Collaborating Authors


Apocalypse now? What quantum computing can learn from AI


A few years ago, many people imagined a world run by robots. The promises and challenges associated with artificial intelligence (AI) were widely discussed as this technology moved out of the labs and into the mainstream. Many of these predictions seemed contradictory. Robots were mooted to steal our jobs, but also create millions of new ones. As more applications were rolled out, AI hit the headlines for all the right (and wrong) reasons, promising everything from revolutionizing the healthcare sector to making light of the weight of data now created in our digitized world.

Challenges in Benchmarking Stream Learning Algorithms with Real-world Data Machine Learning

Streaming data are increasingly present in real-world applications such as sensor measurements, satellite data feed, stock market, and financial data. The main characteristics of these applications are the online arrival of data observations at high speed and the susceptibility to changes in the data distributions due to the dynamic nature of real environments. The data stream mining community still faces some primary challenges and difficulties related to the comparison and evaluation of new proposals, mainly due to the lack of publicly available non-stationary real-world datasets. The comparison of stream algorithms proposed in the literature is not an easy task, as authors do not always follow the same recommendations, experimental evaluation procedures, datasets, and assumptions. In this paper, we mitigate problems related to the choice of datasets in the experimental evaluation of stream classifiers and drift detectors. To that end, we propose a new public data repository for benchmarking stream algorithms with real-world data. This repository contains the most popular datasets from literature and new datasets related to a highly relevant public health problem that involves the recognition of disease vector insects using optical sensors. The main advantage of these new datasets is the prior knowledge of their characteristics and patterns of changes to evaluate new adaptive algorithm proposals adequately. We also present an in-depth discussion about the characteristics, reasons, and issues that lead to different types of changes in data distribution, as well as a critical review of common problems concerning the current benchmark datasets available in the literature.

Autonomous discovery in the chemical sciences part I: Progress Artificial Intelligence

This two-part review examines how automation has contributed to different aspects of discovery in the chemical sciences. In this first part, we describe a classification for discoveries of physical matter (molecules, materials, devices), processes, and models and how they are unified as search problems. We then introduce a set of questions and considerations relevant to assessing the extent of autonomy. Finally, we describe many case studies of discoveries accelerated by or resulting from computer assistance and automation from the domains of synthetic chemistry, drug discovery, inorganic chemistry, and materials science. These illustrate how rapid advancements in hardware automation and machine learning continue to transform the nature of experimentation and modelling. Part two reflects on these case studies and identifies a set of open challenges for the field.

Tackling Climate Change with Machine Learning Artificial Intelligence

Climate change is one of the greatest challenges facing humanity, and we, as machine learning experts, may wonder how we can help. Here we describe how machine learning can be a powerful tool in reducing greenhouse gas emissions and helping society adapt to a changing climate. From smart grids to disaster management, we identify high impact problems where existing gaps can be filled by machine learning, in collaboration with other fields. Our recommendations encompass exciting research questions as well as promising business opportunities. We call on the machine learning community to join the global effort against climate change.

Exploration of Self-Propelling Droplets Using a Curiosity Driven Robotic Assistant Artificial Intelligence

We describe a chemical robotic assistant equipped with a curiosity algorithm (CA) that can efficiently explore the state a complex chemical system can exhibit. The CA-robot is designed to explore formulations in an open-ended way with no explicit optimization target. By applying the CA-robot to the study of self-propelling multicomponent oil-in-water droplets, we are able to observe an order of magnitude more variety of droplet behaviours than possible with a random parameter search and given the same budget. We demonstrate that the CA-robot enabled the discovery of a sudden and highly specific response of droplets to slight temperature changes. Six modes of self-propelled droplets motion were identified and classified using a time-temperature phase diagram and probed using a variety of techniques including NMR. This work illustrates how target free search can significantly increase the rate of unpredictable observations leading to new discoveries with potential applications in formulation chemistry.