Miracle-dz/UniFAR-FTUs huggingface dataset:
Increasing performance of electric vehicles in ride-hailing services using deep reinforcement learning

New forms of on-demand transportation such as ride-hailing and connected autonomous vehicles are proliferating, yet are a challenging use case for electric vehicles (EV). This paper explores the feasibility of using deep reinforcement learning (DRL) to optimize a driving and charging policy for a ride-hailing EV agent, with the goal of reducing costs and emissions while increasing transportation service provided. We introduce a data-driven simulation of a ride-hailing EV agent that provides transportation service and charges energy at congested charging infrastructure. We then formulate a test case for the sequential driving and charging decision making problem of the agent and apply DRL to optimize the agent's decision making policy. We evaluate the performance against hand-written policies and show that our agent learns to act competitively without any prior knowledge.
Multiphysics Modeling of Plasmonic Photoconductive Devices using Discontinuous Galerkin Methods

The research reported in this publication is supported by the King Abdullah University of Science and Technology (KAUST) Office ofSponsored Research (OSR) under Award No 2016-CRG5-2953. Furthermore, the authors would like to thank the KAUST Supercomputing Laboratory (KSL) for providing the required computational resources.
Vstat120 modulates inhibits oncolytic viral therapy induced angiogenesis and innate pro-inflamatory response, augmenting oncolytic viral thereapy of glioblastom multiforme

ii Dedication iv Acknowledgments v Vita vi List of Tables xi List of Figures xiii Chapter 1: Introduction 1 1.1 Glioblastoma multiforme development and prognosis 1 1.2 Angiogenesis and GBMs 3 1.3 Microglia and GMBs 4 1.4 Brain angiogenesis inhibitor-1 6 1.5 Oncolytic Viruses 7 1.6 Hypothesis and overview of Chapters 2-4 10 1.7 Figures and Tables 11 Chapter 2: Effect of Tumor Microenvironment Modulation on the Efficacy of Oncolytic Virus Therapy 12 ix 2.
A Probabilistic Framework and a Homotopy Method for Real-time Hierarchical Freight Dispatch Decisions

We propose a real-time decision framework for multimodal freight dispatch through a system of hierarchical hubs, using a probabilistic model for transit times. Instead of assigning a fixed time to each transit, we advocate using historical records to identify characteristics of the probability density function for each transit time. We formulate a nonlinear optimization problem that defines dispatch decisions that minimize expected cost, using this probabilistic information. Finally, we propose an effective homotopy algorithm that (empirically) outperforms standard optimization algorithms on this problem by taking advantage of its structure, and we demonstrate its effectiveness on numerical examples.
1-[(2-Methylpiperidin-1-yl)(phenyl)methyl]naphthalen-2-ol

In the title compound, C23H25NO, an intramolecular O—H⋯N hydrogen bond defines the molecular conformation; the naphthol mean plane and the benzene ring form a dihedral angle of 75.8 (2)°. The piperidine ring adopts a chair conformation. The crystal packing exhibits no short intermolecular contacts.
Dynamical Primal-Dual Accelerated Method with Applications to Network Optimization

This paper develops a continuous-time primal-dual accelerated method with an increasing damping coefficient for a class of convex optimization problems with affine equality constraints.We then analyze critical values for parameters in the proposed method and prove that the rate of convergence is $O(\frac{1}{t^2})$ by choosing proper parameters. As far as we know, this is the first continuous-time primal-dual accelerated method that can obtain the optimal rate. Then this work applies the proposed method to two network optimization problems, a distributed optimization problem with consensus constraints and a distributed extended monotropic optimization problem, and obtains two variant distributed algorithms. Finally, numerical simulations are given to demonstrate the efficacy of the proposed method.
4-(4-Bromophenyl)-1-(2,6-difluorobenzyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione

