Explaining machine learning models is an important and increasingly popular area of research interest. The Shapley value from game theory has been proposed as a prime approach to compute feature importance towards model predictions on images, text, tabular data, and recently graph neural networks (GNNs) on graphs. In this work, we revisit the appropriateness of the Shapley value for GNN explanation, where the task is to identify the most important subgraph and constituent nodes for GNN predictions. We claim that the Shapley value is a non-ideal choice for graph data because it is by definition not structure-aware. We propose a Graph Structure-aware eXplanation (GStarX) method to leverage the critical graph structure information to improve the explanation. Specifically, we define a scoring function based on a new structure-aware value from the cooperative game theory proposed by Hamiache and Navarro (HN). When used to score node importance, the HN value utilizes graph structures to attribute cooperation surplus between neighbor nodes, resembling message passing in GNNs, so that node importance scores reflect not only the node feature importance, but also the node structural roles. We demonstrate that GStarX produces qualitatively more intuitive explanations, and quantitatively improves explanation fidelity over strong baselines on chemical graph property prediction and text graph sentiment classification.
Université Paris-Saclay（巴黎萨克雷大学）；Ubisoft（育碧）；University of Granada（格拉纳达大学）
While Explainable Artificial Intelligence (XAI) is increasingly expanding more areas of application, little has been applied to make deep Reinforcement Learning (RL) more comprehensible. As RL becomes ubiquitous and used in critical and general public applications, it is essential to develop methods that make it better understood and more interpretable. This study proposes a novel approach to explain cooperative strategies in multiagent RL using Shapley values, a game theory concept used in XAI that successfully explains the rationale behind decisions taken by Machine Learning algorithms. Thro…
ETH Zurich（苏黎世联邦理工学院）；Disney Research Zurich（苏黎世迪士尼研究中心）
The problem of explaining the behavior of deep neural networks has recently gained a lot of attention. While several attribution methods have been proposed, most come without strong theoretical foundations, which raises questions about their reliability. On the other hand, the literature on cooperative game theory suggests Shapley values as a unique way of assigning relevance scores such that certain desirable properties are satisfied. Unfortunately, the exact evaluation of Shapley values is prohibitively expensive, exponential in the number of input features. In this work, by leveraging recen…
FlowX: Towards Explainable Graph Neural Networks via Message Flows
Texas A&M University（德克萨斯A&M大学）；University of Science and Technology of China（中国科学技术大学）；Beijing University of Posts and Telecommunications（北京邮电大学）；West China Hospital（四川大学华西医院）
We introduce a variable importance measure to quantify the impact of individual input variables to a black box function. Our measure is based on the Shapley value from cooperative game theory. Many measures of variable importance operate by changing some predictor values with others held fixed, potentially creating unlikely or even logically impossible combinations. Our cohort Shapley measure uses only observed data points. Instead of changing the value of a predictor we include or exclude subjects similar to the target subject on that predictor to form a similarity cohort. Then we apply Shapl…
A number of techniques have been proposed to explain a machine learning model's prediction by attributing it to the corresponding input features. Popular among these are techniques that apply the Shapley value method from cooperative game theory. While existing papers focus on the axiomatic motivation of Shapley values, and efficient techniques for computing them, they offer little justification for the game formulations used, and do not address the uncertainty implicit in their methods' outputs. For instance, the popular SHAP algorithm's formulation may give substantial attributions to featur…
University of Washington（华盛顿大学）；Microsoft Research（微软研究院）；Microsoft Corporation（微软公司）
Researchers have proposed a wide variety of model explanation approaches, but it remains unclear how most methods are related or when one method is preferable to another. We describe a new unified class of methods, removal-based explanations, that are based on the principle of simulating feature removal to quantify each feature's influence. These methods vary in several respects, so we develop a framework that characterizes each method along three dimensions: 1) how the method removes features, 2) what model behavior the method explains, and 3) how the method summarizes each feature's influenc…
Additive feature explanations using Shapley values have become popular for providing transparency into the relative importance of each feature to an individual prediction of a machine learning model. While Shapley values provide a unique additive feature attribution in cooperative game theory, the Shapley values that can be generated for even a single machine learning model are far from unique, with theoretical and implementational decisions affecting the resulting attributions. Here, we consider the application of Shapley values for explaining decision tree ensembles and present a novel appro…
Auburn University（奥本大学）；DESY（德国电子同步加速器研究所）；Humboldt-Universität zu Berlin（柏林洪堡大学）；BASIS Independent Silicon Valley（贝赛思独立学校硅谷校区）；Stanford Online High School（斯坦福在线高中）；NTNU（挪威科技大学）；SimulaMet（SimulaMet研究所）
The analysis of causation is a challenging task that can be approached in various ways. With the increasing use of machine learning based models in computational socioeconomics, explaining these models while taking causal connections into account is a necessity. In this work, we advocate the use of an explanatory framework from cooperative game theory augmented with $do$ calculus, namely causal Shapley values. Using causal Shapley values, we analyze socioeconomic disparities that have a causal link to the spread of COVID-19 in the USA. We study several phases of the disease spread to show how …
Machine Learning and Control: Foundations, Advances, and Perspectives
Chair for Dynamics, Control, Machine Learning, and Numerics, Alexander von Humboldt-Professorship, Department of Mathematics, Friedrich-Alexander-Universität Erlangen-Nürnberg（动力学、控制、机器学习和数值学主席，亚历山大·冯·洪堡教授职位，数学系，弗里德里希-亚历山大-大学埃尔兰根-纽伦堡）；Departamento de Matemáticas, Universidad Autónoma de Madrid（数学系，马德里自治大学）；Chair of Computational Mathematics, Deusto University（计算数学教授，德图斯大学）
