Data-driven Efficient Solvers and Predictions of Conformational Transitions for Langevin Dynamics on Manifold in High Dimensions

We work on dynamic problems with collected data $\{\mathsf{x}_i\}$ that distributed on a manifold $\mathcal{M}\subset\mathbb{R}^p$. Through the diffusion map, we first learn the reaction coordinates $\{\mathsf{y}_i\}\subset \mathcal{N}$ where $\mathcal{N}$ is a manifold isometrically embedded into an Euclidean space $\mathbb{R}^\ell$ for $\ell \ll p$. The reaction coordinates enable us to obtain an efficient approximation for the dynamics described by a Fokker-Planck equation on the manifold $\mathcal{N}$. By using the reaction coordinates, we propose an implementable, unconditionally stable, data-driven upwind scheme which automatically incorporates the manifold structure of $\mathcal{N}$. Furthermore, we provide a weighted $L^2$ convergence analysis of the upwind scheme to the Fokker-Planck equation. The proposed upwind scheme leads to a Markov chain with transition probability between the nearest neighbor points. We can benefit from such property to directly conduct manifold-related computations such as finding the optimal coarse-grained network and the minimal energy path that represents chemical reactions or conformational changes. To establish the Fokker-Planck equation, we need to acquire information about the equilibrium potential of the physical system on $\mathcal{N}$. Hence, we apply a Gaussian Process regression algorithm to generate equilibrium potential for a new physical system with new parameters. Combining with the proposed upwind scheme, we can calculate the trajectory of the Fokker-Planck equation on $\mathcal{N}$ based on the generated equilibrium potential. Finally, we develop an algorithm to pullback the trajectory to the original high dimensional space as a generative data for the new physical system.Comment: 59 pages, 16 figure

Quantum Computer Using Coupled Quantum Dot Molecules

We propose a method for implementation of a quantum computer using artificial molecules. The artificial molecule consists of two coupled quantum dots stacked along z direction and one single electron. One-qubit and two-qubit gates are constructed by one molecule and two coupled molecules, respectively.The ground state and the first excited state of the molecule are used to encode the |0> and |1> states of a qubit. The qubit is manipulated by a resonant electromagnetic wave that is applied directly to the qubit through a microstrip line. The coupling between two qubits in a quantum controlled NOT gate is switched on (off) by floating (grounding) the metal film electrodes. We study the operations of the gates by using a box-shaped quantum dot model and numerically solving a time-dependent Schridinger equation, and demonstrate that the quantum gates can perform the quantum computation. The operating speed of the gates is about one operation per 4ps. The reading operation of the output of the quantum computer can be performed by detecting the polarization of the qubits.Comment: 18 pages, 7 figures, submitted to Jpn. J. Appl. Phys, please send your e-mail to Nan-Jian Wu <[email protected]

Observation on the adverse reactions of different concentrations of povidone-iodine applied before cataract surgery

AIM: To evaluate the efficiency and safety of 50g/L povidone-iodine solution in preventing postoperative endophthalmitis through comparing the incidence of postoperative endophthalmitis and adverse reactions after conjunctival sac washing with povidone-iodine of different concentrations.<p>METHODS: Totally 500 cataract patients were divided into 50g/L povidone-iodine group and 25g/L povidone-iodine group. All the operated eyes were observed during and after surgery.The patients' subjective discomfort was inquired and their signs of eyes were recorded. <p>RESULTS: The eye irritation of 50g/L povidone-iodine group was more significant than 25g/L povidone-iodine group. No significant difference in the corneal epithelial loss and endophthalmitis was observed between two groups.<p>CONCLUSION:Conjunctival sac washing with 50g/L povidone-iodine is an effective and safe measure to prevent endophthalmitis after cataract surgery

DragNUWA: Fine-grained Control in Video Generation by Integrating Text, Image, and Trajectory

Controllable video generation has gained significant attention in recent years. However, two main limitations persist: Firstly, most existing works focus on either text, image, or trajectory-based control, leading to an inability to achieve fine-grained control in videos. Secondly, trajectory control research is still in its early stages, with most experiments being conducted on simple datasets like Human3.6M. This constraint limits the models' capability to process open-domain images and effectively handle complex curved trajectories. In this paper, we propose DragNUWA, an open-domain diffusion-based video generation model. To tackle the issue of insufficient control granularity in existing works, we simultaneously introduce text, image, and trajectory information to provide fine-grained control over video content from semantic, spatial, and temporal perspectives. To resolve the problem of limited open-domain trajectory control in current research, We propose trajectory modeling with three aspects: a Trajectory Sampler (TS) to enable open-domain control of arbitrary trajectories, a Multiscale Fusion (MF) to control trajectories in different granularities, and an Adaptive Training (AT) strategy to generate consistent videos following trajectories. Our experiments validate the effectiveness of DragNUWA, demonstrating its superior performance in fine-grained control in video generation. The homepage link is \url{https://www.microsoft.com/en-us/research/project/dragnuwa/

Geochemical characteristics of Cambrian bitumen and Cambrian-Ordovician source rocks in the Keping area, NW Tarim Basin

