Miracle-dz/UniFAR-FTUs huggingface dataset:
Deep Generative Models Enable Navigation in Sparsely Populated Chemical Space

Deep generative models are powerful tools for the exploration of chemical space, enabling the on-demand gener- ation of molecules with desired physical, chemical, or biological properties. However, these models are typically thought to require training datasets comprising hundreds of thousands, or even millions, of molecules. This per- ception limits the application of deep generative models in regions of chemical space populated by only a small number of examples. Here, we systematically evaluate and optimize generative models of molecules for low-data settings. We carry out a series of systematic benchmarks, training more than 5,000 deep generative models and evaluating over 2.6 billion generated molecules. We find that robust models can be learned from far fewer examples than has been widely assumed. We further identify strategies that dramatically reduce the number of molecules required to learn a model of equivalent quality, and demonstrate the application of these principles by learning models of chemical structures found in bacterial, plant, and fungal metabolomes. The structure of our experiments also allows us to benchmark the metrics used to evaluate generative models themselves. We find that many of the most widely used metrics in the field fail to capture model quality, but identify a subset of well-behaved metrics that provide a sound basis for model development. Collectively, our work provides a foundation for directly learning generative models in sparsely populated regions of chemical space.
TECHNICAL AND ECONOMIC FEASIBILITY OF USING A VARIABLE-FREQUENCY DRIVE IN MICRO-IRRIGATION SYSTEMS

Irrigation is essential for the development of crops in regions with scarcity or irregular rainfall distribution, enabling high productivity. However, the use of water resources and electrical energy leads to a concern with irrigation efficiency. Pressure demand varies during the operations of irrigation systems and the appropriate pressure can be regulated by variable-frequency drives for the power supply of the motor-pump set. This study aimed to analyze the technical and economic feasibility of using a variable-frequency drive to adjust the pressure in subunits of micro-irrigation systems. Laboratory tests were carried out to determine the electrical power consumed in each irrigated subunit for different slopes and the application or not of the variable-frequency drive. Thus, an economic analysis was carried out considering the electricity tariff for group B and rural consumer class, as well as different annual irrigation times. The results showed the potential for energy saving with the use of the variable-frequency drive. Thus, the economic analysis showed that the variable-frequency drive was a better alternative than the dissipative method.
Modeling of Two-Dimensional Natural Downward Smoldering of Peat

Smoldering combustion of natural organic layers like peatlands leads to the largest fires on Earth. The multidimensional smoldering structure of peatlands is observed in the field, but the mechanism is poorly understood. In this work, a 2-D cylindrical axi-symmetric model that considers volume shrinkage is developed for the natural downward smoldering of peat with different inorganic contents. Numerical results show that the model captures the two-dimensional multisubfront structure of the peat smoldering process. For the peat with lower inorganic content, the predicted bidimensionality of wall-attachment is more obvious, the mass loss rate and the spread rate are higher, and the smoldering front is thinner. For the peat with higher inorganic content, smoldering is more sensitive to lateral heat loss. Both the inorganic content and the lateral heat loss have negative effects on the volume shrinkage, peak temperature, and in-depth spread rate. Additionally, two groups of experiments using peat samples with.
Topological-Insulator-Based Gap-Surface Plasmon Metasurfaces

Topological insulators (TIs) have unique highly conducting symmetry-protected surface states while the bulk is insulating, making them attractive for various applications in condensed matter physics. Recently, topological insulator materials have been tentatively applied for both near- and far-field wavefront manipulation of electromagnetic waves, yielding superior plasmonic properties in the ultraviolet (UV)-to-visible wavelength range. However, previous reports have only demonstrated inefficient wavefront control based on binary metasurfaces that were digitalized on a TI thin film or non-directional surface plasmon polariton (SPP) excitation. Here, we numerically demonstrated the plasmonic capabilities of the TI Bi2Te3 as a material for gap–surface plasmon (GSP) metasurfaces. By employing the principle of the geometric phase, a far-field beam-steering metasurface was designed for the visible spectrum, yielding a cross-polarization efficiency of 34% at 500 nm while suppressing the co-polarization to 0.08%. Furthermore, a birefringent GSP metasurface design was studied and found to be capable of directionally exciting SPPs depending on the incident polarization. Our work forms the basis for accurately controlling the far- and near-field responses of TI-based GSP metasurfaces in the visible spectral range.
Phase retrieval from the FTIR transmittance spectrum of thick materials with anchoring points in THz-TDS measurement

