Reliable Estimation of Causal Effects Using Predictive Models

IF 17.7 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2024-04-25 DOI:10.1142/s0218213024600066
Mahdi Hadj Ali, Yann Le Biannic, Pierre-Henri Wuillemin
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Abstract

In recent years, machine learning algorithms have been widely adopted across many fields due to their efficiency and versatility. However, the complexity of predictive models has led to a lack of interpretability in automatic decision-making. Recent works have improved general interpretability by estimating the contributions of input features to the predictions of a pre-trained model. Drawing on these improvements, practitioners seek to gain causal insights into the underlying data-generating mechanisms. To this end, works have attempted to integrate causal knowledge into interpretability, as non-causal techniques can lead to paradoxical explanations. In this paper, we argue that each question about a causal effect requires its own reasoning and that relying on an initial predictive model trained on an arbitrary set of variables may result in quantification problems when estimating all possible effects. As an alternative, we advocate for a query-driven methodology that addresses each causal question separately. Assuming that the causal structure relating the variables is known, we propose to employ the tools of causal inference to quantify a particular effect as a formula involving observable probabilities. We then derive conditions on the selection of variables to train a predictive model that is tailored for the causal question of interest. Finally, we identify suitable eXplainable AI (XAI) techniques to estimate causal effects from the model predictions. Furthermore, we introduce a novel method for estimating direct effects through intervention on causal mechanisms.
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利用预测模型可靠地估计因果效应
近年来,机器学习算法凭借其高效性和多功能性在许多领域得到广泛应用。然而,预测模型的复杂性导致自动决策缺乏可解释性。最近的研究通过估算输入特征对预训练模型预测的贡献,提高了一般可解释性。在这些改进的基础上,实践者们试图深入了解底层数据生成机制的因果关系。为此,有学者尝试将因果知识融入可解释性中,因为非因果技术可能导致自相矛盾的解释。在本文中,我们认为每个关于因果效应的问题都需要自己的推理,依赖于在任意变量集上训练的初始预测模型可能会在估计所有可能的效应时导致量化问题。作为替代方案,我们主张采用查询驱动的方法,分别解决每个因果问题。假设变量之间的因果结构是已知的,我们建议使用因果推理工具将特定效应量化为一个涉及可观测概率的公式。然后,我们推导出选择变量的条件,以训练一个针对相关因果问题的预测模型。最后,我们确定了合适的可解释人工智能(XAI)技术,以便从模型预测中估计因果效应。此外,我们还介绍了一种通过干预因果机制来估算直接影响的新方法。
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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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