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Artificial intelligence (AI) is being increasingly integrated into scientific discovery to augment and accelerate research, helping scientists to generate hypotheses, design experiments, collect and interpret large datasets, and gain insights that might not have been possible using traditional scientific methods alone. Here we examine breakthroughs over the past decade that include self-supervised learning, which allows models to be trained on vast amounts of unlabelled data, and geometric deep learning, which leverages knowledge about the structure of scientific data to enhance model accuracy and efficiency. Generative AI methods can create designs, such as small-molecule drugs and proteins, by analysing diverse data modalities, including images and sequences. We discuss how these methods can help scientists throughout the scientific process and the central issues that remain despite such advances. Both developers and users of AI tools need a better understanding of when such approaches need improvement, and challenges posed by poor data quality and stewardship remain. These issues cut across scientific disciplines and require developing foundational algorithmic approaches that can contribute to scientific understanding or acquire it autonomously, making them critical areas of focus for AI innovation. The advances in artificial intelligence over the past decade are examined, with a discussion on how artificial intelligence systems can aid the scientific process and the central issues that remain despite advances.

\"Today Artificial Intelligence (AI) and Machine/Deep Learning (ML/DL) have become the hottest areas in the information technology. In our society, there are so many intelligent devices that rely on AI/ML/DL algorithms/tools for smart operations. Although AI/ML/DL algorithms/tools have used in many Internet applications and electronic devices, they are also vulnerable to various attacks and threats. The AI parameters may be distorted by the internal attacker; the DL input samples may be polluted by adversaries; the ML model may be misled by changing the classification boundary, and many other attacks/threats. Those attacks make the AI products dangerous to use. While the above discussion focuses on the security issues in AI/ML/DL-based systems (i.e., securing the intelligent systems themselves), AI/ML/DL models/algorithms can be used for cyber security (i.e., use AI to achieve security). Since the AI/ML/DL security is a new emergent field, many researchers and industry people cannot obtain detailed, comprehensive understanding of this area. This book aims to provide a complete picture on the challenges and solutions to the security issues in various applications. It explains how different attacks can occur in advanced AI tools and the challenges of overcoming those attacks. Then many sets of promising solutions are described to achieve AI security and privacy in this book. The features of this book consist of 7 aspects: This is the first book to explain various practical attacks and countermeasures to AI systems; Both quantitative math models and practical security implementations are provided; It covers both \"securing the AI system itself\" and \"use AI to achieve security\"; It covers all the advanced AI attacks and threats with detailed attack models; It provides the multiple solution spaces to the security and privacy issues in AI tools; The differences among ML and DL security/privacy issues are explained. Many practical security applications are covered\"-- Provided by publisher.

The study of zero-shot generalisation (ZSG) in deep Reinforcement Learning (RL) aims to produce RL algorithms whose policies generalise well to novel unseen situations at deployment time, avoiding overfitting to their training environments. Tackling this is vital if we are to deploy reinforcement learning algorithms in real world scenarios, where the environment will be diverse, dynamic and unpredictable. This survey is an overview of this nascent field. We rely on a unifying formalism and terminology for discussing different ZSG problems, building upon previous works. We go on to categorise existing benchmarks for ZSG, as well as current methods for tackling these problems. Finally, we provide a critical discussion of the current state of the field, including recommendations for future work. Among other conclusions, we argue that taking a purely procedural content generation approach to benchmark design is not conducive to progress in ZSG, we suggest fast online adaptation and tackling RL-specific problems as some areas for future work on methods for ZSG, and we recommend building benchmarks in underexplored problem settings such as offline RL ZSG and reward-function variation.

Building autonomous machines that can explore open-ended environments, discover possible interactions and build repertoires of skills is a general objective of artificial intelligence. Developmental approaches argue that this can only be achieved by autotelic agents: intrinsically motivated learning agents that can learn to represent, generate, select and solve their own problems. In recent years, the convergence of developmental approaches with deep reinforcement learning (RL) methods has been leading to the emergence of a new field: developmental reinforcement learning. Developmental RL is concerned with the use of deep RL algorithms to tackle a developmental problem— the intrinsically motivated acquisition of open-ended repertoires of skills. The self-generation of goals requires the learning of compact goal encodings as well as their associated goal-achievement functions. This raises new challenges compared to standard RL algorithms originally designed to tackle pre-defined sets of goals using external reward signals. The present paper introduces developmental RL and proposes a computational framework based on goal-conditioned RL to tackle the intrinsically motivated skills acquisition problem. It proceeds to present a typology of the various goal representations used in the literature, before reviewing existing methods to learn to represent and prioritize goals in autonomous systems. We finally close the paper by discussing some open challenges in the quest of intrinsically motivated skills acquisition.

