Quantum Annealing

Graph coarsening reduces the large Quadratic Unconstrained Binary Optimization (QUBO) formulations arising when vehicle-routing problems are solved by quantum annealing. Nearby customers with compatible time windows are merged into super-nodes, the reduced problem is solved, and the solution is expanded to the original graph. For the Capacitated Vehicle Routing Problem with Time Windows (CVRPTW), existing coarsening heuristics require family-specific tuning and remain unreliable on random instances. We address these limitations on the Solomon benchmark using simulated annealing and a D-Wave Advantage2 processor. We first introduce adaptive penalty calibration. Uniform penalty scaling has little effect, whereas controlling the internal coefficient range substantially improves raw samples. Removing non-binding constraints, normalising binding ones, and scaling the remaining penalties reduces mean raw constraint violations from 33.0 to 0.06 at the same solver budget (p=3.7e-11, n=56). A variable-count-preserving control attributes this gain to conditioning rather than problem size. Second, we replace the hand-tuned merge score with a graph neural network (GNN) using one configuration across all families. At N=10, it achieves 100% feasibility across all Solomon families, including R-type (100% vs. 80% for the tuned heuristic). Across N=10,...,100, feasibility is 83% vs. 69%, with the GNN better or tied on 85/90 instance-size pairs. At N=80,100, the difference is significant (p=0.002; 25/25 pairs), while the QUBO remains approximately 5-6 times smaller. Finally, hardware experiments reproduce the conditioning effect at fixed logical variable count: feasible samples increase from 0.02% to 39% across 13 instances. Classical repair with local search remains a reference bound for end-to-end solution cost.

Remaining useful life (RUL) estimation is central to predictive maintenance, where an unplanned failure can cost far more than the asset itself. Statistical degradation models miss the strong nonlinearity of real systems, and data-driven models often converge to suboptimal solutions in high-dimensional, non-convex search spaces. We propose a Quantum Annealing enhanced Q-Learning (QAQL) framework that couples the sampling behaviour of quantum annealing with the sequential decision making of Q-learning. Each Q-value update is encoded as a small quadratic unconstrained binary optimization (QUBO) whose ground state is the greedy action; rather than acting as a deterministic optimizer, the annealer returns a distribution over near-optimal actions across many reads, and this stochastic action selection supplies the exploration that curbs premature convergence on nonlinear degradation trajectories. The QUBO is solved on the D-Wave Advantage system using minor embedding, with the annealer woven into the reinforcement-learning loop rather than bolted on after training. We validate QAQL on two public benchmarks: the NASA C-MAPSS turbofan engine datasets and a device-fleet predictive maintenance dataset. Averaged over many independent runs and across six error metrics, QAQL outperforms the classical and quantum baselines considered in this study, with statistically significant improvements. The results indicate that quantum annealing is a usable, not merely theoretical, optimizer inside a reinforcement-learning loop for industrial predictive-maintenance applications.

Proton dissociation constants (pKa) are critical for functional molecule discovery and molecular modeling. Building on iBonD, the largest experimental pKa database established, we and other researchers have developed several methods including machine-learning-based empirical prediction and high-accuracy energy calculations. Despite this foundation, the rapid augmentation of high-quality pKa data remains fundamentally constrained. As part of this work, we performed large-scale regression-based pKa prediction on unlabeled molecular datasets using a collection of extensively optimized machine-learning models. The results indicate that, since the feature distributions of unlabeled molecular datasets, the pKa data distribution approximates normality, with extreme scarcity of tail-region samples. Although such augmentation is highly valuable for improving overall data availability and predictive modeling, it remains insufficient for efficiently discovering molecules with broad-spectrum pKa properties. To address this, we explore the targeted generation of molecules with sparse pKa properties from the vast chemical space. Given that traditional continuous latent space VAE-RNN methods for molecular generation suffer from insufficient stability and fail to demonstrate clear advantages in complementing sparse data, we design and implement a quantum-assisted sparse-pKa molecular generation. Feasibility is validated on a simulated quantum annealer, and superior extreme-value sampling is further achieved on physical coherent Ising machines (CIMs). (to be continued)

