In this study, we present a question answering (QA) system for chemistry, named Marie, with the use of a text-to-text pretrained language model to attain accurate data retrieval. The underlying data store is "The World Avatar" (TWA), a general world model consisting of a knowledge graph that evolves over time. TWA includes information about chemical species such as their chemical and physical properties, applications, and chemical classifications. Building upon our previous work on KGQA for chemistry, this advanced version of Marie leverages a fine-tuned Flan-T5 model to seamlessly translate natural language questions into SPARQL queries with no separate components for entity and relation linking. The developed QA system demonstrates competence in providing accurate results for complex queries that involve many relation hops as well as showcasing the ability to balance correctness and speed for real-world usage. This new approach offers significant advantages over the prior implementation that relied on knowledge graph embedding. Specifically, the updated system boasts high accuracy and great flexibility in accommodating changes and evolution of the data stored in the knowledge graph without necessitating retraining. Our evaluation results underscore the efficacy of the improved system, highlighting its superior accuracy and the ability in answering complex questions compared to its predecessor.
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http://dx.doi.org/10.1021/acsomega.3c08842 | DOI Listing |
Sensors (Basel)
January 2025
School of Computer Science, South China Normal University, Guangzhou 510555, China.
Multivariate time series anomaly detection (MTSAD) can effectively identify and analyze anomalous behavior in complex systems, which is particularly important in fields such as financial monitoring, industrial equipment fault detection, and cybersecurity. MTSAD requires simultaneously analyze temporal dependencies and inter-variable relationships have prompted researchers to develop specialized deep learning models to detect anomalous patterns. In this paper, we conducted a structured and comprehensive overview of the latest techniques in deep learning for multivariate time series anomaly detection methods.
View Article and Find Full Text PDFMolecules
December 2024
Department of Medicinal Chemistry, School of Pharmacy, Fudan University, 826 Zhangheng Road, Shanghai 201203, China.
As an appealing approach for discovering novel leads, the key advantage of de novo drug design lies in its ability to explore a much broader dimension of chemical space, without being confined to the knowledge of existing compounds. So far, many generative models have been described in the literature, which have completely redefined the concept of de novo drug design. However, many of them lack practical value for real-world drug discovery.
View Article and Find Full Text PDFNeural Netw
January 2025
College of Computer Science and Software Engineering, Shenzhen University, Shenzhen, 518060, China; Guangdong Key Laboratory of Intelligent Information Processing, Shenzhen University, Shenzhen, 518060, China. Electronic address:
Hum Brain Mapp
January 2025
Center for MR Research, University Children's Hospital Zurich, Zurich, Switzerland.
The human brain connectome is characterized by the duality of highly modular structure and efficient integration, supporting information processing. Newborns with congenital heart disease (CHD), prematurity, or spina bifida aperta (SBA) constitute a population at risk for altered brain development and developmental delay (DD). We hypothesize that, independent of etiology, alterations of connectomic organization reflect neural circuitry impairments in cognitive DD.
View Article and Find Full Text PDFHeliyon
January 2025
Tongji University, College of Design and Innovation, Shanghai, China.
The study of everyday life has garnered significant research attention in various disciplines. However, in the field of design history, the exploration of everyday life remains in its early stages. There is a need for further organization and analysis, as there is currently no comprehensive exposition on the overall research progress in this field.
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