用模拟数据训练神经网络,快速实现复杂模型的参数推断。
Simulation-Based Inference: A Practical Guide
- 通过模拟器生成数据训练神经网络,绕过难以计算的似然函数。
- 训练后可直接对新观测数据快速进行贝叶斯推断,无需重跑模拟。
- 适合物理、神经科学等难以建模但可模拟的领域研究人员。
科学与工程中一个核心挑战是找到与先验知识和实测数据一致的模型参数。贝叶斯推断为此提供了严谨框架,但当模型由随机模拟器定义时,计算成本过高。仿真基础推断(Simulation-Based Inference, SBI)是一系列为克服此限制而开发的方法,已在粒子物理、天体物理和神经科学等领域推动了科学发现。SBI的核心思想是利用模拟器生成的数据训练神经网络,无需访问似然函数。训练完成后,推断过程被“摊销”:神经网络可快速对实测数据执行贝叶斯推断,无需额外训练或模拟。本文提供一份面向实践者的实用指南,系统梳理SBI工作流程,并在每个阶段提供具体建议与诊断工具——从设置模拟器与先验分布,到选择并训练推断网络,再到执行推断与结果验证。我们通过天体物理、心理物理学和神经科学中的实例说明这些步骤。本教程使研究者能够应用前沿SBI方法,高效完成参数推断,助力科学发现。
原文摘要 · Abstract (English)
A central challenge in many areas of science and engineering is to identify model parameters that are consistent with prior knowledge and empirical data. Bayesian inference offers a principled framework for this task, but can be computationally prohibitive when models are defined by stochastic simulators. Simulation-based Inference (SBI) is a suite of methods developed to overcome this limitation, which has enabled scientific discoveries in fields such as particle physics, astrophysics, and neuroscience. The core idea of SBI is to train neural networks on data generated by a simulator, without requiring access to likelihood evaluations. Once trained, inference is amortized: The neural network can rapidly perform Bayesian inference on empirical observations without requiring additional training or simulations. In this tutorial, we provide a practical guide for practitioners aiming to apply SBI methods. We outline a structured SBI workflow and offer practical guidelines and diagnostic tools for every stage of the process -- from setting up the simulator and prior, choosing and training inference networks, to performing inference and validating the results. We illustrate these steps through examples from astrophysics, psychophysics, and neuroscience. This tutorial empowers researchers to apply state-of-the-art SBI methods, facilitating efficient parameter inference for scientific discovery.
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