-core AMD CPU equipped with 512 GB of memory and an Nvidia A100 GPU with 40GB of memory. For a small dataset where existing coloring algorithms can be executed within the 512 GB memory budget, we show up to 68× memory savings. On massive datasets, we demonstrate that GPU-accelerated Picasso can process inputs with 49.5× more Pauli strings (vertex set in our graph) and 2,478× more edges than state-of-the-art parallel approaches.

Qu YBE is an open-source algebraic compiler for the compression of quantum circuits. It has been applied for the efficient simulation of the Heisenberg Hamiltonian on quantum computers. Currently, it can simulate the time dynamics of one-dimensional chains. It includes modules to generate the quantum circuits for the above as well as produce the compressed circuits, which are independent of the time step. It utilizes the Yang-Baxter equation (YBE) to perform the compression. QuYBE enables users to seamlessly design, execute, and analyze the time dynamics of the Heisenberg Hamiltonian on quantum computers. QuYBE is the first step toward making the YBE technique available to a broader community of scientists from multiple domains. The QuYBE compiler is available at https://github.com/ZichangHe/QuYBE.

Variational quantum algorithm (VQA), which is comprised of a classical optimizer and a parameterized quantum circuit, emerges as one of the most promising approaches for harvesting the power of quantum computers in the noisy intermediate scale quantum (NISQ) era. However, the deployment of VQAs on contemporary NISQ devices often faces considerable system and time-dependant noise and prohibitively slow training speeds. On the other hand, the expensive supporting resources and infrastructure make quantum computers extremely keen on high utilization.

The CCSD(T) coupled-cluster model with perturbative triples is considered a gold standard for computational modeling of the correlated behavior of electrons in molecular systems. A fundamental constraint is the relatively small global-memory capacity in GPUs compared to the main-memory capacity on host nodes, necessitating relatively smaller tile sizes for high-dimensional tensor contractions in NWChem's GPU-accelerated implementation of the CCSD(T) method. A coordinated redesign is described to address this limitation and associated data movement overheads, including a novel fused GPU kernel for a set of tensor contractions, along with inter-node communication optimization and data caching. The new implementation of GPU-accelerated CCSD(T) improves overall performance by 3.4×. Finally, we discuss the trade-offs in using this fused algorithm on current and future supercomputing platforms.