Dr. Watson type Artificial Intellect (AI) Systems

The article proposes a new type of AI system that does not give solutions directly but rather points toward it, friendly prompting the user with questions and adjusting messages. Models of AI human collaboration can be deduced from the classic literary example of interaction between Mr. Holmes and Dr. Watson from the stories by Conan Doyle, where the highly qualified expert Mr. Holmes answers questions posed by Dr. Watson. Here Mr. Holmes, with his rule-based calculations, logic, and memory management, apparently plays the role of an AI system, and Dr. Watson is the user. Looking into the same Holmes-Watson interaction, we find and promote another model in which the AI behaves like Dr. Watson, who, by asking questions and acting in a particular way, helps Holmes (the AI user) make the right decisions. We call the systems based on this principle "Dr. Watson-type systems." The article describes the properties of such systems and introduces two particular: Patient Management System for intensive care physicians and Data Error Prevention System.

Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models

Deep generative models such as generative adversarial networks, variational autoencoders, and autoregressive models are rapidly growing in popularity for the discovery of new molecules and materials. In this work, we introduce MOlecular SEtS (MOSES), a benchmarking platform to support research on machine learning for drug discovery. MOSES implements several popular molecular generation models and includes a set of metrics that evaluate the diversity and quality of generated molecules. MOSES is meant to standardize the research on the molecular generation and facilitate the sharing and comparison of new models. Additionally, we provide a large-scale comparison of existing state of the art models and elaborate on current challenges for generative models that might prove fertile ground for new research. Our platform and source code are freely available at https://github.com/molecularsets/