MUBen: Benchmarking the Uncertainty of Pre-Trained Models for Molecular Property Prediction

Large Transformer models pre-trained on massive unlabeled molecular data have shown great success in predicting molecular properties. However, these models can be prone to overfitting during fine-tuning, resulting in over-confident predictions on test data that fall outside of the training distribution. To address this issue, uncertainty quantification (UQ) methods can be used to improve the models' calibration of predictions. Although many UQ approaches exist, not all of them lead to improved performance. While some studies have used UQ to improve molecular pre-trained models, the process of selecting suitable backbone and UQ methods for reliable molecular uncertainty estimation remains underexplored. To address this gap, we present MUBen, which evaluates different combinations of backbone and UQ models to quantify their performance for both property prediction and uncertainty estimation. By fine-tuning various backbone molecular representation models using different molecular descriptors as inputs with UQ methods from different categories, we critically assess the influence of architectural decisions and training strategies. Our study offers insights for selecting UQ and backbone models, which can facilitate research on uncertainty-critical applications in fields such as materials science and drug discovery

SUR-FeatNet: Predicting the Satisfied User Ratio Curve for Image Compression with Deep Feature Learning

The file attached to this record is the author's final peer reviewed version.The satisfied user ratio (SUR) curve for a lossy image compression scheme, e.g., JPEG, characterizes the complementary cumulative distribution function of the just noticeable difference (JND), the smallest distortion level that can be perceived by a subject when a reference image is compared to a distorted one. A sequence of JNDs can be defined with a suitable successive choice of reference images. We propose the first deep learning approach to predict SUR curves. We show how to apply maximum likelihood estimation and the Anderson-Darling test to select a suitable parametric model for the distribution function. We then use deep feature learning to predict samples of the SUR curve and apply the method of least squares to fit the parametric model to the predicted samples. Our deep learning approach relies on a siamese convolutional neural network, transfer learning, and deep feature learning, using pairs consisting of a reference image and a compressed image for training. Experiments on the MCL-JCI dataset showed state-of-the-art performance. For example, the mean Bhattacharyya distances between the predicted and ground truth first, second, and third JND distributions were 0.0810, 0.0702, and 0.0522, respectively, and the corresponding average absolute differences of the peak signal-to-noise ratio at a median of the first JND distribution were 0.58, 0.69, and 0.58 dB. Further experiments on the JND-Pano dataset showed that the method transfers well to high resolution panoramic images viewed on head-mounted displays

MYH9 is an Essential Factor for Porcine Reproductive and Respiratory Syndrome Virus Infection

Porcine reproductive and respiratory syndrome (PRRS) caused by the PRRS virus (PRRSV) is an important swine disease worldwide. PRRSV has a limited tropism for certain cells, which may at least in part be attributed to the expression of the necessary cellular molecules serving as the virus receptors or factors on host cells for virus binding or entry. However, these molecules conferring PRRSV infection have not been fully characterized. Here we show the identification of non-muscle myosin heavy chain 9 (MYH9) as an essential factor for PRRSV infection using the anti-idiotypic antibody specific to the PRRSV glycoprotein GP5. MYH9 physically interacts with the PRRSV GP5 protein via its C-terminal domain and confers susceptibility of cells to PRRSV infection. These findings indicate that MYH9 is an essential factor for PRRSV infection and provide new insights into PRRSV-host interactions and viral entry, potentially facilitating development of control strategies for this important swine disease

Prevalence, associated factors and outcomes of pressure injuries in adult intensive care unit patients: the DecubICUs study

Funder: European Society of Intensive Care Medicine; doi: http://dx.doi.org/10.13039/501100013347Funder: Flemish Society for Critical Care NursesAbstract: Purpose: Intensive care unit (ICU) patients are particularly susceptible to developing pressure injuries. Epidemiologic data is however unavailable. We aimed to provide an international picture of the extent of pressure injuries and factors associated with ICU-acquired pressure injuries in adult ICU patients. Methods: International 1-day point-prevalence study; follow-up for outcome assessment until hospital discharge (maximum 12 weeks). Factors associated with ICU-acquired pressure injury and hospital mortality were assessed by generalised linear mixed-effects regression analysis. Results: Data from 13,254 patients in 1117 ICUs (90 countries) revealed 6747 pressure injuries; 3997 (59.2%) were ICU-acquired. Overall prevalence was 26.6% (95% confidence interval [CI] 25.9–27.3). ICU-acquired prevalence was 16.2% (95% CI 15.6–16.8). Sacrum (37%) and heels (19.5%) were most affected. Factors independently associated with ICU-acquired pressure injuries were older age, male sex, being underweight, emergency surgery, higher Simplified Acute Physiology Score II, Braden score 3 days, comorbidities (chronic obstructive pulmonary disease, immunodeficiency), organ support (renal replacement, mechanical ventilation on ICU admission), and being in a low or lower-middle income-economy. Gradually increasing associations with mortality were identified for increasing severity of pressure injury: stage I (odds ratio [OR] 1.5; 95% CI 1.2–1.8), stage II (OR 1.6; 95% CI 1.4–1.9), and stage III or worse (OR 2.8; 95% CI 2.3–3.3). Conclusion: Pressure injuries are common in adult ICU patients. ICU-acquired pressure injuries are associated with mainly intrinsic factors and mortality. Optimal care standards, increased awareness, appropriate resource allocation, and further research into optimal prevention are pivotal to tackle this important patient safety threat

