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Data-Driven Improvement of Local Hybrid Functionals: Neural-Network-Based Local Mixing Functions and Power-Series Correlation Functionals.
J Chem Theory Comput
January 2025
Technische Universitát Berlin, Institut für Chemie, Theoretische Chemie/Quantenchemie, Sekr. C7, Straße des 17. Juni 135, Berlin D-10623, Germany.
Local hybrid functionals (LHs) use a real-space position-dependent admixture of exact exchange (EXX), governed by a local mixing function (LMF). The systematic construction of LMFs has been hampered over the years by a lack of exact physical constraints on their valence behavior. Here, we exploit a data-driven approach and train a new type of "n-LMF" as a relatively shallow neural network.
View Article and Find Full Text PDFSeverity of Impaired Oxygenation and Conservative Oxygenation Targets in Mechanically Ventilated Children: A Post Hoc Subgroup Analysis of the Oxy-PICU Trial of Conservative Oxygenation.
Pediatr Crit Care Med
January 2025
Paediatric Intensive Care Unit, Great Ormond Street Hospital for Children NHS Foundation Trust and NIHR Biomedical Research Centre, London, United Kingdom.
Objectives: A conservative oxygenation strategy is recommended in adult and pediatric guidelines for the management of acute respiratory distress syndrome to reduce iatrogenic lung damage. In the recently reported Oxy-PICU trial, targeting peripheral oxygen saturations (Spo2) between 88% and 92% was associated with a shorter duration of organ support and greater survival, compared with Spo2 greater than 94%, in mechanically ventilated children following unplanned admission to PICU. We investigated whether this benefit was greater in those who had severely impaired oxygenation at randomization.
View Article and Find Full Text PDFKnowledge, interest and perspectives on Artificial Intelligence in Neurosurgery. A global survey.
Brain Spine
December 2024
Section of Neurosurgery, Department of Neurosciences, Biomedicine and Movement Sciences, University of Verona, Verona, Italy.
Introduction: Artificial Intelligence (AI) applications in healthcare are growing exponentially. The field of neurosurgery is particularly suited to implement AI solutions given its technology-driven nature. It is of paramount importance to understand the basics of AI to make informed decision on how to shape current and future applications.
View Article and Find Full Text PDFEvaluation of artificial intelligence-based autosegmentation for a high-performance cone-beam computed tomography imaging system in the pelvic region.
Phys Imaging Radiat Oncol
January 2025
Department of Radiotherapy, Erasmus MC Cancer Institute, University Medical Center Rotterdam, Rotterdam, The Netherlands.
Background And Purpose: A novel ring-gantry cone-beam computed tomography (CBCT) imaging system shows improved image quality compared to its conventional version, but its effect on autosegmentation is unknown. This study evaluates the impact of this high-performance CBCT on autosegmentation performance, inter-observer variability, contour correction times and delineation confidence, compared to the conventional CBCT.
Materials And Methods: Twenty prostate cancer patients were enrolled in this prospective clinical study.
Highly effective batch effect correction method for RNA-seq count data.
Comput Struct Biotechnol J
December 2024
Department of Computer Science and Information Science, California State University San Marcos, 333 S. Twin Oaks Valley Rd, San Marcos, CA 92096, USA.
RNA sequencing (RNA-seq) has become a cornerstone of transcriptomics, providing detailed insights into gene expression across diverse biological conditions and sample types. However, RNA-seq data are often confounded by batch effects, systematic non-biological variations that compromise data reliability and obscure true biological differences. To address these challenges, we introduce ComBat-ref, a refined batch effect correction method designed to enhance the statistical power and reliability of differential expression analysis in RNA-seq data.
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