Autonomous Reaction Network Exploration in Homogeneous and Heterogeneous Catalysis

Autonomous computations that rely on automated reaction network elucidation algorithms may pave the way to make computational catalysis on a par with experimental research in the field. Several advantages of this approach are key to catalysis: (i) automation allows one to consider orders of magnitude more structures in a systematic and open-ended fashion than what would be accessible by manual inspection. Eventually, full resolution in terms of structural varieties and conformations as well as with respect to the type and number of potentially important elementary reaction steps (including decomposition reactions that determine turnover numbers) may be achieved. (ii) Fast electronic structure methods with uncertainty quantification warrant high efficiency and reliability in order to not only deliver results quickly, but also to allow for predictive work. (iii) A high degree of autonomy reduces the amount of manual human work, processing errors, and human bias. Although being inherently unbiased, it is still steerable with respect to specific regions of an emerging network and with respect to the addition of new reactant species. This allows for a high fidelity of the formalization of some catalytic process and for surprising in silico discoveries. In this work, we first review the state of the art in computational catalysis to embed autonomous explorations into the general field from which it draws its ingredients. We then elaborate on the specific conceptual issues that arise in the context of autonomous computational procedures, some of which we discuss at an example catalytic system. Graphical Abstract

Pre-analytical specimen labelling and processing errors in the ICU

Introduction: Specimen rejections have been associated with increased in-hospital stay and cost. The majority of errors occur in the pre-analytic phase. Specimen rejection can lead to high rate of recollection, delay in result availability, and high rate of test abandonment. These factors affect patient care and safety. Methods: This study conducted a retrospective review of Patient Safety Learning System (PSLS) reports for the intensive care unit (ICU) at The Ottawa Hospital General Campus (TOH) between 2010 and 2018, and a prospective review using interviews, surveys, and process mapping. Results: From 2098 PSLS reports, 52.6% were related to laboratory specimen collection and processing (pre-analytic phase). Specimen mislabelling with the wrong patient identifier accounted for 9.8% of pre-analytical error reports, while 16.4% of errors were due to non-sufficient quantity (NSQ) of specimen. 12.2 % of pre-analytical error reports involved cytology specimens. Conclusions: Pre-analytical errors are not only costly and resource draining, but may also place a burden on patients. Areas where errors were found include labels and requisitions stored in bedside cabinets, inconsistencies between specimen labels and requisitions, out-dated and difficult to access laboratory manuals, and non-sufficient quantity specimen collection. In the future we hope to start new initiatives to tackle these issues to improve patient safety and hospital efficiencies. This includes the development of a website for the laboratory manual, so that it is more easily accessible and user-friendly. With a new electronic medical record (EMR) system at TOH in 2019, we will explore the affects of pre-analytical processing of specimens.

Do negative events really have deteriorating effects on stock performance? A comparative study on Tesla (US) and Nio (China)

PurposeBoth investors and the stock markets are believed to behave in a perfectly rational manner, where investors focus on utility maximization and are not subjected to cognitive biases or any information processing errors. However, it has been discovered that the sentiment of the social mood has a significant impact on the stock market. This study aims to analyze how did the protest event of Tesla happened in April 2021 have a significant effect on the company's stock performance as well as its competitors, Nio, under the competitive effect.Design/methodology/approachThe research is based on time series data collected from Tesla and Nio by employing 10 days, 15 days and 20 days anticipation and adjustment period for the event study. This study employed a text sentiment analysis to identify the polarity of the sentiment of the protest event using the Microsoft Azure machine learning tool which utilizes MPQA subjective lexicon.FindingsThe findings provide further evidence to show that a company-specific negative event has deteriorating effects on its stock performance, while having an opposite effect on its competitors.Research limitations/implicationsThe paper argues that negative sentiments through social media word of mouth (SWOM) affect the stock market not just in the short run but potentially in the longer run. Such negative sentiments might create a snowball effect which causes the market to further scrutinize a company's operations and possibly lose confidence in the company.Originality/valueThis study explores how the Tesla's protest event at Shanghai Auto Show 2021 has a significant impact on Tesla's stock performance and prolonged negative impact although Tesla implemented immediate remedial actions. The remedial actions were not accepted positively and induced a wave of negative news which had a more persistent effect.

