scholarly journals Leveraging Machine Learning for Enantioselective Catalysis: From Dream to Reality

2021 ◽  
Vol 75 (7) ◽  
pp. 592-597
Author(s):  
N. Ian Rinehart ◽  
Andrew F. Zahrt ◽  
Scott E. Denmark

Catalyst optimization for enantioselective transformations has traditionally relied on empirical evaluation of catalyst properties. Although this approach has been successful in the past it is intrinsically limited and inefficient. To address this problem, our laboratory has developed a fully informatics guided workflow to leverage the power of artificial intelligence (AI) and machine learning (ML) to accelerate the discovery and optimization of any class of catalyst for any transformation. This approach is mechanistically agnostic, but also serves as a discovery platform to identify high performing catalysts that can be subsequently investigated with physical organic methods to identify the origins of selectivity.

2021 ◽  
Author(s):  
Tim Hwang ◽  
Rebecca Gelles ◽  
Simon Rodriguez

Based on news coverage alone, it can seem as if corporations dominate the research on artificial intelligence and machine learning when compared to the work of universities and academia. Authors Simon Rodriguez, Tim Hwang and Rebecca Gelles analyze the data over the past decade of research publications and find that, in fact, universities are the more dominant producers of AI papers. They also find that while corporations do tend to generate more citations to the work they publish in the field, these “high performing” papers are most frequently cross-collaborations with university labs.


2020 ◽  
Vol 114 ◽  
pp. 242-245
Author(s):  
Jootaek Lee

The term, Artificial Intelligence (AI), has changed since it was first coined by John MacCarthy in 1956. AI, believed to have been created with Kurt Gödel's unprovable computational statements in 1931, is now called deep learning or machine learning. AI is defined as a computer machine with the ability to make predictions about the future and solve complex tasks, using algorithms. The AI algorithms are enhanced and become effective with big data capturing the present and the past while still necessarily reflecting human biases into models and equations. AI is also capable of making choices like humans, mirroring human reasoning. AI can help robots to efficiently repeat the same labor intensive procedures in factories and can analyze historic and present data efficiently through deep learning, natural language processing, and anomaly detection. Thus, AI covers a spectrum of augmented intelligence relating to prediction, autonomous intelligence relating to decision making, automated intelligence for labor robots, and assisted intelligence for data analysis.


2018 ◽  
Vol 14 (4) ◽  
pp. 734-747 ◽  
Author(s):  
Constance de Saint Laurent

There has been much hype, over the past few years, about the recent progress of artificial intelligence (AI), especially through machine learning. If one is to believe many of the headlines that have proliferated in the media, as well as in an increasing number of scientific publications, it would seem that AI is now capable of creating and learning in ways that are starting to resemble what humans can do. And so that we should start to hope – or fear – that the creation of fully cognisant machine might be something we will witness in our life time. However, much of these beliefs are based on deep misconceptions about what AI can do, and how. In this paper, I start with a brief introduction to the principles of AI, machine learning, and neural networks, primarily intended for psychologists and social scientists, who often have much to contribute to the debates surrounding AI but lack a clear understanding of what it can currently do and how it works. I then debunk four common myths associated with AI: 1) it can create, 2) it can learn, 3) it is neutral and objective, and 4) it can solve ethically and/or culturally sensitive problems. In a third and last section, I argue that these misconceptions represent four main dangers: 1) avoiding debate, 2) naturalising our biases, 3) deresponsibilising creators and users, and 4) missing out some of the potential uses of machine learning. I finally conclude on the potential benefits of using machine learning in research, and thus on the need to defend machine learning without romanticising what it can actually do.


2015 ◽  
Vol 3 (2) ◽  
pp. 115-126 ◽  
Author(s):  
Naresh Babu Bynagari

Artificial Intelligence (AI) is one of the most promising and intriguing innovations of modernity. Its potential is virtually unlimited, from smart music selection in personal gadgets to intelligent analysis of big data and real-time fraud detection and aversion. At the core of the AI philosophy lies an assumption that once a computer system is provided with enough data, it can learn based on that input. The more data is provided, the more sophisticated its learning ability becomes. This feature has acquired the name "machine learning" (ML). The opportunities explored with ML are plentiful today, and one of them is an ability to set up an evolving security system learning from the past cyber-fraud experiences and developing more rigorous fraud detection mechanisms. Read on to learn more about ML, the types and magnitude of fraud evidenced in modern banking, e-commerce, and healthcare, and how ML has become an innovative, timely, and efficient fraud prevention technology.


To build up a particular profile about a person, the study of examining the comportment is known as Behavior analysis. Initially the Behavior analysis is used in psychology and for suggesting and developing different types the application content for user then it developed in information technology. To make the applications for user's personal needs it becoming a new trends with the use of artificial intelligence (AI). in many applications like innovation to do everything from anticipating buy practices to altering a home's indoor regulator to the inhabitant's optimal temperature for a specific time of day use machine learning and artificial intelligence technology. The technique that is use to advance the rule proficiency that rely upon the past experience is known as machine learning. By utilizing the insights hypothesis it makes the numerical model, and its real work is to infer from the models gave. To take the information clearly from the data the methodology utilizes computational techniques.


