Psi4 is an ab initio electronic structure program providing methods such as Hartree–Fock, density functional theory, configuration interaction, and coupled-cluster theory. The 1.1 release represents ...a major update meant to automate complex tasks, such as geometry optimization using complete-basis-set extrapolation or focal-point methods. Conversion of the top-level code to a Python module means that Psi4 can now be used in complex workflows alongside other Python tools. Several new features have been added with the aid of libraries providing easy access to techniques such as density fitting, Cholesky decomposition, and Laplace denominators. The build system has been completely rewritten to simplify interoperability with independent, reusable software components for quantum chemistry. Finally, a wide range of new theoretical methods and analyses have been added to the code base, including functional-group and open-shell symmetry adapted perturbation theory, density-fitted coupled cluster with frozen natural orbitals, orbital-optimized perturbation and coupled-cluster methods (e.g., OO-MP2 and OO-LCCD), density-fitted multiconfigurational self-consistent field, density cumulant functional theory, algebraic-diagrammatic construction excited states, improvements to the geometry optimizer, and the “X2C” approach to relativistic corrections, among many other improvements.
Pediatric populations are uniquely vulnerable to the usability and safety challenges of electronic health records (EHRs), particularly those related to medication, yet little is known about the ...specific issues contributing to hazards. To understand specific usability issues and medication errors in the care of children, we analyzed 9,000 patient safety reports, made in the period 2012-17, from three different health care institutions that were likely related to EHR use. Of the 9,000 reports, 3,243 (36 percent) had a usability issue that contributed to the medication event, and 609 (18.8 percent) of the 3,243 might have resulted in patient harm. The general pattern of usability challenges and medication errors were the same across the three sites. The most common usability challenges were associated with system feedback and the visual display. The most common medication error was improper dosing.
Toward a Model for Personal Health Record Interoperability Roehrs, Alex; da Costa, Cristiano Andre; da Rosa Righi, Rodrigo ...
IEEE journal of biomedical and health informatics,
2019-March, 2019-03-00, 2019-3-00, 20190301, Letnik:
23, Številka:
2
Journal Article
Recenzirano
Health information technology, applied to electronic health record (EHR), has evolved with the adoption of standards for defining patient health records. However, there are many standards for ...defining such data, hindering communication between different healthcare providers. Even with adopted standards, patients often need to repeatedly provide their health information when they are taken care of at different locations. This problem hinders the adoption of personal health record (PHR), with the patients' health records under their own control. Therefore, the purpose of this paper is to propose an interoperability model for PHR use. The methodology consisted prototyping an application model named OmniPHR, to evaluate the structuring of semantic interoperability and integration of different health standards, using a real database from anonymized patients. We evaluated health data from a hospital database with 38 645 adult patients' medical records processed using different standards, represented by openEHR, HL7 FHIR, and MIMIC-III reference models. OmniPHR demonstrated the feasibility to provide interoperability through a standard ontology and artificial intelligence with natural language processing (NLP). Although the first executions reached a 76.39% F1-score and required retraining of the machine-learning process, the final score was 87.9%, presenting a way to obtain the original data from different standards on a single format. Unlike other models, OmniPHR presents a unified, structural semantic and up-to-date vision of PHR for patients and healthcare providers. The results were promising and demonstrated the possibility of subsidizing the creation of inferences rules about possible patient health problems or preventing future problems.
Multiple Protocol Converter Sivaraj, D.; Ragavi, G.
Journal of physics. Conference series,
06/2021, Letnik:
1917, Številka:
1
Journal Article
Recenzirano
Odprti dostop
Abstract
In the modern world, IoT plays a vital role. In general, each device works on a different protocol. The problem of achieving communication between two processes across a network or an ...internetwork is considered. The notion of logical connectivity between processes in a protocol is formalized. The problem of constructing a protocol converter to achieve interoperability between processes that implement different protocols is addressed. A formal model is presented, based on the theory of protocol projection, for reasoning about the semantics of different protocols and conversions between them. This paper ‘Multiple Protocol Converter’ aims in converting from one protocol to any other protocol as per the requirement which supports different devices to interconnect with IoT seamlessly.
