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Surrogate-Guided Quantum Discovery in Black-Box Landscapes with Latent-Quadratic Interaction Embedding Transformers

arXiv 2602.09374 ↗First posted 10 Feb 2026quant-ph cs.AIcited by 0

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Abstract (arXiv)

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.

Key facts. No citing papers in the map yet (data through 13 Oct 2026). Builds on 6 of its 35 references that are in the map. First posted on arXiv 10 Feb 2026.

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References · 6

  1. 2017Proximal Policy Optimization Algorithmscited by 14,592
  2. 2020Transformers are RNNs: Fast Autoregressive Transformers with Linear Attentioncited by 1,994
  3. 2017DeepFM: A Factorization-Machine based Neural Network for CTR Predictioncited by 673
  4. 2017Attentional Factorization Machines: Learning the Weight of Feature Interactions via Attention Networkscited by 126
  5. 2022Discovering Many Diverse Solutions with Bayesian Optimizationcited by 30
  6. 2026Search-Based Risk Feature Discovery in Document Structure Spaces under a Constrained Budgetcited by 1

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