Extraction of the refractive index for optically thick and low-loss materials with a single Fourier transform infrared spectrometer (FTIR) transmittance spectrum becomes difficult with the conventional root-finding method at THz frequencies. A phase-retrieval method was proposed based on Kramers-Kronig (K-K) relations with anchoring points from independently measured transmission data in THz-TDS. Two approaches, i.e., multiply subtractive K-K relations and fast Fourier transform, were utilized to successfully obtain the phase spectrum for 3.52 mm TPX and 1.08 mm crystal quartz with two and three anchoring points, respectively. The results agree with the phase from TDS in the overlapped frequency range from 1.5 to 4.5 THz. An iterative optimization algorithm was finally employed to extract the refractive index of the two materials with amplitude and retrieved the phase spectrum of the transmitted signal within the FTIR measured frequency range.
Longitudinal Differences in Electron Temperature on Both Sides of Zero Declination Line in the Mid‐latitude Topside Ionosphere

In this study, electron temperature (Te) observations from the Defense Meteorological Satellite Program F17 and F18 spacecraft during 2010–2017 are analyzed to explore the longitudinal differences of Te in the topside ionosphere on both sides of zero geomagnetic declination lines in the northern mid‐latitude under geomagnetically weak activities (Kp ≤ 3). Te in the North American sector (45ºW–135ºW) has prominent longitudinal differences on sector scale. Te increases from the west side to east side in the morning, but vice versa in the afternoon. The relative value of longitudinal differences in Te peaks in May to August. The East Asian sector (45ºE–135ºE) of similar geomagnetic field configurations is selected for verification. There are similar local time and seasonal dependencies in the two sectors, while the intensity of longitudinal differences of Te weakens in the latter sector. The estimation of contributions to the longitudinal difference of Te from thermosphere winds provided by the empirical horizontal wind model (HWM14), peak height (hmF2) and peak density (NmF2) of the F2 layer indicates that the magnetic declination modulation effect of neutral winds at mid‐latitudes changes electron density (Ne), which indirectly changes the longitudinal difference in Te. Furthermore, the zonal wind at different local times and the seasonal variation of meridional winds may be the main effect factors of dependencies in Te longitudinal differences. The sector longitudinal differences of both geomagnetic declination and horizontal winds are possibly major reasons causing the different intensity of this characteristic in the two sectors.
Three new species of Euphorbia subgenus Chamaesyce (Euphorbiaceae) endemic to Brazil

We describe and illustrate three new species of Euphorbia subgenus Chamaesyce from Brazil: E. blepharadena O.L. M.Silva & Cordeiro sp. nov., E. longipedunculata O.L. M.Silva & Riina sp. nov. and E. sobolifera O.L. M.Silva & P.J.Braun sp. nov. Based on morphological characteristics, E. blepharadena sp. nov. and E. longipedunculata sp. nov. are placed in the subcosmopolitan section Anisophyllum, whereas E. sobolifera sp. nov. is placed in the more geographically restricted section Crossadenia. The three new species are compared with their most similar species in each section, and accompanied by comments on habitat and distribution, illustrations, photographs, and proposed conservation status.
Laparoscopic completion total gastrectomy as a standardized procedure for gastric stump cancer: a case control study

