Aleksandra Mojsilović

Vijay Arya, Rachel K. E. Bellamy, Pin-Yu Chen et al.

As artificial intelligence and machine learning algorithms make further inroads into society, calls are increasing from multiple stakeholders for these algorithms to explain their outputs. At the same time, these stakeholders, whether they be affected citizens, government regulators, domain experts, or system developers, present different requirements for explanations. Toward addressing these needs, we introduce AI Explainability 360 (http://aix360.mybluemix.net/), an open-source software toolkit featuring eight diverse and state-of-the-art explainability methods and two evaluation metrics. Equally important, we provide a taxonomy to help entities requiring explanations to navigate the space of explanation methods, not only those in the toolkit but also in the broader literature on explainability. For data scientists and other users of the toolkit, we have implemented an extensible software architecture that organizes methods according to their place in the AI modeling pipeline. We also discuss enhancements to bring research innovations closer to consumers of explanations, ranging from simplified, more accessible versions of algorithms, to tutorials and an interactive web demo to introduce AI explainability to different audiences and application domains. Together, our toolkit and taxonomy can help identify gaps where more explainability methods are needed and provide a platform to incorporate them as they are developed.

Rachel K. E. Bellamy, Kuntal Dey, Michael Hind et al.

Fairness is an increasingly important concern as machine learning models are used to support decision making in high-stakes applications such as mortgage lending, hiring, and prison sentencing. This paper introduces a new open source Python toolkit for algorithmic fairness, AI Fairness 360 (AIF360), released under an Apache v2.0 license {https://github.com/ibm/aif360). The main objectives of this toolkit are to help facilitate the transition of fairness research algorithms to use in an industrial setting and to provide a common framework for fairness researchers to share and evaluate algorithms. The package includes a comprehensive set of fairness metrics for datasets and models, explanations for these metrics, and algorithms to mitigate bias in datasets and models. It also includes an interactive Web experience (https://aif360.mybluemix.net) that provides a gentle introduction to the concepts and capabilities for line-of-business users, as well as extensive documentation, usage guidance, and industry-specific tutorials to enable data scientists and practitioners to incorporate the most appropriate tool for their problem into their work products. The architecture of the package has been engineered to conform to a standard paradigm used in data science, thereby further improving usability for practitioners. Such architectural design and abstractions enable researchers and developers to extend the toolkit with their new algorithms and improvements, and to use it for performance benchmarking. A built-in testing infrastructure maintains code quality.

Swapnaja Achintalwar, Ioana Baldini, Djallel Bouneffouf et al. · ibm-research

The alignment of large language models is usually done by model providers to add or control behaviors that are common or universally understood across use cases and contexts. In contrast, in this article, we present an approach and architecture that empowers application developers to tune a model to their particular values, social norms, laws and other regulations, and orchestrate between potentially conflicting requirements in context. We lay out three main components of such an Alignment Studio architecture: Framers, Instructors, and Auditors that work in concert to control the behavior of a language model. We illustrate this approach with a running example of aligning a company's internal-facing enterprise chatbot to its business conduct guidelines.

John Richards, David Piorkowski, Michael Hind et al.

As AI models and services are used in a growing number of highstakes areas, a consensus is forming around the need for a clearer record of how these models and services are developed to increase trust. Several proposals for higher quality and more consistent AI documentation have emerged to address ethical and legal concerns and general social impacts of such systems. However, there is little published work on how to create this documentation. This is the first work to describe a methodology for creating the form of AI documentation we call FactSheets. We have used this methodology to create useful FactSheets for nearly two dozen models. This paper describes this methodology and shares the insights we have gathered. Within each step of the methodology, we describe the issues to consider and the questions to explore with the relevant people in an organization who will be creating and consuming the AI facts in a FactSheet. This methodology will accelerate the broader adoption of transparent AI documentation.

Stacy Hobson, Michael Hind, Aleksandra Mojsilovic et al.

