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arXiv 提交日期: 2026-04-01
📄 Abstract - Bridging the Simulation-to-Experiment Gap with Generative Models using Adversarial Distribution Alignment

A fundamental challenge in science and engineering is the simulation-to-experiment gap. While we often possess prior knowledge of physical laws, these physical laws can be too difficult to solve exactly for complex systems. Such systems are commonly modeled using simulators, which impose computational approximations. Meanwhile, experimental measurements more faithfully represent the real world, but experimental data typically consists of observations that only partially reflect the system's full underlying state. We propose a data-driven distribution alignment framework that bridges this simulation-to-experiment gap by pre-training a generative model on fully observed (but imperfect) simulation data, then aligning it with partial (but real) observations of experimental data. While our method is domain-agnostic, we ground our approach in the physical sciences by introducing Adversarial Distribution Alignment (ADA). This method aligns a generative model of atomic positions -- initially trained on a simulated Boltzmann distribution -- with the distribution of experimental observations. We prove that our method recovers the target observable distribution, even with multiple, potentially correlated observables. We also empirically validate our framework on synthetic, molecular, and experimental protein data, demonstrating that it can align generative models with diverse observables. Our code is available at this https URL.

顶级标签: machine learning model training systems
详细标签: generative models distribution alignment adversarial training simulation-to-real domain adaptation 或 搜索:

利用生成模型和对抗性分布对齐弥合仿真与实验间的鸿沟 / Bridging the Simulation-to-Experiment Gap with Generative Models using Adversarial Distribution Alignment


1️⃣ 一句话总结

这篇论文提出了一种名为对抗性分布对齐(ADA)的数据驱动方法,通过先利用仿真数据训练一个生成模型,再将其与真实但部分观测的实验数据分布进行对齐,从而有效弥合了复杂系统仿真与真实实验之间的差距。

源自 arXiv: 2604.01169