Artificial intelligence (AI) has been transforming the practice of drug discovery in the past decade. Various AI techniques have been used in a wide range of applications, such as virtual screening and drug design. In this perspective, we first give an overview on drug discovery and discuss related applications, which can be reduced to two major tasks, i.e., molecular property prediction and molecule generation. We then discuss common data resources, molecule representations and benchmark platforms. Furthermore, to summarize the progress in AI-driven drug discovery, we present the relevant AI techniques including model architectures and learning paradigms in the surveyed papers. We expect that the perspective will serve as a guide for researchers who are interested in working at this intersected area of artificial intelligence and drug discovery. We also provide a GitHub repository\footnote{\url{https://github.com/dengjianyuan/Survey_AI_Drug_Discovery}} with the collection of papers and codes, if applicable, as a learning resource, which will be regularly updated.

Due to the growing awareness of driving safety and the development of sophisticated technologies, advanced driving assistance system (ADAS) has been equipped in more and more vehicles with higher accuracy and lower price. The latest progress in this field has called for a review to sum up the conventional knowledge of ADAS, the state-of-the-art researches, and novel applications in real-world. With the help of this kind of review, newcomers in this field can get basic knowledge easier and other researchers may be inspired with potential future development possibility. This paper makes a general introduction about ADAS by analyzing its hardware support and computation algorithms. Different types of perception sensors are introduced from their interior feature classifications, installation positions, supporting ADAS functions, and pros and cons. The comparisons between different sensors are concluded and illustrated from their inherent characters and specific usages serving for each ADAS function. The current algorithms for ADAS functions are also collected and briefly presented in this paper from both traditional methods and novel ideas. Additionally, discussions about the definition of ADAS from different institutes are reviewed in this paper, and future approaches about ADAS in China are introduced in particular.

As the world seeks to become more sustainable, intelligent solutions are needed to increase the penetration of renewable energy. In this paper, the model-free deep reinforcement learning algorithm Rainbow Deep Q-Networks is used to control a battery in a small microgrid to perform energy arbitrage and more efficiently utilise solar and wind energy sources. The grid operates with its own demand and renewable generation based on a dataset collected at Keele University, as well as using dynamic energy pricing from a real wholesale energy market. Four scenarios are tested including using demand and price forecasting produced with local weather data. The algorithm and its subcomponents are evaluated against two continuous control benchmarks with Rainbow able to outperform all other method. This research shows the importance of using the distributional approach for reinforcement learning when working with complex environments and reward functions, as well as how it can be used to visualise and contextualise the agent's behaviour for real-world applications.

Algorithms implementing populations of agents which interact with one another and sense their environment may exhibit emergent behavior such as self-organization and swarm intelligence. Here a swarm system, called Databionic swarm (DBS), is introduced which is able to adapt itself to structures of high-dimensional data characterized by distance and/or density-based structures in the data space. By exploiting the interrelations of swarm intelligence, self-organization and emergence, DBS serves as an alternative approach to the optimization of a global objective function in the task of clustering. The swarm omits the usage of a global objective function and is parameter-free because it searches for the Nash equilibrium during its annealing process. To our knowledge, DBS is the first swarm combining these approaches. Its clustering can outperform common clustering methods such as K-means, PAM, single linkage, spectral clustering, model-based clustering, and Ward, if no prior knowledge about the data is available. A central problem in clustering is the correct estimation of the number of clusters. This is addressed by a DBS visualization called topographic map which allows assessing the number of clusters. It is known that all clustering algorithms construct clusters, irrespective of the data set contains clusters or not. In contrast to most other clustering algorithms, the topographic map identifies, that clustering of the data is meaningless if the data contains no (natural) clusters. The performance of DBS is demonstrated on a set of benchmark data, which are constructed to pose difficult clustering problems and in two real-world applications.

In this paper we develop a framework for analysing the impact of Artificial Intelligence (AI) on occupations. This framework maps 59 generic tasks from worker surveys and an occupational database to 14 cognitive abilities (that we extract from the cognitive science literature) and these to a comprehensive list of 328 AI benchmarks used to evaluate research intensity across a broad range of different AI areas. The use of cognitive abilities as an intermediate layer, instead of mapping work tasks to AI benchmarks directly, allows for an identification of potential AI exposure for tasks for which AI applications have not been explicitly created. An application of our framework to occupational databases gives insights into the abilities through which AI is most likely to affect jobs and allows for a ranking of occupations with respect to AI exposure. Moreover, we show that some jobs that were not known to be affected by previous waves of automation may now be subject to higher AI exposure. Finally, we find that some of the abilities where AI research is currently very intense are linked to tasks with comparatively limited labour input in the labour markets of advanced economies (e.g., visual and auditory processing using deep learning, and sensorimotor interaction through (deep) reinforcement learning). This article appears in the special track on AI and Society.

