用自注意力建模高阶交互,让量子采样更高效发现罕见风险配置。
Surrogate-Guided Quantum Discovery in Black-Box Landscapes with Latent-Quadratic Interaction Embedding Transformers
- 用自注意力机制学习变量间高阶依赖,转为量子兼容的二次型哈密顿量。
- 在企业文档系统中发现的异常配置数量是经典方法的两倍,且覆盖更多独特高价值样本。
- 适合需要高多样性、低查询成本的黑箱优化场景,如安全风险探测。
在昂贵的黑箱评估与严格查询预算下,同时发现高价值且结构多样的配置仍是数据驱动发现的核心挑战。传统优化器聚焦主流模式,质量-多样性方法则需大量评估来填充高维档案。量子近似优化算法(QAOA)虽可实现分布采样,但需显式问题哈密顿量,而黑箱场景中该量不可得。实用量子电路偏好二次哈密顿量,因高阶相互作用实现成本高。现有基于因子分解机(FM)的二次代理模型仅能捕捉成对结构。本文通过自注意力建模更高阶变量依赖,并将其投影为符合QAOA要求的正半定二次形式,实现基于学习能量景观的多样性导向量子采样,突破成对限制。在企业文档处理系统的风险发现任务中评估,量子引导采样在保持竞争力价值的同时,持续提升结构多样性与独家发现能力。相比FM代理,本方法提供更高保真度的代理景观与更强极端案例发现能力。实验表明,本方法找回的结构性尾部风险异常值约是多数经典基线的两倍,并识别出未被其他方法覆盖的高价值配置子集,验证了学习高阶交互并投影至二次代理哈密顿量的有效性。
原文摘要 · Abstract (English)
Discovering configurations that are both high-utility and structurally diverse under expensive black-box evaluation and strict query budgets remains a central challenge in data-driven discovery. Many classical optimizers concentrate on dominant modes, while quality-diversity methods require large evaluation budgets to populate high-dimensional archives. Quantum Approximate Optimization Algorithm (QAOA) provides distributional sampling but requires an explicit problem Hamiltonian, which is unavailable in black-box settings. Practical quantum circuits favor quadratic Hamiltonians since higher-order interaction terms are costly to realize. Learned quadratic surrogates such as Factorization Machines (FM) have been used as proxies, but are limited to pairwise structure. We extend this surrogate-to-Hamiltonian approach by modelling higher-order variable dependencies via self-attention and projects them into a valid Positive Semi-Definite quadratic form compatible with QAOA. This enables diversity-oriented quantum sampling from learned energy landscapes while capturing interaction structure beyond pairwise terms. We evaluate on risk discovery for enterprise document processing systems against diverse classical optimizers. Quantum-guided samplers achieve competitive utility while consistently improving structural diversity and exclusive discovery. FM surrogates provide stronger early coverage, whereas ours yields higher-fidelity surrogate landscapes and better extreme-case discovery. Our method recovers roughly twice as many structurally tail-risk outliers as most classical baselines and identify an exclusive non-overlapping fraction of high-utility configurations not found by competing methods, highlighting that an effective mechanism for learning higher-order interaction structure and projecting it into quadratic surrogate Hamiltonians for quantum-assisted black-box discovery.
Thank you to arXiv for use of its open access interoperability. PaperDance 不是 arXiv 官方产品;中文卡片由大模型生成,请以原文为准。