Implicit Binarization via Complex Phase Dynamics in Combinatorial Optimization

Discrete optimization is ubiquitous in science and engineering. The vast array of existing discrete optimization problems, coupled with the continuous emergence of new ones, necessitates off-the-shelf optimizers capable of generating high-quality solutions for a large variety of optimization problems. This article introduces MEGO, a novel general-purpose neural optimizer for binary optimization under the black-box setting, intended for broad applicability across diverse binary optimization problem classes with minimal problem-specific customization. MEGO comprises a mixture-of-experts trained without domain knowledge. When presented with a new problem instance to solve, it employs a routing policy to dynamically activate the most relevant expert models to generate high-quality solutions. The strong generalization capability of MEGO is demonstrated on six problem classes from different disciplines, including classic problems and real-world applications. Trained solely on classic problems, MEGO effectively generalizes to unseen and complex real-world problem classes, significantly outperforming widely-used general-purpose optimizers in both solution quality and efficiency. Furthermore, MEGO provides a computational approach for quantifying similarity between optimization problems and classifying them, which is fundamentally different from the conventional analysis-based problem classification.

Quadratic Unconstrained Binary Optimization (QUBO) is a central formulation for combinatorial optimization and has gained increasing attention due to its compatibility with quantum, hybrid quantum-classical, and quantum-inspired solvers. However, translating natural-language problem descriptions into correct QUBO formulations remains difficult, requiring the identification of binary variables, constraints, objective functions, penalty terms, and suitable penalty weights. This process is time-consuming and often demands substantial domain expertise. To address this challenge, we propose an end-to-end multi-agent framework that automatically generates QUBO formulations from natural-language problem descriptions, supported by structured or unstructured test cases. To evaluate its performance, We also introduce QUBOBench, a benchmark containing 100 combinatorial optimization problems across 12 application domains, curated from peer-reviewed literature, competitions, and canonical NP-hard problems. Experimental results show that our framework achieves 68% accuracy on QUBOBench, outperforming a direct single-call baseline by 22%. Further analysis identifies iterative self-repair as the most important component contributing to improved performance. The data and code are open-sourced at https://quitttcat.github.io/QuantumQUBOAgent.

Black-box optimization (BBO) deals with problems where objective functions lack explicit analytical forms and are expensive to evaluate. Factorization machine with quadratic-optimization annealing (FMQA) constructs a surrogate model using a factorization machine (FM) and optimizes it with an Ising machine. Conventional FMQA applies a single integer-binary encoding throughout the optimization process, although the encoding best suited to surrogate learning may differ from the one best suited to Ising-machine solution search. We propose a stage-dependent FMQA framework and derive conversion formulas between one-hot and domain-wall QUBO matrices that preserve the surrogate objective over feasible integer states up to an additive constant. We evaluate the OhDw variant, which employs one-hot encoding for learning and domain-wall encoding for search, on the Rastrigin function with input dimensions N = 2 and 5 and discretization levels q = 61 and 301. Across all conditions, the dominant factor governing optimization performance is the encoding used in the learning stage, with one-hot encoding consistently yielding lower residual errors than domain-wall or binary encoding. The additional benefit of switching to domain-wall encoding for solution search is condition-dependent. For N = 5 and q = 301, OhDw achieves a lower residual error and solutions closer to the global optimum than one-hot-only FMQA, whereas for N = 5 and q = 61 the latter achieves a lower residual error. These results indicate that one-hot encoding in the learning stage is the primary performance driver and that stage-dependent encoding can provide further improvement under finer discretization.