The global outbreak of COVID-19 has led to focus on efforts to manage and mitigate the continued spread of the disease. One of these efforts include the use of contact tracing to identify people who are at-risk of developing the disease through exposure to an infected person. Historically, contact tracing has been primarily manual but given the exponential spread of the virus that causes COVID-19, there has been significant interest in the development and use of digital contact tracing solutions to supplement the work of human contact tracers. The collection and use of sensitive personal details by these applications has led to a number of concerns by the stakeholder groups with a vested interest in these solutions. We explore digital contact tracing solutions in detail and propose the use of a transparent reporting mechanism, FactSheets, to provide transparency of and support trust in these applications. We also provide an example FactSheet template with questions that are specific to the contact tracing application domain.

Vijil Chenthamarakshan, Payel Das, Samuel C. Hoffman et al.

The novel nature of SARS-CoV-2 calls for the development of efficient de novo drug design approaches. In this study, we propose an end-to-end framework, named CogMol (Controlled Generation of Molecules), for designing new drug-like small molecules targeting novel viral proteins with high affinity and off-target selectivity. CogMol combines adaptive pre-training of a molecular SMILES Variational Autoencoder (VAE) and an efficient multi-attribute controlled sampling scheme that uses guidance from attribute predictors trained on latent features. To generate novel and optimal drug-like molecules for unseen viral targets, CogMol leverages a protein-molecule binding affinity predictor that is trained using SMILES VAE embeddings and protein sequence embeddings learned unsupervised from a large corpus. CogMol framework is applied to three SARS-CoV-2 target proteins: main protease, receptor-binding domain of the spike protein, and non-structural protein 9 replicase. The generated candidates are novel at both molecular and chemical scaffold levels when compared to the training data. CogMol also includes insilico screening for assessing toxicity of parent molecules and their metabolites with a multi-task toxicity classifier, synthetic feasibility with a chemical retrosynthesis predictor, and target structure binding with docking simulations. Docking reveals favorable binding of generated molecules to the target protein structure, where 87-95 % of high affinity molecules showed docking free energy < -6 kcal/mol. When compared to approved drugs, the majority of designed compounds show low parent molecule and metabolite toxicity and high synthetic feasibility. In summary, CogMol handles multi-constraint design of synthesizable, low-toxic, drug-like molecules with high target specificity and selectivity, and does not need target-dependent fine-tuning of the framework or target structure information.

Michael Hind, Stephanie Houde, Jacquelyn Martino et al.

AI models and services are used in a growing number of highstakes areas, resulting in a need for increased transparency. Consistent with this, several proposals for higher quality and more consistent documentation of AI data, models, and systems have emerged. Little is known, however, about the needs of those who would produce or consume these new forms of documentation. Through semi-structured developer interviews, and two document creation exercises, we have assembled a clearer picture of these needs and the various challenges faced in creating accurate and useful AI documentation. Based on the observations from this work, supplemented by feedback received during multiple design explorations and stakeholder conversations, we make recommendations for easing the collection and flexible presentation of AI facts to promote transparency.

Noel C. F. Codella, Michael Hind, Karthikeyan Natesan Ramamurthy et al.

Using machine learning in high-stakes applications often requires predictions to be accompanied by explanations comprehensible to the domain user, who has ultimate responsibility for decisions and outcomes. Recently, a new framework for providing explanations, called TED, has been proposed to provide meaningful explanations for predictions. This framework augments training data to include explanations elicited from domain users, in addition to features and labels. This approach ensures that explanations for predictions are tailored to the complexity expectations and domain knowledge of the consumer. In this paper, we build on this foundational work, by exploring more sophisticated instantiations of the TED framework and empirically evaluate their effectiveness in two diverse domains, chemical odor and skin cancer prediction. Results demonstrate that meaningful explanations can be reliably taught to machine learning algorithms, and in some cases, improving modeling accuracy.

