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    Data-efficient surrogate modeling of spectral functions using Gaussian processes: An application to the t−t′−t″−J model

    Sanket Jantre1,*, Nathan M. Urban1, Weiguo Yin2, and Niraj Aryal2,†

    • *Contact author: sjantre@bnl.gov
    • †Contact author: naryal@bnl.gov

    Phys. Rev. B 114, 185115 – Published 14 September, 2026

    DOI: https://doi.org/10.1103/k8zg-h6mp

    Abstract

    Spectral functions encode key many-body information but are costly to compute with high fidelity. Machine-learning surrogates have emerged as a powerful alternative, yet many approaches require large training datasets. We develop a data-efficient surrogate for spectral functions using the t−t′−t″−J model, which describes the motion of a hole in a quantum antiferromagnet. Using ∼105 self-consistent Born approximation-based spectra from Lee, Carbone, and Yin [Phys. Rev. B 107, 205132 (2023)], we train a deep-kernel Gaussian process surrogate model with sparse variational inference (DKL-SVGP) using only 10% of the available training spectra. We benchmark against feedforward neural networks (FFNN) trained on the same reduced subset and on the full dataset. The proposed DKL-SVGP model consistently outperforms the reduced-data FFNN and, despite using only 10% of the training spectra, achieves spectrumwise errors within the same order of magnitude as the full-data FFNN baseline. Worst-tail diagnostics show improved fidelity on difficult spectra, while peak-level analysis indicates that DKL-SVGP recovers dominant peak heights with comparable accuracy and improves peak-location agreement under a matched-peak evaluation that mitigates rare peak-swapping cases. Overall, these results highlight GP-based surrogates as a competitive and data-efficient approach for spectral-function prediction in scarce-data regimes.

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