Objective: The objective of the article is to provide a comprehensive identification and understanding of the challenges and opportunities associated with the use of generative artificial intelligence (GAI) in business. This study sought to develop a conceptual framework that gathers the negative aspects of GAI development in management and economics, with a focus on ChatGPT. Research Design Methods: The study employed a narrative and critical literature review and developed a conceptual framework based on prior literature. We used a line of deductive reasoning in formulating our theoretical framework to make the study’s overall structure rational and productive. Therefore, this article should be viewed as a conceptual article that highlights the controversies and threats of GAI in management and economics, with ChatGPT as a case study. Findings: Based on the conducted deep and extensive query of academic literature on the subject as well as professional press and Internet portals, we identified various controversies, threats, defects, and disadvantages of GAI, in particular ChatGPT. Next, we grouped the identified threats into clusters to summarize the seven main threats we see. In our opinion they are as follows: (i) no regulation of the AI market and urgent need for regula- tion, (ii) poor quality, lack of quality control, disinformation, deepfake content, algorithmic bias, (iii) automation- spurred job losses, (iv) personal data violation, social surveillance, and privacy violation, (v) social manipulation, weakening ethics and goodwill, (vi) widening socio-economic inequalities, and (vii) AI technostress. Implications Recommendations: It is important to regulate the AI/GAI market. Advocating for the regula- tion of the AI market is crucial to ensure a level playing field, promote fair competition, protect intellectual property rights and privacy, and prevent potential geopolitical risks. The changing job market requires workers to continuously acquire new (digital) skills through education and retraining. As the training of AI systems becomes a prominent job category, it is important to adapt and take advantage of new opportunities. To mitigate the risks related to personal data violation, social surveillance, and privacy violation, GAI developers must prioritize ethical considerations and work to develop systems that prioritize user privacy and security. To avoid social manipulation and weaken ethics and goodwill, it is important to implement responsible AI practices and ethical guidelines: transparency in data usage, bias mitigation techniques, and monitoring of generated content for harmful or misleading information. Contribution Value Added: This article may aid in bringing attention to the significance of resolving the ethical and legal considerations that arise from the use of GAI and ChatGPT by drawing attention to the controversies and hazards associated with these technologies.

Deep neural networks (DNNs) are an indispensable machine learning tool despite the difficulty of diagnosing what aspects of a model’s input drive its decisions. In countless real-world domains, from legislation and law enforcement to healthcare, such diagnosis is essential to ensure that DNN decisions are driven by aspects appropriate in the context of its use. The development of methods and studies enabling the explanation of a DNN’s decisions has thus blossomed into an active and broad area of research. The field’s complexity is exacerbated by competing definitions of what it means “to explain” the actions of a DNN and to evaluate an approach’s “ability to explain”. This article offers a field guide to explore the space of explainable deep learning for those in the AI/ML field who are uninitiated. The field guide: i) Introduces three simple dimensions defining the space of foundational methods that contribute to explainable deep learning, ii) discusses the evaluations for model explanations, iii) places explainability in the context of other related deep learning research areas, and iv) discusses user-oriented explanation design and future directions. We hope the guide is seen as a starting point for those embarking on this research field.

Recently, using artificial intelligence (AI) in drug discovery has received much attention since it significantly shortens the time and cost of developing new drugs. Deep learning (DL)-based approaches are increasingly being used in all stages of drug development as DL technology advances, and drug-related data grows. Therefore, this paper presents a systematic Literature review (SLR) that integrates the recent DL technologies and applications in drug discovery Including, drug–target interactions (DTIs), drug–drug similarity interactions (DDIs), drug sensitivity and responsiveness, and drug-side effect predictions. We present a review of more than 300 articles between 2000 and 2022. The benchmark data sets, the databases, and the evaluation measures are also presented. In addition, this paper provides an overview of how explainable AI (XAI) supports drug discovery problems. The drug dosing optimization and success stories are discussed as well. Finally, digital twining (DT) and open issues are suggested as future research challenges for drug discovery problems. Challenges to be addressed, future research directions are identified, and an extensive bibliography is also included.

Thanks to the exponential growth in computing power and vast amounts of data, artificial intelligence (AI) has witnessed remarkable developments in recent years, enabling it to be ubiquitously adopted in our daily lives. Even though AI-powered systems have brought competitive advantages, the black-box nature makes them lack transparency and prevents them from explaining their decisions. This issue has motivated the introduction of explainable artificial intelligence (XAI), which promotes AI algorithms that can show their internal process and explain how they made decisions. The number of XAI research has increased significantly in recent years, but there lacks a unified and comprehensive review of the latest XAI progress. This review aims to bridge the gap by discovering the critical perspectives of the rapidly growing body of research associated with XAI. After offering the readers a solid XAI background, we analyze and review various XAI methods, which are grouped into (i) pre-modeling explainability, (ii) interpretable model, and (iii) post-modeling explainability. We also pay attention to the current methods that dedicate to interpret and analyze deep learning methods. In addition, we systematically discuss various XAI challenges, such as the trade-off between the performance and the explainability, evaluation methods, security, and policy. Finally, we show the standard approaches that are leveraged to deal with the mentioned challenges.

Deep learning has evolved as a strong and efficient framework that can be applied to a broad spectrum of complex learning problems which were difficult to solve using the traditional machine learning techniques in the past. The advancement of deep learning has been so radical that today it can surpass human‐level performance. As a consequence, deep learning is being extensively used in most of the recent day‐to‐day applications. However, efficient deep learning systems can be jeopardised by using crafted adversarial samples, which may be imperceptible to the human eye, but can lead the model to misclassify the output. In recent times, different types of adversaries based on their threat model leverage these vulnerabilities to compromise a deep learning system where adversaries have high incentives. Hence, it is extremely important to provide robustness to deep learning algorithms against these adversaries. However, there are only a few strong countermeasures which can be used in all types of attack scenarios to design a robust deep learning system. Herein, the authors attempt to provide a detailed discussion on different types of adversarial attacks with various threat models and also elaborate on the efficiency and challenges of recent countermeasures against them.