Vidya Muthukumar, Tejaswini Pedapati, Nalini Ratha et al.

Recent work shows unequal performance of commercial face classification services in the gender classification task across intersectional groups defined by skin type and gender. Accuracy on dark-skinned females is significantly worse than on any other group. In this paper, we conduct several analyses to try to uncover the reason for this gap. The main finding, perhaps surprisingly, is that skin type is not the driver. This conclusion is reached via stability experiments that vary an image's skin type via color-theoretic methods, namely luminance mode-shift and optimal transport. A second suspect, hair length, is also shown not to be the driver via experiments on face images cropped to exclude the hair. Finally, using contrastive post-hoc explanation techniques for neural networks, we bring forth evidence suggesting that differences in lip, eye and cheek structure across ethnicity lead to the differences. Further, lip and eye makeup are seen as strong predictors for a female face, which is a troubling propagation of a gender stereotype.

Michael Hind, Dennis Wei, Murray Campbell et al.

Artificial intelligence systems are being increasingly deployed due to their potential to increase the efficiency, scale, consistency, fairness, and accuracy of decisions. However, as many of these systems are opaque in their operation, there is a growing demand for such systems to provide explanations for their decisions. Conventional approaches to this problem attempt to expose or discover the inner workings of a machine learning model with the hope that the resulting explanations will be meaningful to the consumer. In contrast, this paper suggests a new approach to this problem. It introduces a simple, practical framework, called Teaching Explanations for Decisions (TED), that provides meaningful explanations that match the mental model of the consumer. We illustrate the generality and effectiveness of this approach with two different examples, resulting in highly accurate explanations with no loss of prediction accuracy for these two examples.

Evan Patterson, Ioana Baldini, Aleksandra Mojsilovic et al.

Your computer is continuously executing programs, but does it really understand them? Not in any meaningful sense. That burden falls upon human knowledge workers, who are increasingly asked to write and understand code. They deserve to have intelligent tools that reveal the connections between code and its subject matter. Towards this prospect, we develop an AI system that forms semantic representations of computer programs, using techniques from knowledge representation and program analysis. To create the representations, we introduce an algorithm for enriching dataflow graphs with semantic information. The semantic enrichment algorithm is undergirded by a new ontology language for modeling computer programs and a new ontology about data science, written in this language. Throughout the paper, we focus on code written by data scientists and we locate our work within a larger movement towards collaborative, open, and reproducible science.

Noel C. F. Codella, Michael Hind, Karthikeyan Natesan Ramamurthy et al.

The adoption of machine learning in high-stakes applications such as healthcare and law has lagged in part because predictions are not accompanied by explanations comprehensible to the domain user, who often holds the ultimate responsibility for decisions and outcomes. In this paper, we propose an approach to generate such explanations in which training data is augmented to include, in addition to features and labels, explanations elicited from domain users. A joint model is then learned to produce both labels and explanations from the input features. This simple idea ensures that explanations are tailored to the complexity expectations and domain knowledge of the consumer. Evaluation spans multiple modeling techniques on a game dataset, a (visual) aesthetics dataset, a chemical odor dataset and a Melanoma dataset showing that our approach is generalizable across domains and algorithms. Results demonstrate that meaningful explanations can be reliably taught to machine learning algorithms, and in some cases, also improve modeling accuracy.

Prasanna Sattigeri, Aurélie Lozano, Aleksandra Mojsilović et al.

Innovation is among the key factors driving a country's economic and social growth. But what are the factors that make a country innovative? How do they differ across different parts of the world and different stages of development? In this work done in collaboration with the World Economic Forum (WEF), we analyze the scores obtained through executive opinion surveys that constitute the WEF's Global Competitiveness Index in conjunction with other country-level metrics and indicators to identify actionable levers of innovation. The findings can help country leaders and organizations shape the policies to drive developmental activities and increase the capacity of innovation.