The Cambrian Yuertus Formation and Ordovician Saergan and Yingan formation source rocks, which TOC contents of 0.38%–4.30%, are well developed in the Keping area of the Tarim Basin. Reservoir bitumen had been found in the Cambrian Wusongger Formation and Shayilike Formation. In this study, the geochemical characteristics of the bitumen and source rocks were analyzed through biomarkers for oil-source correlation. The results show that the characteristics of the bitumen and Yuertus Formation source rocks are similar. Comparatively, the Yuertus Formation source rocks and bitumen have lower Pr/Ph values and higher C28/C29 regular steranes values. The maturity characteristics and depositional environment of the Cambrian source rocks in the Keping area and the platform basin areas are similar. Plots of Ph/n-C18versus Pr/n-C17, Ts/(Ts+Tm) versus 4-/1-MDBT (methyl dibenzothiophene), and DBT/P (dibenzothiophene/phenanthrene) versus Pr/Ph distinguish the bitumen and source rocks well. As an original plot, we found that the Fla/Py (fluoranthene/pyrene) versus MP/P (methyl-phenanthrene/phenanthrene) intersection plot can be used to identify the possible sources of polycyclic aromatic hydrocarbons (PAHs) to a certain extent and can distinguish between the Cambrian and Ordovician source rocks in this study. Comprehensive analysis revealed that the bitumen samples most likely originated from the Yuertus Formation source rocks. It was also found that the biomarker characteristics such as the shape type of the C27-C28-C29 regular steranes, triarylosteranes, and triarylosteroids are not applicable to distinguishing the Cambrian and Ordovician source rocks in the Keping area. These research findings provide references for studying the Lower Paleozoic oil-source correlation in the platform in the Tarim Basin

The Performance of a Diesel Engine Fueled with Diesel Oil, Biodiesel and Preheated Coconut Oil

Fossil fuel crisis and depletion, environmental pollution and ever-increase in vehicle and transportation means have renewed the scientist\u27s interest in the world in order to look for potential alternative fuels, which are attractive such as biodiesel, bioethanol, DME and vegetable oils. Inedible vegetable oils such as coconut oil, Jatropha oil, linseed oil or animal fat are full of potential for using directly or manufacturing biodiesel. This work is carried out in order to study the four stroke diesel engine D240 performance characteristics fueled with preheated pure coconut oil (PCO), Jatropha oil methyl ester (JOME) and compare with diesel oil (DO). The test diesel engine performance such as power (Ne), torque (Me), specific fuel consumption (ge) and thermal efficiency (ηe) is determined, calculated and evaluated while using JOME, preheated PCO and compared to DO. The results show that, power (Ne), torque (Me) and thermal efficiency (ηe) while engine is fueled with JOME and PCO are lower, otherwise specific fuel consumption (ge) is higher than those of diesel fuel, the test engine performance are gained the best for JOME and PCO100. Keywords: biofuel, biodiesel, preheated vegetable oils, engine performance, efficiency, specific fuel consumption.Article History: Received Dec 9, 2016; Received in revised form January 28, 2017; Accepted February 4, 2017; Available onlineHow to Cite This Article: Hoang, T.A and Le,V. V. (2017). The Performance of A Diesel Engine Fueled With Diesel Oil, Biodiesel and Preheated Coconut Oil. International Journal of Renewable Energy Development, 6(1), 1-7.http://dx.doi.org/10.14710/ijred.6.1.1-

Gemcitabine enhances cell invasion via activating HAb18G/CD147-EGFR-pSTAT3 signaling

Pancreatic cancer, one of the most lethal cancers, has very poor 5-year survival partly due to gemcitabine resistance. Recently, it was reported that chemotherapeutic agents may act as stressors to induce adaptive responses and to promote chemoresistance in cancer cells. During long-term drug treatment, the minority of cancer cells survive and acquire an epithelial-mesenchymal transition phenotype with increased chemo-resistance and metastasis. However, the short-term response of most cancer cells remains unclear. This study aimed to investigate the short-term response of pancreatic cancer cells to gemcitabine stress and to explore the corresponding mechanism. Our results showed that gemcitabine treatment for 24 hours enhanced pancreatic cancer cell invasion. In gemcitabine-treated cells, HAb18G/CD147 was up-regulated; and HAb18G/CD147 down-regulation or inhibition attenuated gemcitabine-enhanced invasion. Mechanistically, HAb18G/CD147 promoted gemcitabine-enhanced invasion by activating the EGFR (epidermal growth factor receptor)-STAT3 (signal transducer and activator of transcription 3) signaling pathway. Inhibition of EGFR-STAT3 signaling counteracted gemcitabine-enhanced invasion, and which relied on HAb18G/CD147 levels. In pancreatic cancer tissues, EGFR was highly expressed and positively correlated with HAb18G/CD147. These data indicate that pancreatic cancer cells enhance cell invasion via activating HAb18G/CD147-EGFR-pSTAT3 signaling. Our findings suggest that inhibiting HAb18G/CD147 is a potential strategy for overcoming drug stress-associated resistance in pancreatic cancer

A Search for Double-peaked narrow emission line Galaxies and AGNs in the LAMOST DR1

LAMOST has released more than two million spectra, which provide the opportunity to search for double-peaked narrow emission line (NEL) galaxies and AGNs. The double-peaked narrow-line profiles can be well modeled by two velocity components, respectively blueshifted and redshifted with respect to the systemic recession velocity. This paper presents 20 double-peaked NEL galaxies and AGNs found from LAMOST DR1 using a search method based on multi-gaussian fit of the narrow emission lines. Among them, 10 have already been published by other authors, either listed as genuine double-peaked NEL objects or as asymmetric NEL objects, the remaining 10 being first discoveries. We discuss some possible origins for double-peaked narrow-line features, as interaction between jet and narrow line regions, interaction with companion galaxies and black hole binaries. Spatially resolved optical imaging and/or follow-up observations in other spectral bands are needed to further discuss the physical mechanisms at work.Comment: 17 pages, 5figures, 4 tables, accepted by RA