Autonomous Algorithm Discovery for Ptychography via Evolutionary LLM Reasoning

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Main Authors: Yin, Xiangyu, Du, Ming, Deng, Junjing, Yang, Zhi, Han, Yimo, Jiang, Yi
Format: Preprint
Published: 2026
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author Yin, Xiangyu
Du, Ming
Deng, Junjing
Yang, Zhi
Han, Yimo
Jiang, Yi
author_facet Yin, Xiangyu
Du, Ming
Deng, Junjing
Yang, Zhi
Han, Yimo
Jiang, Yi
contents Ptychography is a computational imaging technique widely used for high-resolution materials characterization, but high-quality reconstructions often require the use of regularization functions that largely remain manually designed. We introduce Ptychi-Evolve, an autonomous framework that uses large language models (LLMs) to discover and evolve novel regularization algorithms. The framework combines LLM-driven code generation with evolutionary mechanisms, including semantically-guided crossover and mutation. Experiments on three challenging datasets (X-ray integrated circuits, low-dose electron microscopy of apoferritin, and multislice imaging with crosstalk artifacts) demonstrate that discovered regularizers outperform conventional reconstructions, achieving up to +0.26 SSIM and +8.3~dB PSNR improvements. Besides, Ptychi-Evolve records algorithm lineage and evolution metadata, enabling interpretable and reproducible analysis of discovered regularizers.
format Preprint
id arxiv_https___arxiv_org_abs_2603_05696
institution arXiv
publishDate 2026
record_format arxiv
spellingShingle Autonomous Algorithm Discovery for Ptychography via Evolutionary LLM Reasoning
Yin, Xiangyu
Du, Ming
Deng, Junjing
Yang, Zhi
Han, Yimo
Jiang, Yi
Computational Engineering, Finance, and Science
Artificial Intelligence
Computation and Language
Numerical Analysis
Ptychography is a computational imaging technique widely used for high-resolution materials characterization, but high-quality reconstructions often require the use of regularization functions that largely remain manually designed. We introduce Ptychi-Evolve, an autonomous framework that uses large language models (LLMs) to discover and evolve novel regularization algorithms. The framework combines LLM-driven code generation with evolutionary mechanisms, including semantically-guided crossover and mutation. Experiments on three challenging datasets (X-ray integrated circuits, low-dose electron microscopy of apoferritin, and multislice imaging with crosstalk artifacts) demonstrate that discovered regularizers outperform conventional reconstructions, achieving up to +0.26 SSIM and +8.3~dB PSNR improvements. Besides, Ptychi-Evolve records algorithm lineage and evolution metadata, enabling interpretable and reproducible analysis of discovered regularizers.
title Autonomous Algorithm Discovery for Ptychography via Evolutionary LLM Reasoning
topic Computational Engineering, Finance, and Science
Artificial Intelligence
Computation and Language
Numerical Analysis
url https://arxiv.org/abs/2603.05696