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arXiv 2402.01929cs.LGstat.ML
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采样、估计、聚合:因果发现基础模型的配方

Sample, estimate, aggregate: A recipe for causal discovery foundation models

Massachusetts Institute of Technology(麻省理工学院);Accenture(埃森哲)

Menghua Wu, Yujia Bao, Regina Barzilay, Tommi Jaakkola

AI总结:

提出一种受基础模型启发的因果发现方法,通过在大规模合成数据上训练监督模型,利用汇总统计量预测因果图,实现对数百变量图的高效、鲁棒推断。

摘要:

因果发现,即从数据中推断因果结构的任务,有潜力从生物实验中揭示机制性见解,尤其是涉及扰动的实验。然而,在变量集合较大时,因果发现算法往往对设定错误或数据有限的情况表现脆弱。例如,单细胞转录组学测量数千个基因,但它们之间关系的性质尚不清楚,且每个干预条件下的细胞可能仅有数十个。为缓解这些挑战,我们提出一种受基础模型启发的方法:一个在大规模合成数据上训练的监督模型,用于从汇总统计量(如经典因果发现算法在变量子集上运行的输出以及逆协方差等其他统计提示)预测因果图。我们的方法基于一个观察:发现算法输出中的典型错误在不同数据集之间保持可比性。理论上,我们证明该模型架构是良好设定的,即它可以恢复与子集上的图一致的因果图。实证上,我们使用多样化的数据集训练模型,使其对设定错误和分布偏移具有鲁棒性。在生物和合成数据上的实验证实,该模型能很好地泛化到训练集之外,可在数秒内处理包含数百个变量的图,并能轻松适应不同的底层数据假设。

英文摘要:

Causal discovery, the task of inferring causal structure from data, has the potential to uncover mechanistic insights from biological experiments, especially those involving perturbations. However, causal discovery algorithms over larger sets of variables tend to be brittle against misspecification or when data are limited. For example, single-cell transcriptomics measures thousands of genes, but the nature of their relationships is not known, and there may be as few as tens of cells per intervention setting. To mitigate these challenges, we propose a foundation model-inspired approach: a supervised model trained on large-scale, synthetic data to predict causal graphs from summary statistics -- like the outputs of classical causal discovery algorithms run over subsets of variables and other statistical hints like inverse covariance. Our approach is enabled by the observation that typical errors in the outputs of a discovery algorithm remain comparable across datasets. Theoretically, we show that the model architecture is well-specified, in the sense that it can recover a causal graph consistent with graphs over subsets. Empirically, we train the model to be robust to misspecification and distribution shift using diverse datasets. Experiments on biological and synthetic data confirm that this model generalizes well beyond its training set, runs on graphs with hundreds of variables in seconds, and can be easily adapted to different underlying data assumptions.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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