Proposed single-zone map projection system for Turkey

The coordinate base of the maps or sheets produced is the Universal Transversal Mercator (UTM) conformal projection, and it is not possible to work in a single coordinate system in Turkey. Therefore, a transition from UTM to other conformal projections is required. For the countries extending in an east–west UTM zone width like Turkey, composite projection (CP), a double standard paralleling Lambert Conformal Conic (LCC) and double map projections (DP) are used widely. However, this process causes increase in working load and processing errors by users. This study aims to determine a common projection system that can be used in the whole country. In this context, a composite projection from UTM and LCC projection has been defined for the first time. According to the results obtained, map projection CP with the least distortion values in both east–west and north–south directions has been chosen. With the CP selection, a single coordinate system has been determined for medium- and large-scale maps. Projection correction formulas, scale factor and false origin have been determined for map coordinates in CP. These distortions are obtained with a difference of less than 1 cm for 1 km long sides and less than 0.003″ for the azimuth value of this side, when the correction formulas are used.

Diverse routes to expertise in facial recognition

Facial recognition errors jeopardize national security, criminal justice, public safety and civil rights. Here, we compare the most accurate humans and facial recognition technology in a detailed lab-based evaluation and international proficiency test for forensic scientists involving 27 forensic departments from 14 countries. We find striking cognitive and perceptual diversity between naturally skilled super-recognizers, trained forensic examiners and deep neural networks, despite them achieving equivalent accuracy. Clear differences emerged in super-recognizers’ and forensic examiners’ perceptual processing, errors, and response patterns: super-recognizers were fast, biased to respond ‘same person’ and misidentified people with extreme confidence, whereas forensic examiners were slow, unbiased and strategically avoided misidentification errors. Further, these human experts and algorithms disagreed on the similarity of faces, pointing to differences in their face representations. Our findings reveal there are multiple types of facial recognition expertise, some of which are better suited to particular real-world facial recognition roles than others.

Study on Heat Sources of Horizontal Lathe Machine by Using Inverse Method

Thermal has significantly effect on high speed machine tools. When temperature growing up, it often causes processing errors and further reduces product quality. This paper aims to investigate magnitude of heat sources and temperature distribution in a horizontal lathe based on inverse method. In present thermal model, there is not only consideration of spindle but also analyzing relative structures. Simulated and experimental temperatures are used as input data to predict heat sources and temperature field. Effects of speed, number measured points, measurement errors and measured distance on predicted results are analyzed. Results indicate that this inverse method can accurately estimate the heat sources based on two measured temperatures at front and rear outer rings. The trend of estimated heat sources is then compared to measured load rate. Results herein are useful information for designing horizontal lathe spindle and reducing thermal errors.

Game Theory Without Partitions, and Applications to Speculation and Consensus

Decision theory and game theory are extended to allow for information processing errors. This extended theory is then used to reexamine market speculation and consensus, both when all actions (opinions) are common knowledge and when they may not be. Five axioms of information processing are shown to be especially important to speculation and consensus. They are called nondelusion, knowing that you know (KTYK), nested, balanced, and positively balanced. We show that it is necessary and sufficient that each agent's information processing errors be (1) nondeluded and balanced so that the agents cannot agree to disagree, (2) nondeluded and positively balanced so that it cannot be common knowledge that they are speculating, and (3) nondeluded and KTYK and nested so that agents cannot speculate in equilibrium. Each condition is strictly weaker than the next one, and the last is strictly weaker than partition information.

Penerapan Metode RAD Pada Sistem Informasi Layanan Umroh Di PT. Galang Saudi Tourism Jakarta Berbasis Website