In the title compound, C24H20BrF2N3O3S, the triazole ring (r.m.s. deviation = 0.0107 Å) makes dihedral angles of 28.18 (14), 63.76 (14) and 77.01 (18)°, respectively, with the trimethoxy-, bromo-, and difluoro-substituted benzene rings. The C atoms of the meta methoxy groups are roughly coplanar with their ring [displacements = −0.289 (4) and 0.083 (7) Å], whereas the C atom of the para group is displaced [1.117 (3) Å]. In the crystal, inversion dimers linked by two pairs of C—H⋯O hydrogen bonds occur. The ring motif of the two hydrogen bonds to their symmetry-generated O-atom acceptors is R 2 2(8).
Sequential Model Optimization for Software Process Control

Many methods have been proposed to estimate how much effort is required to build and maintain software. Much of that research assumes a ``classic'' waterfall-based approach rather than contemporary projects (where the developing process may be more iterative than linear in nature). Also, much of that work tries to recommend a single method-- an approach that makes the dubious assumption that one method can handle the diversity of software project data. To address these drawbacks, we apply a configuration technique called ``ROME'' (Rapid Optimizing Methods for Estimation), which uses sequential model-based optimization (SMO) to find what combination of effort estimation techniques works best for a particular data set. We test this method using data from 1161 classic waterfall projects and 120 contemporary projects (from Github). In terms of magnitude of relative error and standardized accuracy, we find that ROME achieves better performance than existing state-of-the-art methods for both classic and contemporary problems. In addition, we conclude that we should not recommend one method for estimation. Rather, it is better to search through a wide range of different methods to find what works best for local data. To the best of our knowledge, this is the largest effort estimation experiment yet attempted and the only one to test its methods on classic and contemporary projects.
Flattened Exponential Histogram for Sliding Window Queries over Data Streams

The Basic Counting problem [1] is one of the most fundamental and critical streaming problems of sliding window queries over data streams. Given a stream of 0's and 1's, the purpose of this problem is to estimate the number of 1's in the last N elements (or time units) seen from the stream. Its solution can be used as building blocks to solve numerous more complex problems such as heavy hitter, frequency estimation, distinct counting, etc. In this paper, we present the flattened exponential histogram (FEH) model for the Basic Counting problem. Our model improves over the exponential histogram [1], [2], a well-received deterministic technique for Basic Counting problem, with respect to accuracy and memory utilization most of the time in practice. Extensive experimental results on real-world datasets show that with the same memory footprint, the accuracy of our model is between 4 to 15 and on average 7 times better than that of the exponential histogram, while the speed is roughly the same.
Learning Sparse Representations Incrementally in Deep Reinforcement Learning

Sparse representations have been shown to be useful in deep reinforcement learning for mitigating catastrophic interference and improving the performance of agents in terms of cumulative reward. Previous results were based on a two step process were the representation was learned offline and the action-value function was learned online afterwards. In this paper, we investigate if it is possible to learn a sparse representation and the action-value function simultaneously and incrementally. We investigate this question by employing several regularization techniques and observing how they affect sparsity of the representation learned by a DQN agent in two different benchmark domains. Our results show that with appropriate regularization it is possible to increase the sparsity of the representations learned by DQN agents. Moreover, we found that learning sparse representations also resulted in improved performance in terms of cumulative reward. Finally, we found that the performance of the agents that learned a sparse representation was more robust to the size of the experience replay buffer. This last finding supports the long standing hypothesis that the overlap in representations learned by deep neural networks is the leading cause of catastrophic interference.
Effects of cooling rate on structural relaxation in amorphous drugs: elastically collective nonlinear langevin equation theory and machine learning study

