Radev Stefan T, D'Alessandro Marco, Mertens Ulf K, Voss Andreas, Kothe Ullrich, Burkner Paul-Christian
IEEE Trans Neural Netw Learn Syst. 2023 Aug;34(8):4903-4917. doi: 10.1109/TNNLS.2021.3124052. Epub 2023 Aug 4.
Comparing competing mathematical models of complex processes is a shared goal among many branches of science. The Bayesian probabilistic framework offers a principled way to perform model comparison and extract useful metrics for guiding decisions. However, many interesting models are intractable with standard Bayesian methods, as they lack a closed-form likelihood function or the likelihood is computationally too expensive to evaluate. In this work, we propose a novel method for performing Bayesian model comparison using specialized deep learning architectures. Our method is purely simulation-based and circumvents the step of explicitly fitting all alternative models under consideration to each observed dataset. Moreover, it requires no hand-crafted summary statistics of the data and is designed to amortize the cost of simulation over multiple models, datasets, and dataset sizes. This makes the method especially effective in scenarios where model fit needs to be assessed for a large number of datasets, so that case-based inference is practically infeasible. Finally, we propose a novel way to measure epistemic uncertainty in model comparison problems. We demonstrate the utility of our method on toy examples and simulated data from nontrivial models from cognitive science and single-cell neuroscience. We show that our method achieves excellent results in terms of accuracy, calibration, and efficiency across the examples considered in this work. We argue that our framework can enhance and enrich model-based analysis and inference in many fields dealing with computational models of natural processes. We further argue that the proposed measure of epistemic uncertainty provides a unique proxy to quantify absolute evidence even in a framework which assumes that the true data-generating model is within a finite set of candidate models.
比较复杂过程的竞争数学模型是许多科学分支的共同目标。贝叶斯概率框架提供了一种有原则的方法来进行模型比较并提取有用的指标以指导决策。然而,许多有趣的模型用标准贝叶斯方法难以处理,因为它们缺乏封闭形式的似然函数,或者似然函数的计算成本过高而无法评估。在这项工作中,我们提出了一种使用专门的深度学习架构进行贝叶斯模型比较的新方法。我们的方法完全基于模拟,规避了将所有考虑的替代模型明确拟合到每个观测数据集的步骤。此外,它不需要人工制作的数据汇总统计量,并且旨在分摊多个模型、数据集和数据集大小上的模拟成本。这使得该方法在需要针对大量数据集评估模型拟合的场景中特别有效,以至于基于案例的推理实际上不可行。最后,我们提出了一种在模型比较问题中测量认知不确定性的新方法。我们在玩具示例以及来自认知科学和单细胞神经科学的非平凡模型的模拟数据上展示了我们方法的效用。我们表明,在这项工作中考虑的示例中,我们的方法在准确性、校准和效率方面都取得了优异的结果。我们认为,我们的框架可以增强和丰富许多处理自然过程计算模型的领域中基于模型的分析和推理。我们进一步认为,即使在假设真实数据生成模型在有限候选模型集内的框架中,所提出的认知不确定性度量也提供了一种独特的代理来量化绝对证据。