Stein Variational Gradient Descent with Multiple Kernel

Stein variational gradient descent (SVGD) and its variants have shown promising successes in approximate inference for complex distributions. In practice, we notice that the kernel used in SVGD-based methods has a decisive effect on the empirical performance. Radial basis function (RBF) kernel with median heuristics is a common choice in previous approaches, but unfortunately this has proven to be sub-optimal. Inspired by the paradigm of Multiple Kernel Learning (MKL), our solution to this flaw is using a combination of multiple kernels to approximate the optimal kernel, rather than a single one which may limit the performance and flexibility. Specifically, we first extend Kernelized Stein Discrepancy (KSD) to its multiple kernels view called Multiple Kernelized Stein Discrepancy (MKSD) and then leverage MKSD to construct a general algorithm Multiple Kernel SVGD (MK-SVGD). Further, MKSVGD can automatically assign a weight to each kernel without any other parameters, which means that our method not only gets rid of optimal kernel dependence but also maintains computational efficiency. Experiments on various tasks and models demonstrate that our proposed method consistently matches or outperforms the competing methods

Understanding the Role of Coordinatively Unsaturated Al3+ Sites on Nanoshaped Al2O3 for Creating Uniform Ni–Cu Alloys for Selective Hydrogenation of Acetylene

Acknowledgments This work was financially supported by the National Key R&D Program of China (2021YFB3801600), the National Natural Science Foundation of China (22218017), and the Fundamental Research Funds for the Central Universities (buctrc201921, JD2223). We acknowledge the Beijing Synchrotron Radiation Facility (BSRF) for providing the experimental resources for XAS experiments.Peer reviewedPostprin

Variations in the reproductive strategies of three populations of Phrynocephalus helioscopus in China

Background Egg size and clutch size are key life history traits. During the breeding period, it is possible for females to increase their reproductive output either by increasing the number of eggs if the optimal egg size (OES) is maintained, or by increasing the allocation of energy to each egg. However, the strategies adopted are often influenced by animals’ morphology and environment. Methods Here, we examined variation in female morphological and reproductive traits, tested for trade-offs between egg size and clutch size, and evaluated the relationship between egg size and female morphology in three populations of Phrynocephalus helioscopus. Results Female body size, egg size, and clutch size were larger in the Yi Ning (YN) and Fu Yun (FY) populations than in the Bei Tun (BT) population (the FY and YN populations laid more, and rounder eggs). Egg size was independent of female body size in two populations (BT and FY), even though both populations had an egg-size/clutch size trade-off. In the YN population, egg size and clutch size were independent, but egg size was correlated with female body size, consistent with the hypothesis of morphological constraint. Conclusions Our study found geographical variation in body size and reproductive strategies of P. helioscopus. Egg size was correlated with morphology in the larger-bodied females of the YN population, but not in the smaller-bodied females of the BT population, illustrating that constraints on female body size and egg size are not consistent between populations

Improvement of oral availability of ginseng fruit saponins by a proliposome delivery system containing sodium deoxycholate

AbstractGinseng fruit saponins (GFS) extracted from the ginseng fruit are the bioactive triterpenoid saponin components. The aim of the present study was to develop a drug delivery system called proliposome using sodium deoxycholate (NaDC) as a bile salt to improve the oral bioavailability of GFS in rats. The liposomes of GFS were prepared by a conventional ethanol injection and formed the solid proliposomes (P-GFS) using spray drying method on mannitol carriers. The formulation of P-GFS was optimized using the response surface methodology. The physicochemical properties of liposome suspensions including encapsulation efficiency, in vitro drug release studies, particle size of the reconstituted liposome were tested. The solid state characterization studies using the method of Field emission-scanning electron microscope (FE-SEM), Fourier transform infrared (FT-IR) and Differential scanning colorimetric (DSC) were tested to study the molecular state of P-GFS and to indicate the interactions among the formulation ingredients. In vitro studies showed a delayed release of ginsenoside Re (GRe). In vivo studies were carried out in rats. The concentrations of GRe in plasma of rats and its pharmacokinetic behaviors after oral administration of GFS, Zhenyuan tablets (commercial dosage form of GFS) and P-GFS were studied using ultra performance liquid chromatography tandem mass spectrometry. It was founded that the GRe concentration time curves of GFS, Zhenyuan tablets and P-GFS were much more different in rats. Pharmacokinetic behaviors of P-GFS showed a second absorption peak on the concentration time curve. The pharmacokinetic parameters of GFS, Zhenyuan tablets, P-GFS in rats were separately listed as follows: T max 0.25h, C max 474.96±66.06ng/ml and AUC0−∞ 733.32±113.82ng/mlh for GFS; T max 0.31±0.043h, C max 533.94±106.54ng/ml and AUC0−∞ 1151.38±198.29ng/mlh for Zhenyuan tablets; T max 0.5h, C max 680.62±138.051ng/ml and AUC0−∞ 2082.49±408.33ng/mlh for the P-GFS. The bioavailability of P-GFS was nearly 284% and 181% of the GFS and Zhengyuan tablets respectively. In conclusion, the proliposomes significantly enhanced the drug bioavailability, absorption in the gastrointestinal tract and decreased its elimination time of GRe in rats and could be selectively applied for oral delivery of GFS

