arXiv:2507.08867physics.data-ancs.LG2025-07

用最优传输校准模拟数据,让高维粒子物理模型更接近真实实验。

Mind the Gap: Navigating Inference with Optimal Transport Maps

  • 基于最优传输构建模型校准方法,修正模拟与实验间的偏差。
  • 在128维喷注表征上校准后,下游任务性能显著提升。
  • 适合需要高精度模拟的粒子物理与跨学科科学计算场景。

机器学习技术在科学领域提升了对新现象的敏感度。在粒子物理中,进展很大程度依赖于对多种物理过程的高质量模拟。然而,现代机器学习算法对训练样本质量要求高,模拟与实验数据间的差异会严重限制其效果。本文提出一种基于最优传输的模型校准方法,首次应用于高维模拟。通过模拟大型强子对撞机CMS实验的喷注分类任务验证:对一个由通用分类器生成的128维内部喷注表征进行校准后,由此衍生的多种下游量被正确校准。这使得喷注味信息可在LHC分析中实现强大新应用,是迈向无偏使用‘基础模型’的重要一步。该校准框架在跨科学领域的高维模拟修正中具有广泛应用前景。

原文摘要 · Abstract (English)

Machine learning (ML) techniques have recently enabled enormous gains in sensitivity to new phenomena across the sciences. In particle physics, much of this progress has relied on excellent simulations of a wide range of physical processes. However, due to the sophistication of modern machine learning algorithms and their reliance on high-quality training samples, discrepancies between simulation and experimental data can significantly limit their effectiveness. In this work, we present a solution to this ``misspecification'' problem: a model calibration approach based on optimal transport, which we apply to high-dimensional simulations for the first time. We demonstrate the performance of our approach through jet tagging, using a dataset inspired by the CMS experiment at the Large Hadron Collider. A 128-dimensional internal jet representation from a powerful general-purpose classifier is studied; after calibrating this internal ``latent'' representation, we find that a wide variety of quantities derived from it for downstream tasks are also properly calibrated: using this calibrated high-dimensional representation, powerful new applications of jet flavor information can be utilized in LHC analyses. This is a key step toward allowing the unbiased use of ``foundation models'' in particle physics. More broadly, this calibration framework has broad applications for correcting high-dimensional simulations across the sciences.

粒子物理最优传输模型校准高维模拟

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