Author(s):  
Melda Yucel ◽  
Gebrail Bekdaş ◽  
Sinan Melih Nigdeli

This chapter presents a summary review of development of Artificial Intelligence (AI). Definitions of AI are given with basic features. The development process of AI and machine learning is presented. The developments of applications from the past to today are mentioned and use of AI in different categories is given. Prediction applications using artificial neural network are given for engineering applications. Usage of AI methods to predict optimum results is the current trend and it will be more important in the future.


2021 ◽  
Vol 8 ◽  
Author(s):  
Yujie Song ◽  
Laurène Bernard ◽  
Christian Jorgensen ◽  
Gilles Dusfour ◽  
Yves-Marie Pers

During the past 20 years, the development of telemedicine has accelerated due to the rapid advancement and implementation of more sophisticated connected technologies. In rheumatology, e-health interventions in the diagnosis, monitoring and mentoring of rheumatic diseases are applied in different forms: teleconsultation and telecommunications, mobile applications, mobile devices, digital therapy, and artificial intelligence or machine learning. Telemedicine offers several advantages, in particular by facilitating access to healthcare and providing personalized and continuous patient monitoring. However, some limitations remain to be solved, such as data security, legal problems, reimbursement method, accessibility, as well as the application of recommendations in the development of the tools.


Thorax ◽  
2020 ◽  
Vol 75 (8) ◽  
pp. 695-701 ◽  
Author(s):  
Sherif Gonem ◽  
Wim Janssens ◽  
Nilakash Das ◽  
Marko Topalovic

The past 5 years have seen an explosion of interest in the use of artificial intelligence (AI) and machine learning techniques in medicine. This has been driven by the development of deep neural networks (DNNs)—complex networks residing in silico but loosely modelled on the human brain—that can process complex input data such as a chest radiograph image and output a classification such as ‘normal’ or ‘abnormal’. DNNs are ‘trained’ using large banks of images or other input data that have been assigned the correct labels. DNNs have shown the potential to equal or even surpass the accuracy of human experts in pattern recognition tasks such as interpreting medical images or biosignals. Within respiratory medicine, the main applications of AI and machine learning thus far have been the interpretation of thoracic imaging, lung pathology slides and physiological data such as pulmonary function tests. This article surveys progress in this area over the past 5 years, as well as highlighting the current limitations of AI and machine learning and the potential for future developments.


2020 ◽  
Vol 2 (11) ◽  
Author(s):  
Petar Radanliev ◽  
David De Roure ◽  
Rob Walton ◽  
Max Van Kleek ◽  
Rafael Mantilla Montalvo ◽  
...  

AbstractWe explore the potential and practical challenges in the use of artificial intelligence (AI) in cyber risk analytics, for improving organisational resilience and understanding cyber risk. The research is focused on identifying the role of AI in connected devices such as Internet of Things (IoT) devices. Through literature review, we identify wide ranging and creative methodologies for cyber analytics and explore the risks of deliberately influencing or disrupting behaviours to socio-technical systems. This resulted in the modelling of the connections and interdependencies between a system's edge components to both external and internal services and systems. We focus on proposals for models, infrastructures and frameworks of IoT systems found in both business reports and technical papers. We analyse this juxtaposition of related systems and technologies, in academic and industry papers published in the past 10 years. Then, we report the results of a qualitative empirical study that correlates the academic literature with key technological advances in connected devices. The work is based on grouping future and present techniques and presenting the results through a new conceptual framework. With the application of social science's grounded theory, the framework details a new process for a prototype of AI-enabled dynamic cyber risk analytics at the edge.


2019 ◽  
Author(s):  
Lu Liu ◽  
Ahmed Elazab ◽  
Baiying Lei ◽  
Tianfu Wang

BACKGROUND Echocardiography has a pivotal role in the diagnosis and management of cardiovascular diseases since it is real-time, cost-effective, and non-invasive. The development of artificial intelligence (AI) techniques have led to more intelligent and automatic computer-aided diagnosis (CAD) systems in echocardiography over the past few years. Automatic CAD mainly includes classification, detection of anatomical structures, tissue segmentation, and disease diagnosis, which are mainly completed by machine learning techniques and the recent developed deep learning techniques. OBJECTIVE This review aims to provide a guide for researchers and clinicians on relevant aspects of AI, machine learning, and deep learning. In addition, we review the recent applications of these methods in echocardiography and identify how echocardiography could incorporate AI in the future. METHODS This paper first summarizes the overview of machine learning and deep learning. Second, it reviews current use of AI in echocardiography by searching literature in the main databases for the past 10 years and finally discusses potential limitations and challenges in the future. RESULTS AI has showed promising improvements in analysis and interpretation of echocardiography to a new stage in the fields of standard views detection, automated analysis of chamber size and function, and assessment of cardiovascular diseases. CONCLUSIONS Compared with machine learning, deep learning methods have achieved state-of-the-art performance across different applications in echocardiography. Although there are challenges such as the required large dataset, AI can provide satisfactory results by devising various strategies. We believe AI has the potential to improve accuracy of diagnosis, reduce time consumption, and decrease the load of cardiologists.


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