Correction to: Prevalence, associated factors and outcomes of pressure injuries in adult intensive care unit patients: the DecubICUs study

The original version of this article unfortunately contained a mistake

Prevalence, associated factors and outcomes of pressure injuries in adult intensive care unit patients: the DecubICUs study

Funder: European Society of Intensive Care Medicine; doi: http://dx.doi.org/10.13039/501100013347Funder: Flemish Society for Critical Care NursesAbstract: Purpose: Intensive care unit (ICU) patients are particularly susceptible to developing pressure injuries. Epidemiologic data is however unavailable. We aimed to provide an international picture of the extent of pressure injuries and factors associated with ICU-acquired pressure injuries in adult ICU patients. Methods: International 1-day point-prevalence study; follow-up for outcome assessment until hospital discharge (maximum 12 weeks). Factors associated with ICU-acquired pressure injury and hospital mortality were assessed by generalised linear mixed-effects regression analysis. Results: Data from 13,254 patients in 1117 ICUs (90 countries) revealed 6747 pressure injuries; 3997 (59.2%) were ICU-acquired. Overall prevalence was 26.6% (95% confidence interval [CI] 25.9–27.3). ICU-acquired prevalence was 16.2% (95% CI 15.6–16.8). Sacrum (37%) and heels (19.5%) were most affected. Factors independently associated with ICU-acquired pressure injuries were older age, male sex, being underweight, emergency surgery, higher Simplified Acute Physiology Score II, Braden score 3 days, comorbidities (chronic obstructive pulmonary disease, immunodeficiency), organ support (renal replacement, mechanical ventilation on ICU admission), and being in a low or lower-middle income-economy. Gradually increasing associations with mortality were identified for increasing severity of pressure injury: stage I (odds ratio [OR] 1.5; 95% CI 1.2–1.8), stage II (OR 1.6; 95% CI 1.4–1.9), and stage III or worse (OR 2.8; 95% CI 2.3–3.3). Conclusion: Pressure injuries are common in adult ICU patients. ICU-acquired pressure injuries are associated with mainly intrinsic factors and mortality. Optimal care standards, increased awareness, appropriate resource allocation, and further research into optimal prevention are pivotal to tackle this important patient safety threat

Predicting Sub-Forest Type Transition Characteristics Using Canopy Density: An Analysis of the Ganjiang River Basin Case Study

In the process of societal development, forest land categories often conflict with other land use types, leading to impacts on the ecological environment. Therefore, research on changes in forest land categories has increasingly become a globally focused topic. To anticipate potential forest ecological security issues under urbanization trends, studies on regional land use simulation become more important. This paper, based on land use data from the Ganjiang River basin, analyzes the distribution characteristics and changing trends of land use types from 2000 to 2020. Using the CA-Markov model, it predicts the land use pattern of the basin in 2040 and analyzes the transfer characteristics of forest land categories. The conclusions indicate that, between 2000 and 2020, the most significant trend in land use evolution was the transfer between various subcategories of forest land, especially frequent in the high-altitude mountainous areas in the southern and western parts of the basin. The land use pattern prediction model constructed in this paper has a kappa index of 0.92, indicating high accuracy and reliability of the predictions. In 2040, the most significant land evolution phenomenon would be from forest land to arable land to construction land, particularly pronounced around large cities. Over the next 20 years, the focus of land use evolution may shift from the southern part of the basin to the central and northern parts, with urban expansion possibly becoming the main driving force of land use changes during this period. Forest land restoration work is an effective method to compensate for the loss of forest land area in the Ganjiang River basin, with key areas for such work including Longnan, Yudu, Xingguo, Ningdu, Lianhua, and Yongxin counties

Construction and Application of Indoor Video Surveillance System Based on Human Activity Recognition

With the growth of building monitoring network, increasing human resource and funds have been invested into building monitoring system. Computer vision technology has been widely used in image recognition recently, and this technology has also been gradually applied to action recognition. There are still many disadvantages of traditional monitoring system. In this paper, a human activity recognition system which based on the convolution neural network is proposed. Using the 3D convolution neural network and the transfer learning technology, the human activity recognition engine is constructed. The Spring MVC framework is used to build the server end, and the system page is designed in HBuilder. The system not only enhances efficiency and functionality of building monitoring system, but also improves the level of building safety

Construction and Application of Indoor Video Surveillance System Based on Human Activity Recognition

With the growth of building monitoring network, increasing human resource and funds have been invested into building monitoring system. Computer vision technology has been widely used in image recognition recently, and this technology has also been gradually applied to action recognition. There are still many disadvantages of traditional monitoring system. In this paper, a human activity recognition system which based on the convolution neural network is proposed. Using the 3D convolution neural network and the transfer learning technology, the human activity recognition engine is constructed. The Spring MVC framework is used to build the server end, and the system page is designed in HBuilder. The system not only enhances efficiency and functionality of building monitoring system, but also improves the level of building safety