Attention mechanisms are central to modern sequence models, yet standard attention computes relevance primarily through individual query--key similarities. Although softmax normalization introduces competition among positions, a standard attention layer does not explicitly parameterize learnable interactions between attention decisions. This limits its ability to directly model cooperative or antagonistic co-attention structure within the attention mechanism itself. We propose Boltzmann attention, an energy-based generalization in which attention patterns are governed by an interacting Ising model. The method augments the usual data-dependent local fields with learnable pairwise couplings, allowing the model to represent inter-position correlations beyond those captured by softmax or sigmoid attention. Experiments on character-level language modeling and synthetic bracket matching show that Boltzmann attention consistently improves over standard softmax attention within a standard Transformer architecture, with the advantage becoming more pronounced as sequence length increases. A four-way ablation confirms that the improvement arises from the learnable pairwise couplings. These results suggest that explicit inter-position interactions provide a principled enhancement for attention-based sequence modeling. Moreover, the Ising formulation opens a natural path toward quantum-computing-based sampling strategies: we demonstrate that diabatic quantum annealing provides a practical training method while maintaining competitive performance with exact Boltzmann computation.

Marine oil spills require rapid detection to mitigate severe ecological and economic damage. While satellite-based Synthetic Aperture Radar (SAR) provides essential all-weather monitoring, analyzing this data remains challenging. Deep learning models often require massive datasets and incur high latency. To address this, a pixel-wise quantum-assisted Support Vector Machine (QSVM) bagging ensemble is developed. Quantum annealing is leveraged to optimize the support vectors of individual weak SVMs on small data subsets, which are then classically aggregated. The approach is evaluated on Sentinel-1 imagery using both quantum simulation and physical quantum annealing hardware. The quantum-assisted pipeline achieved performance comparable to a rigorous classical baseline, yielding an Intersection-over-Union (IoU) of 0.60 and a balanced accuracy of 0.89. Complementary experiments with gate-based quantum computing demonstrated similar segmentation accuracy, although the annealing approach offered superior inference efficiency. Generalization was further assessed on independent oil spill imagery from the Strait of Hormuz, demonstrating the potential transferability of the trained pipeline to geographically distinct spill events. These results establish the feasibility of quantum-assisted, segmentation pipelines for near-real-time environmental monitoring.

Robotic hand kinematic design involves combinatorial selection among multiple finger structures whose performance depends on both individual kinematic characteristics and inter-finger interactions. This study presents a potential-dexterity-based quadratic unconstrained binary optimization (QUBO) formulation for combinatorial optimization of robotic hand kinematic structures. Potential dexterity-related metrics were evaluated through kinematic analysis and encoded into a 27-variable QUBO problem incorporating individual finger performance, thumb-to-finger workspace-overlap interactions, one-hot selection constraints, and pairwise structural compatibility. Exhaustive evaluation of the design space established a reference optimum and enabled direct validation of the formulated objective. Discretization sensitivity analysis showed that the selected design remained unchanged across the tested joint-space sampling intervals and at a finer workspace voxel resolution, while sensitivity was observed under coarse voxelization. Simulated annealing consistently recovered the reference optimum at higher sampling counts, and direct execution on D-Wave quantum annealing hardware also recovered the reference optimum under all tested sampling conditions. These results demonstrate that the proposed formulation provides a common QUBO representation for constrained robotic hand kinematic structure selection and enables evaluation using exhaustive, classical annealing, and quantum annealing approaches.

Federated Learning (FL) trains a global model across decentralized clients while preserving data privacy, but at scale it is vulnerable to malicious updates. Byzantine-resilient aggregation methods such as MultiKrum score gradients against their nearest neighbors and can miss malicious updates that preserve the statistical properties of honest ones. We propose a quantum annealing approach that reformulates client selection as a Quadratic Unconstrained Binary Optimization (QUBO) problem, encoding pairwise distances into a cost function solved by quantum annealers (QA). Unlike MultiKrum's greedy per-client scoring, the QUBO formulation jointly optimizes over all subsets to find the mutually closest group of $m$ clients. At small scale (15 clients), QUBO outperforms MultiKrum on the most challenging Byzantine attacks: e.g., Advanced LIE is detected with 95.11% accuracy versus 81.33% on MNIST and 97.78% versus 75.56% on CIFAR-10. QUBO fares poorly on simpler attacks where MultiKrum excels, so the two methods are complementary. QUBO quality also degrades as the number of clients grows. To address this, we introduce a MultiSignal ensemble that uses a dual-feature routing gate based on Euclidean and cosine Krum score gaps to classify attacks into four regimes and routes evasion attacks to a suspicion-penalized QUBO with agreement voting. At 100 clients on MNIST, MultiSignal achieves 95.3% average detection accuracy versus 91.8% for classical MultiKrum, with the largest gains on Sparse Lie (72.0% to 95.2%, +23.2 points) and Advanced Lie (80.4% to 85.2%, +4.8 points). These results show that QUBO-based quantum annealing with MultiSignal is a principled and scalable defense against the most challenging Byzantine strategies in federated learning.