Abstrak: Sebagai penyedia jasa layanan umroh, PT. Galang Saudi Tourism Jakarta menyediakan bebrapa paket pilihan umroh yang dibutuhkan oleh jamaah. PT. Galang Saudi Tourism Jakarta bertanggung jawab terhadap seluruh fasilitas dan pelayanan selama jamaah berada di tanah suci sesuai dengan fasilitas dan pelayanan yang dibutuhkan. Semakin banyaknya calon jamaah yang akan menunaikan umroh semakin banyak pula kebutuhan informasi yang akurat dari perusahaan penyedia jasa umroh. Dengan pengolahan data yang masih konvensional diantaranya pengolahan data master jamaah, data pesanan, data paket, data sertifikat hingga pembuatan laporan selalu terjadi penumpukan dokumen, yang akan memungkinkan kesalahan pengolahan data dan saat pencarian data akan sulit ditemukan yang diperlukan merupakan hal yang menjadi kendala bagi staff pelayanan sehingga berpengaruh terhadap keterlambatan terbentuknya laporan yang akan disampaikan kepada pimpinan perusahaan. Dengan alasan itu maka diperlukan suatu sistem informasi yang dapat mengakomodir kebutuhan layanan umroh berbasis website yang memudahkan staff pelayanan dalam pengolahan data umroh. Perancangan sistem informasi ini dibuat dengan metode pengembangan sistem Model RAD (Rapid Application Development) dengan tahapan pemodelan bisnis, pemodelan data, pemodelan proses, pembuatan aplikasi, pengujian dan pergantian. Hasil dari penelitian ini dengan sistem informasi yang terkomputerisasi tidak ada lagi kerangkapan dokumen, pembuatan laporan layanan umroh lebih cepat tepat dan akurat karena menggunakan sistem komputerisasi dan kontrol data pemesanan, pembayaran dan pelunasan biaya umroh lebih mudah dilakukan dan dapat dengan mobile. Kata kunci: layanan umroh, sistem informasi, RAD, website. Abstract: PT. Galang Saudi Tourism Jakarta handles the types of Umrah services that are tailored to the capabilities and needs of the congregation by providing several options for Umrah packages. PT. Galang Saudi Tourism Jakarta is responsible for all facilities and services as long as the congregation is in the holy land according to the facilities and services needed. The more prospective pilgrims who will perform the Umrah, the more accurate information is needed from the Umrah service provider companies. With data processing that is still conventional, including processing congregation master data, order data, package data, certificate data to making reports, there is always a buildup of documents, which will allow data processing errors, and when searching for data it will be difficult to find what is needed is a problem for staff service so that it affects the delay in the formation of reports to be submitted to company leaders. For that reason, an information system is needed that can accommodate the needs of website-based Umrah services that make it easier for service staff to process Umrah data. The design of this information system is made with the RAD Model system development method (Rapid Application Development) with the stages of business modeling, data modeling, process modeling, application development, testing, and replacement. The results of this study with a computerized information system that no longer has duplicate documents, making Umrah service reports is faster, more precise, and accurate because it uses a computerized system and data control for ordering, paying, and paying Umrah fees easier to do and can be done by mobile. Keywords: umrah services, information system, RAD, website.

Optimizing Decision-Making Processes in Times of COVID-19: Using Reflexivity to Counteract Information-Processing Failures

The effectiveness of policymakers’ decision-making in times of crisis depends largely on their ability to integrate and make sense of information. The COVID-19 crisis confronts governments with the difficult task of making decisions in the interest of public health and safety. Essentially, policymakers have to react to a threat, of which the extent is unknown, and they are making decisions under time constraints in the midst of immense uncertainty. The stakes are high, the issues involved are complex and require the careful balancing of several interests, including (mental) health, the economy, and human rights. These circumstances render policymakers’ decision-making processes vulnerable to errors and biases in the processing of information, thereby increasing the chances of faulty decision-making processes with poor outcomes. Prior research has identified three main information-processing failures that can distort group decision-making processes and can lead to negative outcomes: (1) failure to search for and share information, (2) failure to elaborate on and analyze information that is not in line with earlier information and (3) failure to revise and update conclusions and policies in the light of new information. To date, it has not yet been explored how errors and biases underlying these information-processing failures impact decision-making processes in times of crisis. In this narrative review, we outline how groupthink, a narrow focus on the problem of containing the virus, and escalation of commitment may pose real risks to decision-making processes in handling the COVID-19 crisis and may result in widespread societal damages. Hence, it is vital that policymakers take steps to maximize the quality of the decision-making process and increase the chances of positive outcomes as the crisis goes forward. We propose group reflexivity—a deliberate process of discussing team goals, processes, or outcomes—as an antidote to these biases and errors in decision-making. Specifically, we recommend several evidence-based reflexivity tools that could easily be implemented to counter these information-processing errors and improve decision-making processes in uncertain times.

Analisa Artefak Pada Hasil Radiograf Yang Timbul Akibat Pengolahan Computed Radiography

Artefacts are structures or appearances that are not normally present on radiographs, errors in radiographic processing may be due to technical errors or film processing errors. This research was conducted using Descriptive methods, with the type of literature study that aims to examine the causes of artifacts that can occur as a result of improper handling of film processing errors.The results of the analysis concluded that the frequent occurrence of artifacts in the processing of Computed Radiography is caused by two factors, that is the use of imaging plates and grids lisolm. His advice should be in the processing using Computed Radigraphy the officer must be more careful and pay attention to the components in Computed Radiography.