Active learning - the field of machine learning (ML) dedicated to optimal experiment design, has played a part in science as far back as the 18th century when Laplace used it to guide his discovery of celestial mechanics [1]. In this work we focus a closed-loop, active learning-driven autonomous system on another major challenge, the discovery of advanced materials against the exceedingly complex synthesis-processes-structure-property landscape. We demonstrate autonomous research methodology (i.e. autonomous hypothesis definition and evaluation) that can place complex, advanced materials in reach, allowing scientists to fail smarter, learn faster, and spend less resources in their studies, while simultaneously improving trust in scientific results and machine learning tools. Additionally, this robot science enables science-over-the-network, reducing the economic impact of scientists being physically separated from their labs. We used the real-time closed-loop, autonomous system for materials exploration and optimization (CAMEO) at the synchrotron beamline to accelerate the fundamentally interconnected tasks of rapid phase mapping and property optimization, with each cycle taking seconds to minutes, resulting in the discovery of a novel epitaxial nanocomposite phase-change memory material.

Many recent advances in neural information retrieval models, which predict top-K items given a query, learn directly from a large training set of (query, item) pairs. However, they are often insufficient when there are many previously unseen (query, item) combinations, often referred to as the cold start problem. Furthermore, the search system can be biased towards items that are frequently shown to a query previously, also known as the 'rich get richer' (a.k.a. feedback loop) problem. In light of these problems, we observed that most online content platforms have both a search and a recommender system that, while having heterogeneous input spaces, can be connected through their common output item space and a shared semantic representation. In this paper, we propose a new Zero-Shot Heterogeneous Transfer Learning framework that transfers learned knowledge from the recommender system component to improve the search component of a content platform. First, it learns representations of items and their natural-language features by predicting (item, item) correlation graphs derived from the recommender system as an auxiliary task. Then, the learned representations are transferred to solve the target search retrieval task, performing query-to-item prediction without having seen any (query, item) pairs in training. We conduct online and offline experiments on one of the world's largest search and recommender systems from Google, and present the results and lessons learned. We demonstrate that the proposed approach can achieve high performance on offline search retrieval tasks, and more importantly, achieved significant improvements on relevance and user interactions over the highly-optimized production system in online experiments.

Recommender systems have become ubiquitous, transforming user interactions with products, services and content in a wide variety of domains. In content recommendation, recommenders generally surface relevant and/or novel personalized content based on learned models of user preferences (e.g., as in collaborative filtering [Breese et al., 1998, Konstan et al., 1997, Srebro et al., 2004, Salakhutdinov and Mnih, 2007]) or predictive models of user responses to specific recommendations. Well-known applications of recommender systems include video recommendations on YouTube [Covington et al., 2016], movie recommendations on Netflix [Gomez-Uribe and Hunt, 2016] and playlist construction on Spotify [Jacobson et al., 2016]. It is increasingly common to train deep neural networks (DNNs) [van den Oord et al., 2013, Wang et al., 2015, Covington et al., 2016, Cheng et al., 2016] to predict user responses (e.g., click-through rates, content engagement, ratings, likes) to generate, score and serve candidate recommendations. Practical recommender systems largely focus on myopic prediction--estimating a user's immediate response to a recommendation--without considering the long-term impact on subsequent user behavior. This can be limiting: modeling a recommendation's stochastic impact on the future affords opportunities to trade off user engagement in the near-term for longer-term benefit (e.g., by probing a user's interests, or improving satisfaction).