This open access book discusses how the involvement of citizens into scientific endeavors is expected to contribute to solve the big challenges of our time, such as climate change and the loss of ...biodiversity, growing inequalities within and between societies, and the sustainability turn. The field of citizen science has been growing in recent decades. Many different stakeholders from scientists to citizens and from policy makers to environmental organisations have been involved in its practice. In addition, many scientists also study citizen science as a research approach and as a way for science and society to interact and collaborate. This book provides a representation of the practices as well as scientific and societal outcomes in different disciplines. It reflects the contribution of citizen science to societal development, education, or innovation and provides and overview of the field of actors as well as on tools and guidelines. It serves as an introduction for anyone who wants to get involved in and learn more about the science of citizen science.
New technologies supporting cyber-physical enterprise systems with respect to online decision-making based on up-to-date data, require networked sensor and actor systems in place. Interoperability is ...a key factor when supporting systems in a system-of-systems. In this paper, we survey approaches on Enterprise Interoperability with special attention to the Cyber-Physical Manufacturing Enterprise. The paper identifies the need for interoperability in system-of-systems in contrast to integration in a single system. Also identified are issues due to insufficient support for physical aspects of systems. An application scenario from the manufacturing domain will serve to underpin the developed approach.
Chatbots are computer programs with which one can have a conversation. In this article, the authors describe how the GPT-4 chatbot, which has been given a general education, could affect the practice ...of medicine.
Heterogeneous test processes with respect to test script languages are an integral part of the development process of mechatronic systems that are carried out in supply chains. Up to now, test cases ...are not exchangeable between test processes because interoperability is not given. The developed approach enables the source-to-source compiling of test cases between test script languages. With this, the interoperability of test cases is achieved, and seamless integration within the supply chain is possible. The developed approach uses transcompilers as a baseline. In doing so, an interoperability model for test cases is presented. Based on the interoperability model, a source-to-source compiling for test cases is shown. The outcome is a prototype that handles test script languages, which are different with respect to type safety and applied programming paradigms. The approach ensures that test cases are still understandable and usable for test reports. The evaluation confirms the translation capabilities as well as the readability of the generated test case for the high-lift scenario from aviation. The interoperability of test cases within the supply chain enables the formalisation of procedural test knowledge to be used in a broad range of future scenarios, such as test automation, digital twins and predictive maintenance.
In the era of smart devices and connected neighborhoods, the ubiquitous monitoring and care of patients are possible with the Internet of Medical Things (IoMT). Smart healthcare devices may serve ...their purpose well when they are able to share patient's data with each other. However, data formats vary widely across vendors, rendering these devices not interoperable. Recent solutions mostly rely on cloud services where a source device uploads the data, and the sink devices download it conforming to their own native formats. However, the quality of service is expected to deteriorate in a cloud processing regime with inherent network delays and traffic congestion, and the real-time data acquisition and manipulation is, therefore, not possible. This article presents MeDIC, a framework of Medical Data Interoperability through Collaboration of healthcare devices. MeDIC improves over a cloud-based IoMT by utilizing translation resources at the network edge, with its probing and translating agents. The probing agents maintain a capability list of MeDIC devices within a local network and enable one MeDIC device to request data conversion from another device when the former is not capable of this conversion by itself. The translating agent of the later then converts the data into the required format and returns it to the former. These novel agents allow IoMT devices to share their redundant computing resources for data translations in order to minimize cloud accesses. Legacy devices are supported through MeDIC-enabled, fog resource managers. We evaluate MeDIC in four use cases with rigorous simulations, which prove that this collaborative framework not only reduces the uplink traffic but also improves the response time, which is critical in real-time medical applications.
PDF