Kinetics and Mechanism Study of Competitive Inhibition of Jack-Bean Urease by Baicalin

Baicalin (BA) is the principal component of Radix Scutellariae responsible for its pharmacological activity. In this study, kinetics and mechanism of inhibition by BA against jack-bean urease were investigated for its therapeutic potential. It was revealed that the IC50 of BA against jack-bean urease was 2.74 ± 0.51 mM, which was proved to be a competitive and concentration-dependent inhibition with slow-binding progress curves. The rapid formation of initial BA-urease complex with an inhibition constant of Ki=3.89 × 10−3 mM was followed by a slow isomerization into the final complex with an overall inhibition constant of Ki*=1.47×10-4 mM. High effectiveness of thiol protectors against BA inhibition indicated that the strategic role of the active-site sulfhydryl group of the urease was involved in the blocking process. Moreover, the inhibition of BA was proved to be reversible due to the fact that urease could be reactivated by dithiothreitol but not reactant dilution. Molecular docking assay suggested that BA made contacts with the important activating sulfhydryl group Cys-592 residues and restricted the mobility of the active-site flap. Taken together, it could be deduced that BA was a competitive inhibitor targeting thiol groups of urease in a slow-binding manner both reversibly and concentration-dependently, serving as a promising urease inhibitor for treatments on urease-related diseases

Comparative study on appropriate drought and flood index selection in a tropical farming island in China

The traditional drought and flood analysis method had not fully considered the proportion analysis of different drought and flood grades in the historical years of each rainfall station. This made results unconvincing and made it difficult to deeply understand the characteristics and applicability of various methods. Based on the daily rainfall data of 88 stations in Hainan Island from 1970 to 2019, the China-Z index and the Standardized Precipitation Index (SPI) were used to compare and analyze the spatial and temporal distribution characteristics of droughts and floods from three different time scales (flood season, non-flood season and the whole year). The results showed that both SPI and China-Z index can well reflect the actual drought and flood situations in Hainan Island. The analysis of the proportions of different drought and flood grades in the historical years of each rainfall station and regional historical drought and flood statistics suggested that the China-Z index had a better indication effect than SPI on the extreme drought and flood grades. The alternation of drought and flood between different eras were obvious. Hainan Island generally presented an east-west reverse drought-flood variation trend, as well as a north-south reverse drought-flood variation trend. The drought and flood in the central mountainous area of Hainan Island had been relatively stable. The distribution pattern of drought and flood had a good spatial consistency in the three periods. On the whole, Hainan Island had shown a trend of flood in the east and drought in the west in the past 50 years

Pulmonary Embolism Incidence and Fatality Trends in Chinese Hospitals from 1997 to 2008: A Multicenter Registration Study

BACKGROUND: There has not been sufficient evidence to support the Asians being less susceptible to pulmonary embolism (PE) than other ethnicities, because the prevalence of PE/deep venous thrombosis (DVT) in different racial and ethnic groups has not been carefully studied until recently except in Caucasians. To test the hypothesis that the Chinese population has a lower risk for PE, this study comprehensively assessed the hospital-based incidence and case fatality rates for PE during the 1997-2008 in China. METHODS: A registration study of patients with suspected PE syndromes admitted to 60 level-3 hospitals involved in the National Cooperative Project for the Prevention and Treatment of Venous Thromboembolism (NCPPT) was conducted from January 1997 to December 2008. The only exclusion criterion was an age of less than 18 years. Helical computed tomography scan, ventilation-perfusion lung scintigraphy or pulmonary angiography was carried out before or after hospitalization. All images were reviewed and evaluated independently by two specialists. RESULTS: A total of 18,206 patients were confirmed with PE from 16,972,182 hospital admissions. The annual incidence was 0.1% (95% CI: 0.1% to 0.2%). The overall incidence of PE in male patients (0.2%, 95% CI: 0.1% to 0.3%) was higher than that in female patients (0.1% and 95% CI: 0.0% to 0.1%). An increasing incidence gradient for PE was noticed from Southern to Northern China. In addition, the case fatality rate was apparently decreasing: 25.1% (95% CI: 16.2% to 36.9%) in 1997 to 8.7% (95% CI: 3.5% to 15.8%) in 2008. CONCLUSIONS: Our findings suggest the relatively stable PE incidence and decreasing fatality trends in Chinese hospitals may be partially attributable to the implementation of the NCCPT and suggest the government should reevaluate the severity of PE so that health resources for the prevention, diagnosis and treatment of PE could be used to their fullest