Theoretical approaches are formulated to investigate the molecular mobility under various cooling rates of amorphous drugs. We describe the structural relaxation of a tagged molecule as a coupled process of cage-scale dynamics and collective molecular rearrangement beyond the first coordination shell. The coupling between local and non-local dynamics behaves distinctly in different substances. Theoretical calculations for the structural relaxation time, glass transition temperature, and dynamic fragility are carried out over twenty-two amorphous drugs and polymers. Numerical results have a quantitatively good accordance with experimental data and the extracted physical quantities using the Vogel–Fulcher–Tammann fit function and machine learning. The machine learning method reveals the linear relation between the glass transition temperature and the melting point, which is a key factor for pharmaceutical solubility. Our predictive approaches are reliable tools for developing drug formulations.
4-(4-Fluorophenyl)-1-(4-nitrophenyl)-3-(pyridin-4-yl)-1H-pyrazol-5-amine

In the crystal structure of the title compound, C20H14FN5O2, the pyrazole ring forms dihedral angles of 59.3 (2), 25.6 (2) and 46.0 (2)° with the directly attached 4-fluorophenyl, pyridine and nitrophenyl rings, respectively. The crystal packing is characterized by intermolecular N—H⋯N and N—H⋯O hydrogen bonds.
Chlorido(2-chloronicotinato)triphenylantimony(V)

In the title complex, [Sb(C6H5)3(C6H3ClNO2)Cl], the Sb center has a close to ideal trigonal-bipyramidal geometry, with the phenyl ligands in equatorial positions and the chloride and a carboxylate O atom in axial positions. Weak C—H⋯O contacts generate dimeric units via crystallographic inversion centres.
Diaqua[5,5′-dicarboxy-2,2′-(propane-1,3-diyl)bis(1H-imidazole-4-carboxylato)]manganese(II)

The complex molecule of the title compound, [Mn(C13H10N4O8)(H2O)2] or [Mn(H4pbidc)(H2O)2] (H6pbidc = 2,2′-(propane-1,3-diyl)bis(1H-imidazole-4,5-dicarboxylic acid), has 2 symmetry with the twofold rotation axis running through the Mn2+ cation and the central C atom of the propanediyl unit. The cation is six-coordinated by two N atoms and two O atoms from one H4pbidc2− anion and two water O atoms in a considerably distorted octahedral coordination. In the crystal, adjacent molecules are linked through O—H⋯O and N—H⋯O hydrogen bonds into a three-dimensional network.
1-Cyclohexylmethyl-3-methyl-2-[(phenylimino)(sulfido)methyl]benzimidazolium

In the zwitterionic title compound, C22H25N3S, the benzimidazole ring system makes a dihedral angle of 55.69 (11)° with the phenyl ring. In the crystal structure, inter- and intramolecular C—H⋯S interactions occur.
Na5(NH4)Mn3[B9P6O33(OH)3]·1.5H2O

The overall hexagonal framework of the title compound, pentasodium ammonium trimanganese(II) borophosphate sesquihydrate, consists of tube-like borophosphate anions, ∞ 1{[B3P2O11(OH)]4−}, made up of corner-sharing PO4 and BO4 tetrahedra and BO2(OH) triangles, forming ten-membered ring windows. The tubes are interconnected via distorted MnO6 octahedra, establishing a three-dimensional open-framework structure with two different types of ring-channels (12- and six-membered) that run along [001]. The 12-membered ring channels are occupied by NH4 + ions and water molecules. The ten-membered ring windows in the walls of the tubes are occupied by Na+ ions. The remaining Na+ ions and the water molecules, one of which is half-occupied, reside within the six-membered ring channels. The structural setup is consolidated by an O—H⋯O hydrogen bond between the OH group and an opposite O atom of the framework. Donor–acceptor distances ranging from 2.80 to 3.35 Å between the ammonium N atom, water O atoms and framework O atoms indicate further hydrogen-bonding interactions.
9-(4-Nitrophenylsulfonyl)-9H-carbazole

