In the last years, Artificial Intelligence (AI) has achieved a notable momentum that may deliver the best of expectations over many application sectors across the field. For this to occur, the entire community stands in front of the barrier of explainability, an inherent problem of AI techniques brought by sub-symbolism (e.g. ensembles or Deep Neural Networks) that were not present in the last hype of AI. Paradigms underlying this problem fall within the so-called eXplainable AI (XAI) field, which is acknowledged as a crucial feature for the practical deployment of AI models. This overview examines the existing literature in the field of XAI, including a prospect toward what is yet to be reached. We summarize previous efforts to define explainability in Machine Learning, establishing a novel definition that covers prior conceptual propositions with a major focus on the audience for which explainability is sought. We then propose and discuss about a taxonomy of recent contributions related to the explainability of different Machine Learning models, including those aimed at Deep Learning methods for which a second taxonomy is built. This literature analysis serves as the background for a series of challenges faced by XAI, such as the crossroads between data fusion and explainability. Our prospects lead toward the concept of Responsible Artificial Intelligence, namely, a methodology for the large-scale implementation of AI methods in real organizations with fairness, model explainability and accountability at its core. Our ultimate goal is to provide newcomers to XAI with a reference material in order to stimulate future research advances, but also to encourage experts and professionals from other disciplines to embrace the benefits of AI in their activity sectors, without any prior bias for its lack of interpretability.

Explainable Artificial Intelligence (XAI): Concepts, Taxonomies, Opportunities and Challenges toward Responsible AI.

Explainable Artificial Intelligence (XAI): Concepts, Taxonomies, Opportunities and Challenges toward Responsible AI

The role of explainability in creating trustworthy artificial intelligence for health care: A comprehensive survey of the terminology, design choices, and evaluation strategies

concert are a panacea against bias and each brings its own set of pitfalls. What is missing from current remedies is guidance from a broader SOCIO - TECHNICAL perspective that connects these practices to societal values. Experts in the area of Trustworthy and Responsible AI counsel that to successfully manage the risks of AI bias we must operationalize these values and create new norms around how AI is built and deployed. This document, and work by the National Institute of Standards and Technology (NIST) in the area of AI bias, is based on a socio-technical perspective.

Towards a Standard for Identifying and Managing Bias in Artificial Intelligence

The past decade has seen significant progress in artificial intelligence (AI), which has resulted in algorithms being adopted for resolving a variety of problems. However, this success has been met by increasing model complexity and employing black-box AI models that lack transparency. In response to this need, Explainable AI (XAI) has been proposed to make AI more transparent and thus advance the adoption of AI in critical domains. Although there are several reviews of XAI topics in the literature that have identified challenges and potential research directions of XAI, these challenges and research directions are scattered. This study, hence, presents a systematic meta-survey of challenges and future research directions in XAI organized in two themes: (1) general challenges and research directions of XAI and (2) challenges and research directions of XAI based on machine learning life cycle’s phases: design, development, and deployment. We believe that our meta-survey contributes to XAI literature by providing a guide for future exploration in the XAI area. 

Explainable AI (XAI): A systematic meta-survey of current challenges and future opportunities

We screened a library of 117 bisphosphonates for antibacterial activity against Escherichia coli. The most potent growth inhibitors where the N-[methyl(4-phenylalkyl)]-3-aminopropyl-1-hydroxy-1,1-bisphosphonates, known potent bone resorption inhibitors, and there was a generally good correlation between cell growth inhibition and E. coli farnesyl diphosphate synthase (FPPS) inhibition. However, some potent FPPS inhibitors had no activity in cell growth inhibition, and based on the result of Catalyst pharmacophore modeling, this could be attributed to the requirement of a large hydrophobic feature for cellular activity (due most likely to transport). The activity of the most potent compound, N-[methyl(4-phenylbutyl)]-3-aminopropyl-1-hydroxy-1,1-bisphosphonate (13), was strongly potentiated by the drug fosmidomycin. The transcription profiles for 13 or fosmidomycin alone were different from those found with carbenicillin or ciprofloxacin alone, but there were many similarities between the combination (13−fo...

Isoprenoid Biosynthesis as a Drug Target: Bisphosphonate Inhibition of Escherichia coli K12 Growth and Synergistic Effects of Fosmidomycin

Explainable machine learning (ML) enables human learning from ML, human appeal of automated model decisions, regulatory compliance, and security audits of ML models. Explainable ML (i.e. explainable artificial intelligence or XAI) has been implemented in numerous open source and commercial packages and explainable ML is also an important, mandatory, or embedded aspect of commercial predictive modeling in industries like financial services. However, like many technologies, explainable ML can be misused, particularly as a faulty safeguard for harmful black-boxes, e.g. fairwashing or scaffolding, and for other malevolent purposes like stealing models and sensitive training data. To promote best-practice discussions for this already in-flight technology, this short text presents internal definitions and a few examples before covering the proposed guidelines. This text concludes with a seemingly natural argument for the use of interpretable models and explanatory, debugging, and disparate impact testing methods in life- or mission-critical ML systems.

Proposed Guidelines for the Responsible Use of Explainable Machine Learning

A computing device to automatically cluster a dataset is provided. Data that includes a plurality of observations with a plurality of data points defined for each observation is received. Each data point of the plurality of data points is associated with a variable to define a plurality of variables. A number of clusters into which to segment the received data is repeatedly selected by repeatedly executing a clustering algorithm with the received data. A plurality of sets of clusters is defined based on the repeated execution of the clustering algorithm that resulted in the selected number of clusters. A plurality of composite clusters is defined based on the defined plurality of sets of clusters. The plurality of observations is assigned to the defined plurality of composite clusters using the plurality of data points defined for each observation.

Computerized cluster analysis framework for decorrelated cluster identification in datasets

The black-box Correctional Offender Management Profiling for Alternative Sanctions (COMPAS) criminal risk assessment instrument (RAI) is analyzed for confounding racial bias and a novel procedure is proposed for remediating bias from individual criminal risk predictions. A repeatable global versus local analysis motif is introduced in which global and local model behavior are compared to debug and diagnose unwanted bias in a black-box prediction system using tools such as surrogate models, gradient boosting machine feature importance, leave-onecovariate-out (LOCO) feature importance, partial dependence plots, and individual conditional expectation (ICE) plots. LOCO-derived feature importance is also used to remove prediction contributions from bias-inducing input features. The proposed global versus local approach and remediation strategy can be applied to many blackbox and machine learning (ML) decision-making systems.

/pdf/debugging-the-black-box-compas-risk-assessment-instrument-to-1v3meam8lw.pdf

Debugging the Black-Box COMPAS Risk Assessment Instrument to Diagnose and Remediate Bias

A computing device presents a cluster visualization based on a neural network computation. First centroid locations are computed for first clusters. Second centroid locations are computed for second clusters. Each centroid location includes a plurality of coordinate values where each coordinate value relates to a single variable of a plurality of variables. Distances are computed pairwise between each centroid location. An optimum pairing is selected based on a minimum distance of the computed pairwise distances where each pair is associated with a different cluster of a set of composite clusters. Noised centroid location data is created. A multi-layer neural network is trained with the noised centroid location data. A projected centroid location is determined in a multidimensional space for each centroid location as values of hidden units of a middle layer of the multi-layer neural network. A graph is presented for display that indicates the determined, projected centroid locations.

Neural network based cluster visualization

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