Objective Complete gastrectomy for gastric stump cancer (GSC) can be challenging due to severe adhesions; therefore, advanced techniques are required when being performed by laparoscopic surgery. This study aimed to evaluate the clinical outcomes of laparoscopic completion total gastrectomy (LCTG) for the treatment of GSC. Methods Patient records from January 2010 to October 2018 were retrospectively evaluated. The patients were classified into two groups depending on whether they underwent open or laparoscopic gastrectomy. We compared patient characteristics; operative, clinical, and pathological data between the groups. Results Twenty open and 17 LCTGs were performed. Laparoscopic gastrectomy resulted in a significantly longer operation time (230 vs. 182.5 min; p = 0.026), lower blood loss (14 vs. 105 mL; p < 0.001), and shorter period to the first flatus passage (2 vs. 3 days; p < 0.001) than open gastrectomy. No significant differences in the number of retrieved lymph nodes, duration of hospital stay, complication rate, and postoperative analgesic usage between the two groups were observed. No patients required conversion to open surgery in the laparoscopic-treatment group. Pathological findings revealed that the laparoscopic group had a smaller tumor size (not pathological T category) and fewer metastatic lymph nodes than the open group leading to an earlier distribution of the pathological stage in the laparoscopic group. Conclusions LCTG for the treatment of GSC was safely conducted with fewer complications and mortalities than previously reported results. Advanced technologies and sophistication of laparoscopic skills may further yield minimal invasiveness with better short-term outcome.
Design and process features of CMOS SOI transistors with increased tolerance to the total dose

The paper considers methods to improve integrated circuits’ tolerance based on the SOI CMOS technology to total dose radiation. The main effects that occur in SOI CMOS transistors as a result of radiation response with the VLSI are discussed. The final part of the work demonstrated the main methods that make it possible to increase the radiation hardness of ICs based on the SOI CMOS technology. The advantages and disadvantages of each technique will be discussed. The prospects for developing microelectronics products with increased tolerance to external influences will be analyzed under constant process node scaling.
Learning Gaussian Hierarchy Embedding for Relation Prediction in Knowledge Graph

Knowledge graph embedding methods, which transform high-dimensional and complex graph contents into low-dimensional vectors (or matrices, tensors) representations. They are useful for a wide range of graph analysis tasks including link prediction, node classification, recommendation and visualization. Most existing approaches represent graph nodes as vectors in a low-dimensional embedding space, ignoring the semantic hierarchy and the uncertainty present in the real-world graphs. To address this challenge, in this paper, we propose GHAKE, Gaussian Hierarchy Knowledge Graph Embedding, a novel graph embedding method that preserves both semantic hierarchy and node uncertain effectively and efficiently in an end-to-end manner. GHAKE effectively models uncertainty through Gaussian embeddings, and models semantic hierarchy via mapping entities into the polar coordinate system. In our comprehensive experiments, we evaluate GHAKE on real-world graphs, and the results demonstrate that can effectively model the semantic hierarchies and the uncertain of entities in knowledge graphs, and significantly outperforms existing state-of-the-art methods on benchmark datasets for the link prediction task.
Fine-grained image classification based on attention-guided image enhancement

Extracting distinguished fine-grained features is essential for fine-grained image recognition tasks. Many researchers use expensive manual annotations to learn to distinguish part models, which may not be possible in practical applications. Unlike previous strongly supervised fine grained classification networks that require additional image annotations, weakly supervised fine grained image classification only requires label annotations. Recently, image enhancement has been increasingly used in network structures, but random enhancement will lead to background noise and filter out irrelevant areas. In this article, we propose a weakly supervised fine-grained image classification network based on attention-guided image enhancement to study the effect of image enhancement on the classification network. In detail, we use the backbone network to generate the feature map of the image, then generate the corresponding attention map through a custom mask, and use the attention map to guide the image enhancement process (including image cropping and image dropping). We conducted experiments on three commonly used fine-grained image classification datasets, and achieved sota effects in CUB, FGVC-Aircraft, and Stanford Cars.
Are the Supreme Audit Institutions Agile? A Cognitive Orientation and Agility Measures