In the title molecule, C18H12N2O4S, the carbazole skeleton is nearly planar [maximum deviation = 0.037 (1) Å] and is oriented at a dihedral angle of 73.73 (5)° with respect to the benzene ring. An intramolecular C—H⋯O hydrogen bond links a nitro O atom to the carbazole skeleton. In the crystal, intermolecular C—H⋯O hydrogen bonds link the molecules into a three-dimensional network. π–π contacts between inversion-related benzene rings [centroid–centroid distance = 3.7828 (8) Å] and two weak C—H⋯π interactions may also stabilize the structure.
Cadmium exposure induced itai-itai-like syndrome in male rats

Fourteen Sprague-Dawley male rats were randomly divided into 2 groups which were given CdCl2 at the doses of 0 and 1.5 mg /kg for 12 weeks. Before sacrifice, microCT scanning were performed on the proximal tibia and urine were collected for cadmium and N-acetyl-beta-D-glucosaminidase assay, then all of rats were sacrificed and blood was collected for biomarkers measurement; bone tissues were collected for bone mass, histology and biomechanical analysis. The cadmium in blood, urine, bone and kidney of rats treated with cadmium was significantly higher than those in the control group. The bone mineral density, and bone mineral ability of rats treated with cadmium were obviously decreased by 20%–50% compared to controls. Bone microstructure index and trabecular separation of rats treated with cadmium were obviously lower (−50%) and significantly higher (+150%) than that in the control group. Bone biomechanical property decreased by 30%–60% in cadmium treated rats compared to control. Tartrate-resistant acid phosphatase 5b and alkaline phosphatase levels of rats treated with cadmium were significantly higher than those in control, but serum osteocalcin level decreased greatly by cadmium. Obvious proximal tubule damage occurred after cadmium exposure. These observations gave clear and comprehensive evidence that cadmium exposure could induce itai-itai-like syndrome in male rats.
THE GLOBAL FOOT AND MOUTH DISEASE CONTROL STRATEGY Strengthening animal health systems through improved control of major diseases The initial cost estimate of the global FAO/OIE strategy for the control of foot and mouth disease 1

the most contagious transboundary animal diseases (TADs). Livestock movements and trade play a key role in the spread of the disease. FMD is still widespread throughout the world. It still occurs in large parts of Africa, the Middle East and Asia and the countries that are free of FMD today remains under constant threat of an incursion. The disease is well-known for its ability to severely affect and indeed disrupt regional and international trade in animals and animal products. It is also notorious for the enormous financial damage it can cause in FMD-free countries hit by an outbreak. However, the burden of FMD on developing countries, involving the loss of animals and biological diversity and the lowering of production efficiency, is generally much less well known or is underestimated. In FMD-endemic countries, usually developing countries, the disease threatens food security and the livelihoods of smallholders and prevents animal husbandry sectors from developing their economic potential. With a fast moving infection, surveillance is essential and building up national and regional epidemio-surveillance capacities is a priority activity. FAO and and the World Organisation for Animal Health (OIE) developed a 15-year global control strategy in 2012 to reduce the burden of FMD in endemic countries and maintain the status of FMD-free countries.
4-[(E)-(4-Ethoxybenzylidene)amino]phenol

The molecule of the title compound, C15H15NO2, adopts a trans conformation with respect to the methylidene C=N bond and is twisted with a dihedral angle of 26.31 (5)° between the two substituted benzene rings. The ethoxy group is almost coplanar with the bound benzene ring with a C—O—C—C torsion angle of −179.08 (9)°. In the crystal, molecules are linked by O—H⋯N hydrogen bonds and weak C—H⋯O interactions into chains propagating in the [011] and [01-1] directions. C—H⋯π interactions are also present.
5-Fluoro-N′-(4-methylcyclohexylidene)-3-phenyl-1H-indole-2-carbohydrazide

The title compound, C22H22FN3O, crystallized with two independent molecules (A and B) in the asymmetric unit; these are linked by a pair of N—H⋯O hydrogen bonds, forming a pseudo-centrosymmetric dimer with an R 2 2(10) motif. In addition, a number of C—H⋯π interactions are also observed. The 1H-indole ring systems in molecules A and B are essentially planar [maximum deviations of 0.019 (2) and 0.014 (2) Å, respectively] and make dihedral angles of 77.64 (10) and 69.50 (9)°, respectively, with thephenyl rings.
Carbonyl(η5-cyclopentadienyl)(pyridine)(triethylstannyl)iron(II)

