Event-driven Temporal Models for Explanations - ETeMoX: Explaining Reinforcement Learning

Modern software systems are increasingly expected to show higher degrees of autonomy and self-management to cope with uncertain and diverse situations. As a consequence, autonomous systems can exhibit unexpected and surprising behaviours. This is exacerbated due to the ubiquity and complexity of Artificial Intelligence (AI)-based systems. This is the case of Reinforcement Learning (RL), where autonomous agents learn through trial-and-error how to find good solutions to a problem. Thus, the underlying decision-making criteria may become opaque to users that interact with the system and who may require explanations about the system’s reasoning. Available work for eXplainable Reinforcement Learning (XRL) offers different trade-offs: e.g. for runtime explanations, the approaches are model-specific or can only analyse results after-the-fact. Different from these approaches, this paper aims to provide an online model-agnostic approach for XRL towards trustworthy and understandable AI. We present ETeMoX, an architecture based on temporal models to keep track of the decision-making processes of RL systems. In cases where the resources are limited (e.g. storage capacity or time to response), the architecture also integrates complex event processing, an event-driven approach, for detecting matches to event patterns that need to be stored, instead of keeping the entire history. The approach is applied to a mobile communications case study that uses RL for its decision-making. In order to test the generalisability of our approach, three variants of the underlying RL algorithms are used: Q-Learning, SARSA and DQN. The encouraging results show that using the proposed configurable architecture, RL developers are able to obtain explanations about the evolution of a metric, relationships between metrics, and were able to track situations of interest happening over time windows

Recent advances in CE analysis of antibiotics and its use as chiral selectors

Antibiotics are a class of therapeutic molecules widely employed in both human and veterinary medicine. This article reviews the most recent advances in the analysis of antibiotics by CE in pharmaceutical, environmental, food, and biomedical fields. Emphasis is placed on the strategies to increase sensitivity as diverse off-line, in-line, and on-line preconcentration approaches and the use of different detection systems. The use of CE in the microchip format for the analysis of antibiotics is also reviewed in this article. Moreover, since the use of antibiotics as chiral selectors in CE has grown in the last years, a new section devoted to this aspect has been included. This review constitutes an update of previous published reviews and covers the literature published from June 2011 until June 2013

MIBiG 3.0: a community-driven effort to annotate experimentally validated biosynthetic gene clusters

With an ever-increasing amount of (meta)genomic data being deposited in sequence databases,(meta)genome mining for natural product biosynthetic pathways occupies a critical role in the discovery of novel pharmaceutical drugs, crop protection agents and biomaterials. The genes that encode these pathways are often organised into biosynthetic gene clusters (BGCs). In 2015, we defined the Minimum Information about a Biosynthetic Gene cluster (MIBiG): a standardised data format that describes the minimally required information to uniquely characterise a BGC. We simultaneously constructed an accompanying online database of BGCs, which has since been widely used by the community as a reference dataset for BGCs and was expanded to 2021 entries in 2019 (MIBiG 2.0). Here, we describe MIBiG 3.0, a database update comprising large-scale validation and re-annotation of existing entries and 661 new entries. Particular attention was paid to the annotation of compound structures and biological activities, as well as protein domain selectivities. Together, these new features keep the database upto-date, and will provide new opportunities for the scientific community to use its freely available data, e.g. for the training of new machine learning models to predict sequence-structure-function relationships for diverse natural products. MIBiG 3.0 is accessible online at https://mibig.secondarymetabolites.org

High-performance capillary electrophoresis for food quality evaluation

This chapter offered a comprehensive overview of both principles and applications of HPCE techniques. CE represents a powerful analytical tool that is widely applied in food quality and safety, and is also a novel interesting approach in foodomics. Starting with a brief introduction on its evolution from gel electrophoresis to microchip-CE devices, basic principles, detailed general procedures, and detection systems were described. Different CE separation modes were also summarized to show the wide range of applications of this technique in food analysis. Advantages and limitations of each CE mode and new technical improvements were also reported. After the general section, recent application progress in different types of foods were considered. In the first part, applications were divided into solid and liquid foods (vegetable and animal origin) and other foods (honey, food supplements, and baby foods). In the second part, the analysis of certain food additives and contaminants was discussed. The last section of this chapter introduced foodomics applications. The chapter provided the most up-to-date information of the last decade in food quality and safety evaluation by CE