Jörn Lötsch1,2, Sebastian Malkusch1. 1. Institute of Clinical Pharmacology, Goethe - University, Frankfurt am Main, Germany. 2. Fraunhofer Institute for Translational Medicine and Pharmacology ITMP, Frankfurt am Main, Germany.
Abstract
BACKGROUND: In pain research and clinics, it is common practice to subgroup subjects according to shared pain characteristics. This is often achieved by computer-aided clustering. In response to a recent EU recommendation that computer-aided decision making should be transparent, we propose an approach that uses machine learning to provide (1) an understandable interpretation of a cluster structure to (2) enable a transparent decision process about why a person concerned is placed in a particular cluster. METHODS: Comprehensibility was achieved by transforming the interpretation problem into a classification problem: A sub-symbolic algorithm was used to estimate the importance of each pain measure for cluster assignment, followed by an item categorization technique to select the relevant variables. Subsequently, a symbolic algorithm as explainable artificial intelligence (XAI) provided understandable rules of cluster assignment. The approach was tested using 100-fold cross-validation. RESULTS: The importance of the variables of the data set (6 pain-related characteristics of 82 healthy subjects) changed with the clustering scenarios. The highest median accuracy was achieved by sub-symbolic classifiers. A generalized post-hoc interpretation of clustering strategies of the model led to a loss of median accuracy. XAI models were able to interpret the cluster structure almost as correctly, but with a slight loss of accuracy. CONCLUSIONS: Assessing the variables importance in clustering is important for understanding any cluster structure. XAI models are able to provide a human-understandable interpretation of the cluster structure. Model selection must be adapted individually to the clustering problem. The advantage of comprehensibility comes at an expense of accuracy.
BACKGROUND: In pain research and clinics, it is common practice to subgroup subjects according to shared pain characteristics. This is often achieved by computer-aided clustering. In response to a recent EU recommendation that computer-aided decision making should be transparent, we propose an approach that uses machine learning to provide (1) an understandable interpretation of a cluster structure to (2) enable a transparent decision process about why a person concerned is placed in a particular cluster. METHODS: Comprehensibility was achieved by transforming the interpretation problem into a classification problem: A sub-symbolic algorithm was used to estimate the importance of each pain measure for cluster assignment, followed by an item categorization technique to select the relevant variables. Subsequently, a symbolic algorithm as explainable artificial intelligence (XAI) provided understandable rules of cluster assignment. The approach was tested using 100-fold cross-validation. RESULTS: The importance of the variables of the data set (6 pain-related characteristics of 82 healthy subjects) changed with the clustering scenarios. The highest median accuracy was achieved by sub-symbolic classifiers. A generalized post-hoc interpretation of clustering strategies of the model led to a loss of median accuracy. XAI models were able to interpret the cluster structure almost as correctly, but with a slight loss of accuracy. CONCLUSIONS: Assessing the variables importance in clustering is important for understanding any cluster structure. XAI models are able to provide a human-understandable interpretation of the cluster structure. Model selection must be adapted individually to the clustering problem. The advantage of comprehensibility comes at an expense of accuracy.
Authors: Sebastian Malkusch; Johanna V Rahm; Marina S Dietz; Mike Heilemann; Jean-Baptiste Sibarita; Jörn Lötsch Journal: Mol Biol Cell Date: 2022-02-16 Impact factor: 3.612