Purpose: Public organizations operate in a turbulent and increasingly less predictable environment. According to Wagner's law, they must meet better growing social needs, which increase as civilization progresses. Such a situation creates challenges for supreme audit institutions (SAIs), which are the most important public auditors. They must determine how the public organizations realized programs in the past and what factors may disrupt the realization of plans in the future. No one questions the public auditors' role in financial accountability and management. However, are the public auditors agile? This research aims to resolve this research question. Approach/Methodology/Design: The insights in this paper have emerged iteratively by considering both theory and the empirical case based on public auditors' database analysis and unstructured interviews with randomly selected Polish SAI auditors. Such methodology is consistent with an abductive approach. Findings: Based on available evidence, I offer the potentially radical generalization that SAI's current role is partially useless for society. Therefore, there is a need to implement an agile concept in SAI. Practical Implications: The article brings several valuable pieces of information that can be the base material and reference to further research. Study results can be a starting point of discussion and analysis on each auditor's agility, both from the public and private sectors. The twelve original and universal agile principles relating to the activity of auditors have been formulated. Originality/Value: There are several studies on SAIs; however, it is the first study, which aims to determine whether public auditors are agile, and first, where such agile principles of auditing were created.
Culture, Status, and Hypocrisy: High-Status People Who Don’t Practice What They Preach Are Viewed as Worse in the United States Than China

Status holders across societies often take moral initiatives to navigate group practices toward collective goods; however, little is known about how different societies (e.g., the United States vs. China) evaluate high- (vs. low-) status holders’ transgressions of preached morals. Two preregistered studies (total N = 1,374) examined how status information (occupational rank in Study 1 and social prestige in Study 2) influences moral judgments of norm violations, as a function of word–deed contradiction and cultural independence/interdependence. Both studies revealed that high- (vs. low-) status targets’ word–deed contradictions (vs. noncontradictions) were condemned more harshly in the United States but not China. Mediation analyses suggested that Americans attributed more, but Chinese attributed less, selfish motives to higher status targets’ word–deed contradictions. Cultural in(ter)dependence influences not only whom to confer status as norm enforcers but also whom to (not) blame as norm violators.
Formative Evaluation der Schlaganfall-Bezugstherapie Phase-E Schleswig-Holstein aus Sicht der Therapeutinnen und Therapeuten

Zusammenfassung Hintergrund Fokussierung auf Körperfunktionsstörungen, mangelnde Teilhabe-Orientierung und Leitlinienimplementierung, Sektoren- und Professionsgrenzen kennzeichnen die Schlaganfall-Rehabilitation Phase-E. Hauptproblem ist ein fehlendes Case Management mit selektiver Einzel- statt koordinierter interprofessioneller Versorgung. Kernelement des Pilotprojekts Schlaganfall-Bezugstherapie (BZT), Phase-E, ist eine Schulung zur interprofessionellen teilhabeorientierten Ziel- bzw. Therapieplanung. Als Case-Mangerinnen und Case-Manager legen Bezugstherapeutinnen und -therapeuten Art, Frequenz und Dauer der Heilmittelverordnungen fest und unterstützen Patientinnen und Patienten beim Selbstmanagement. Ziel Formative Evaluation aus Sicht der Therapeutinnen und Therapeuten, um die Intervention zu optimieren und auf weitere Regionen bzw. Krankheitsbilder auszuweiten. Methode 18 ausgebildete Bezugstherapeutinnen und -therapeuten (Ergo-, Sprach- und Physiotherapie) wurden mittels halbstandardisiertem Fragebogen-Interview zur Schulung und Tätigkeit als Bezugstherapeutinnen und -therapeuten sowie zu Veränderungsbedarfen befragt. Ergebnisse Für die Befragten gehören Fallkonferenzen und Ressourcenerfassung zu den wichtigsten Aspekten. Teilhabeorientierte Zielplanung werden als das am weitesten umgesetzte, Fallkonferenzen als das am wenigsten umgesetzte Prinzip benannt. Eine koordiniertere und patientenzentriertere Versorgung gelten ebenso als Vorteile wie eine leistungsbezogenere Vergütung, ein besserer Ressourceneinsatz durch Teilhabeorientierung und eine leichtere Integration der Bezugspersonen. Schwierigkeiten in der Zusammenarbeit mit nicht durch das BZT-Projekt geschulte Therapeutinnen und Therapeuten werden als Nachteil benannt. Schlussfolgerung Alle Befragten bewerten Schulung und Konzeption positiv und bestätigen die Wichtigkeit der teilhabeorientierten Zielplanung und Top-down-Vorgehensweise. Weitere Maßnahmen sollten dazu dienen, das Implementieren von Assessments, Leitlinien und Fallkonferenzen zu fördern. BZT besitzt Modellcharakter für das Erproben in weiteren Regionen bzw. bei weiteren Diagnosegruppen.
Hydrogen Sulfide Solubility in Ionic Liquids (ILs): An Extensive Database and a New ELM Model Mainly Established by Imidazolium-Based ILs