Deep learning models are used in critical applications, in which mistakes can have serious consequences. Therefore, it is crucial to understand how and why models generate predictions. This understanding provides useful information to check whether the model is learning the right patterns, detect biases in the data, improve model design, and build systems that can be trusted. This work proposes a new method for interpreting Convolutional Neural Networks in image classification tasks. The approach works by selecting the most representative feature maps that contribute to each prediction. To solve this combinatorial problem, we encode it into a quantum constrained optimization problem and propose to solve it using quantum annealing. We evaluate our method against the state-of-the-art explainable AI techniques, specifically GradCAM and GradCAM++, and observe an improved class disentanglement, i.e. the model's decision boundaries become more distinct and its reasoning more transparent. This demonstrates that our approach enhances the quality of explanations, making it easier to understand which features the model relies on for specific predictions. In addition, we study the computational behavior of the quantum annealing algorithm. Specifically, we analyze the minimum energy gap of the system during computation and the probability that the algorithm finds the correct solution. These analyses provide theoretical insight into why the method works effectively in practice.

The Newton-Raphson (NR) method is widely used for solving power flow (PF) equations due to its quadratic convergence. However, its performance deteriorates under poor initialization or extreme operating scenarios, e.g., high levels of renewable energy penetration. We propose the use of reinforcement learning (RL) to optimize the initialization of NR, and introduce a quantum-enhanced RL environment update mechanism that addresses the combinatorially large action space at each RL timestep by formulating the voltage adjustment task as a Quadratic Unconstrained Binary Optimization (QUBO) problem, solved with an Ising machine. RL initialization is benchmarked against flat start and start from the DC (linearized) PF solution on a standard 4-bus system, Iwamoto's ill-conditioned 11-bus system, and the IEEE 118-bus system under normal and stressed loading and reactive power limits, with verified operational solutions. On all systems, a supervised initializer refined by RL requires fewer NR iterations than flat and DC starts and than the same initializer without RL, for all seeds. For example, on the 118-bus system under normal and stressed loading, it reached 2.04 and 2.86 NR iterations, compared with 3.02 and 5.13 from DC start and 2.61 and 3.09 without RL. In wall-clock time, this pays off only for an initializer integrated into the solver and reused for many solves on a fixed topology. On the 4-bus system, a quantum-enhanced RL agent with a quantum-inspired annealer moved challenging initial states that required 29 and 44 NR iterations to initializations that required three NR iterations within one RL timestep.

A local-valley (LV) centered approach to assessing the quality of sampling from Restricted Boltzmann Machines (RBMs) was applied to the latest generation of the D-Wave quantum annealer. D-Wave and Gibbs samples from a classically trained RBM were obtained at conditions relevant to the contrastive-divergence-based RBM learning. The samples were compared for the number of the LVs to which they belonged and the energy of the corresponding local minima. No significant (desirable) increase in the number of the LVs has been achieved by decreasing the D-Wave annealing time. At any training epoch, the states sampled by the D-Wave belonged to a somewhat higher number of LVs than in the Gibbs sampling. However, many of those LVs found by the two techniques differed. For high-probability sampled states, the two techniques were (unfavorably) less complementary and more overlapping. Nevertheless, many potentially "important" local minima, i.e., those having intermediate, even if not high, probability values, were found by only one of the two sampling techniques while missed by the other. The two techniques overlapped less at later than earlier training epochs, which is precisely the stage of the training when modest improvements to the sampling quality could make meaningful differences for the RBM trainability. The results of this work may explain the failure of previous investigations to achieve substantial (or any) improvement when using D-Wave-based sampling. However, the results reveal some potential for improvement, e.g., using a combined classical-quantum approach.