In the title complex, [Fe(C5H5){Sn(C2H5)3}(C5H5N)(CO)], the Fe atom is coordinated by carbonyl, pyridine, triethylstannyl and cyclopentadienyl ligands in a typical three-legged piano-stool configuration. The Fe—Sn and Fe—N bond distances are 2.5455 (13) and 1.984 (6) Å, respectively.
(R)-2,2′-Bis(methoxymethoxy)-1,1′-binaphthyl

The asymmetric unit of the title compound, C24H22O4, contains two independent molecules in both of which the naphthalene ring systems adopts a transoid arrangement. The dihedral angles between the naphthalene ring system in the two molecules are 83.0 (1) and 89.0 (1)°. There are slight differences in the C(H3)—O—C(H2)—O– torsion angles of the eqivalent methoxymethoxy groups. In the crystal, weak C—H⋯O hydrogen bonds are present.
4-Amino-3-(3-methoxybenzyl)-1H-1,2,4-triazole-5(4H)-thione

In the title molecule, C10H12N4SO, the triazole ring forms a dihedral angle of 73.0 (5)° with the benzene ring. The methoxy group is approximtely coplanar with the benzene ring with a C C—O—Cmethyl torsion angle of 4.7 (3)°. In the crystal, N—H⋯S hydrogen bonds connect pairs of inversion-related molecules, which are in turn connected by N—H⋯N hydrogen bonds into chains of rings along [010]. Weak C—H⋯O hydrogen bonds connect these chains into a two-dimensional network parallel to (-102).
The epidemiology of acute asthma managed by ambulance paramedics in the prehospital setting in Western Australia

3 CONTENTS 6 MEDICAL ABBREVIATIONS AND DEFINITIONS 9 STATISTICAL ABBREVIATIONS AND DEFINITIONS 11 TABLES 12 FIGURES 14 APPENDICES 15 1.0 INTRODUCTION 16 1.1 AIM 18 1.2 SPECIFIC OBJECTIVES 18 1.3 THESIS APPROACH 20 2.0 A CRITICAL REVIEW OF THE LITERATURE 22 2.1 ASTHMA AS A DISEASE 22 2.2 CAUSES OF ASTHMA 25 2.3 CLINICAL FEATURES OF ASTHMA 30 2.3. 1 The Normal Lung. 30 2.3. 2 Pathophysiology 31 2.3. 3 Clinical Features 33 2.4 TREATMENT OF ASTHMA 35 2.4. 1 Emergency Treatment of Asthma 35 2.4. 2 SJA-WA Asthma Management Protocol 37 2.4. 3 Ongoing Treatment of Asthma 39 2.5 EPIDEMIOLOGY OF ASTHMA 43 2.5. 1 The Global Burden of Disease Project 43 2.5. 2 International 46 2.5. 3 Australia. 57 2.6 REVIEW OF OUTCOME STUDIES 67 2.6. 1 International 68 2.6. 2 Australia 75 2.7 PREHOSPITAL CARE OF ASTHMA 79
Bis{[2-(dimethylamino)phenyl](trimethylsilyl)methyl}cadmium

In the crystal structure of the title compound, [Cd(C12H20NSi)2], the CdII cation is coordinated by two N and two C atoms within an irregular polyhedron. The four Cd—X (X = C, N) bond lengths are in the range 2.166 (4)–2.513 (4) Å.
3-(10-Chloro-9-anthryl)-5-[3-(prop-2-ynyloxy)phenoxymethyl]isoxazole