A database and forecasting models of the solubility of hydrogen sulfide (H2S) in ionic liquids (ILs) are important for the industrial processes of gas sweetening. However, the specialized H2S solubility database and accurate predictive models are scarce at present. Therefore, this study first established a comprehensive database on the solubility of H2S in ILs, which includes 1334 pieces of data covering the period from 2007 to 2016. On the basis of the database, a new model is proposed using an extreme learning machine (ELM) intelligence algorithm and the number of fragments, which are easy to obtain and thus eliminate the need to use experimental data as input parameters. A total of 1282 pieces of data for 27 ILs (including 23 imidazolium-based and four ammonium-based ILs) have been used to build and test the model. The coefficient of determination (R2) and root-mean-square error (RMSE) of the ELM model for the test set are 0.990 and 0.0301, respectively. The results show that the established ELM model .
AMAZonn (A Multicollinearity-adjusted Adaptive LASSO for Zero-infated Count Regression) with Weight of Expectation Maximization Standard Error Adaptive LASSO (SEAL AL) for Zero Inflated Poisson Data

Lasso as selecting predictor variables continue to experience development like an adaptive Lasso which gives weight value in its formula. In a modelling case, variables selecting technique is needed in order to get a stable model, however, multicollinear cases are often found in several cases which caused the models obtained are unstable since the values of variance became large. Besides, data counting on response variable, with the presence of excess zero, causes the linear model cannot be applied, hence, using generalized linier modelling with zero inflated poisson (ZIP) model can become the solution. Thus, in this research, ZIP model will be applied after selecting the variables through AMAZoon (A Multicollinearity-adjusted Adaptive LASSO for Zero-infated Count Regression) with Weight of Expectation Maximization Standard Error Adaptive LASSO (SEAL AL), and the comparison towards the results gained by ZIP model without prior variables selection will be done. The comparison was seen based on the value of the smallest Akaike Information Criterion (AIC). The data analysis revealed that there was multicollinear case in the data, and also ZIP model, after conducting the variables selection by using AMAZoon with Weigth SEAL AL, reached smaller AIC than ZIP model which having no variable selection. Therefore, ZIP model after the selection of variables by using AMAZoon with Weight of SEAL AL was better to be used when multicollinear happened.
A highly ordered radiative state in a 2D electron system

A two-dimensional (2D) electron system in a perpendicular magnetic field acts like a macroscopic strongly correlated source of radiation with inherent temporal and spatial correlations. The formation of the correlated macroscopic state of 2D electrons passes through uniform and nonuniform states of the electron subsystem. These are reflected in two types of noise of photoresponse in the 2D system. The strange attractor character‐ ized by small-sized dynamics in the phase space of a photoluminescence of 2D elec‐ trons is revealed.