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Accelerating the inference of string generation-based chemical reaction models for industrial applications.
J Cheminform
March 2025
Machine Learning Research, Pfizer Research and Development, Berlin, Germany.
Transformer-based, template-free SMILES-to-SMILES translation models for reaction prediction and single-step retrosynthesis are of interest to computer-aided synthesis planning systems, as they offer state-of-the-art accuracy. However, their slow inference speed limits their practical utility in such applications. To address this challenge, we propose speculative decoding with a simple chemically specific drafting strategy and apply it to the Molecular Transformer, an encoder-decoder transformer for conditional SMILES generation.
View Article and Find Full Text PDFQuantum speed limit time in two-qubit system by dynamical decoupling method.
Sci Rep
March 2025
Faculty of Physics, University of Isfahan, Hezar Jarib, P. O. Box 81746-73441, Isfahan, Iran.
Quantum state change cannot occur instantly, but the speed of quantum evolution is limited to an upper bound value, called quantum speed limit (QSL). Understanding the quantum speed limit time (QSLT) is fundamental to advancing the control and optimization of quantum systems under decoherence. While significant progress has been made for single-qubit systems, the dynamics of two-qubit systems remain less explored.
View Article and Find Full Text PDFLongitudinal associations of carotid artery stiffness with progression of cerebrovascular disease, incident dementia and cognitive decline in older adults.
J Prev Alzheimers Dis
March 2025
Department of Pharmacology, Yong Loo Lin School of Medicine, National University of Singapore, Singapore; Memory Aging and Cognition Centre, National University Health System, Singapore; Saw Swee Hock School of Public Health, National University of Singapore and National University Health System, Singapore.
Background: Carotid artery stiffness is associated with cerebrovascular disease (CeVD) and cognitive impairment, but evidence for its longitudinal effects on progression of CeVD and cognitive decline are limited.
Objectives: To evaluate the longitudinal associations of carotid artery stiffness with CeVD progression, incident dementia, and cognitive decline.
Design: Longitudinal analyses from a memory-clinic cohort with a follow-up of 2 years.
A user-embedded temporal attention neural network for IoT trajectories prediction.
PeerJ Comput Sci
February 2025
China Telecom Research Institute, Guangzhou, Guangdong Province, China.
Over the past two decades, sequential recommendation systems have garnered significant research interest, driven by their potential applications in personalized product recommendations. In this article, we seek to explicitly model an algorithm based on Internet of Things (IoT) data to predict the next cell reached by the user equipment (UE). This algorithm exploits UE embedding and cell embedding combining the visit time interval information, and uses sliding window sampling to process more UE trajectory data.
View Article and Find Full Text PDFAssessment of superior mesenteric vascular flow quantitation in children using four-dimensional flow magnetic resonance imaging: A feasibility study.
World J Radiol
February 2025
Department of Radiology and Biomedical Imaging, University of California Benioff Children's Hospital, San Francisco, CA 94158, United States.
Background: Four-dimensional (4D) flow magnetic resonance imaging (MRI) is used as a noninvasive modality for assessing hemodynamic information with neurovascular and body applications. The application of 4D flow MRI for assessment of bowel disease in children has not been previously described.
Aim: To determine feasibility of superior mesenteric venous and arterial flow quantitation in pediatric patients using 4D flow MRI.
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