Among different ML models, Deep Neural Networks (DNNs) [130] are well-known and widely used for their powerful representation learning from high-dimensional data such as images, texts, and speech. However, as ML algorithms enter sensitive real-world domains with trustworthiness, safety, and fairness prerequisites, the need for corresponding techniques and metrics for high-stake domains is more noticeable than before. Hence, researchers in different fields propose guidelines for Trustworthy AI [208], Safe AI [5], and Explainable AI [155] as stepping stones for next generation Responsible AI [6, 247]. Furthermore, government reports and regulations on AI accountability [75], trustworthiness [216], and safety [31] are gradually creating mandating laws to protect citizens' data privacy, fair data processing, and upholding safety for AI-based products. The development and deployment of ML algorithms for open-world tasks come with reliability and dependability limitations rooting from model performance, robustness, and uncertainty limitations [156]. Unlike traditional code-based software, ML models have fundamental safety drawbacks, including performance limitations on their training set and run-time robustness in their operational domain.

This article reviews recent progress in the development of the computing framework Vector Symbolic Architectures (also known as Hyperdimensional Computing). This framework is well suited for implementation in stochastic, nanoscale hardware and it naturally expresses the types of cognitive operations required for Artificial Intelligence (AI). We demonstrate in this article that the ring-like algebraic structure of Vector Symbolic Architectures offers simple but powerful operations on high-dimensional vectors that can support all data structures and manipulations relevant in modern computing. In addition, we illustrate the distinguishing feature of Vector Symbolic Architectures, "computing in superposition," which sets it apart from conventional computing. This latter property opens the door to efficient solutions to the difficult combinatorial search problems inherent in AI applications. Vector Symbolic Architectures are Turing complete, as we show, and we see them acting as a framework for computing with distributed representations in myriad AI settings. This paper serves as a reference for computer architects by illustrating techniques and philosophy of VSAs for distributed computing and relevance to emerging computing hardware, such as neuromorphic computing.

Since the emerge of ideas about simulation of life in last decades, several algorithms have been proposed to solve complex problems inspired on nature phenomena; i.e. evolutionary computation or artificial life. A role of a naturalist or biologist is taken with the purpose for studying all living forms in a new ecosystem and trying to make a classification of all discoveries to form a taxonomy of living beings. This role is taken as a computer naturalist to make a compilation of algorithms inspired on behavior of living beings. There are several bio-inspired algorithms; however, this work focus on actions of living beings like the growth of plants, reproduction of mushrooms, living of bacteria, the individuals behavior of animals, etc.; however, highlights the interactions between individuals of a group of different animals like school of fishes, flock of birds, herd of mammals, or swarm of insects. Focusing on algorithms inspired in actions of living beings that belongs to any kingdom of the nature; nevertheless, it is important to locate all algorithms as possible. Only basic algorithms are considered, but derivations, variants and hybrids are omitted; at least, algorithms which involves an inspiration of any living being. Location of bio-inspired algorithms related with a specific species is made by a review of several papers of surveys which involve nature bio-inspired, swarm intelligence, and metaheuristics algorithms; however, several of these surveys consider different points of view. It was consider only survey papers from ten years old ago because it is expected a more complete reviews since then. Surveys span in many cases all kind of algorithms; however many of them have been proposed recently; it maybe because the year 2020 is iconic.

One of the first task of an innovative project is delineating the scope of the project itself or of the product/service to be developed. A wrong scope definition can determine (in the worst case) project failure. A good scope definition become even more relevant in technological intensive innovation projects, nowadays characterized by a highly dynamic multidisciplinary, turbulent and uncertain environment. In these cases, the boundaries of the project are not easily detectable and it is difficult to decide what it is in-scope and out-of-scope. The present work proposes a tool for the scope delineation process, that automatically define an innovative technological field or a new technology. The tool is based on Text Mining algorithm that exploits Elsevier's Scopus abstracts in order to the extract relevant data to define a technological scope. The automatic definition tool is then applied on four case studies: Artificial Intelligence and Data Science. The results show how the tool can provide many crucial information in the definition process of a technological field. In particular for the target technological field (or technology), it provides the definition and other elements related to the target.

We consider the problem of optimizing the distribution operations of a hub using drones to deliver medical supplies to different geographic regions. Drones are an innovative method with many benefits including low-contact delivery thereby reducing the spread of pandemic and vaccine-preventable diseases. While we focus on medical supply delivery for this work, it is applicable to drone delivery for many other applications, including food, postal items, and e-commerce delivery. In this paper, our goal is to address drone delivery challenges by optimizing the distribution operations at a drone hub that dispatch drones to different geographic locations generating stochastic demands for medical supplies. By considering different geographic locations, we consider different classes of demand that require different flight ranges, which is directly related to the amount of charge held in a drone battery. We classify the stochastic demands based on their distance from the drone hub, use a Markov decision process to model the problem, and perform computational tests using realistic data representing a prominent drone delivery company. We solve the problem using a reinforcement learning method and show its high performance compared with the exact solution found using dynamic programming. Finally, we analyze the results and provide insights for managing the drone hub operations.