In the title molecule, C27H18ClNO3, the anthracene mean plane forms dihedral angles of 67.43 (2) and 15.75 (3)° with the isoxazole and benzene rings, respectively. In the crystal structure, C—H⋯π interactions link molecules into centrosymmetric dimers, which are further linked by weak intermolecular C—H⋯N hydrogen bonds into ribbons propagating in the [110] direction.
3-Ethyl-6-(4-fluorophenyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine

In the title compound, C12H11FN4S, the thiadiazine ring adopts a twist-boat conformation. The dihedral angle between the triazolothiadiazine system and the benzene ring is 10.54 (9)°. The crystal structure is characterized by C—H⋯N hydrogen bonds. The crystal packing also exhibits π–π interactions, with a centroid–centroid distance of 3.6348 (15) Å.
5-Acetyl-3-hydroxy-4-phenyl-4,5-dihydro-1H-1,5-benzodiazepin-2(3H)-one

In the title compound, C17H16N2O3, the seven-membered diazepine ring adopts a boat conformation with the hydroxy-substituted C atom at the prow and fused benzene ring C atoms at the stern. The phenyl substituent occupies an equatorial position. The amino group of the ring system is a hydrogen-bond donor to the oxo O atom of an inversion-related molecule, and the hydroxy group is a hydrogen-bond donor to the acetyl O atom of another inversion-related molecule. The two hydrogen bonds generate a ribbon motif parallel to [10] in the crystal structure.
Poly[diaquatetra-μ-selenocyanato-cadmium(II)dipotassium(I)]

In the title compound, [CdK2(NCSe)4(H2O)2]n, the cadmium(II) cation is situated on a twofold rotation axis and is coordinated in a slightly distorted tetrahedral geometry by two symmetry-related μ-1,1,1,3 and two-symmetry related μ-1,1,3,3 bridging selenocyanate anions, all of which are Se bonded. These bridging selenocyanate anions are further coordinated to two symmetry-related potassium ions. Each of the potassium ions is coordinated by one terminally bonded water molecule and six selenocyanate anions, two of which are crystallographically independent. The asymmetric unit consists of one cadmium and one potassium cation, two bridging selenocyanate anions and one water molecule. The polymeric subunits are further connected via the selenocyanate anions into a three-dimensional coordination network. In this coordination network, intramolecular hydrogen bonds between neighbouring water molecules can be found.
2-[4-(Chloromethyl)phenoxy]-4,6-dimethoxypyrimidine

The title compound, C13H13ClN2O3, was synthesized in the course of the search for novel bioactive pyrimidine derivatives. The C—O—C angle at the phenoxy O atom is widened to 119.87 (18)°. The dihedral angle between the pyrimidine and benzene rings is 64.2 (3)°.
(2E)-3-[4-(Dimethylamino)phenyl]-1-(4-fluorophenyl)prop-2-en-1-one

The mean planes of the two benzene rings in the title compound, C17H16FNO, are twisted slightly, making a dihedral angle of 7.8 (1)°. The prop-2-en-1-one group is also twisted slightly with a C—C—C—O torsion angle of −11.6 (3)°. In the crystal, weak intermolecular C—H⋯O interactions link pairs of molecules, forming centrosymmetric dimers.
Trichlorido{μ-6,6′-dimethoxy-2,2′-[cyclohexane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}dimethanolcopper(II)samarium(III)

In the title hetero-dinuclear complex, [CuSm(C22H24N2O4)Cl3(CH3OH)2], the CuII cation is N,N′,O,O′-chelated by a 6,6′-dimethoxy-2,2′-[cyclohexane-1,2-diylbis(nitrilomethanylylidene)]diphenolate ligand, and one Cl− anion further coordinates to the CuII cation to complete the distorted square-pyramidal coordination geometry, while the SmIII cation is chelated by four O atoms from the same ligand, and is further coordinated by two methanol molecules and two Cl− anions in an bicapped trigonal–prismatic geometry. Intra- and intermolecular O—H⋯Cl hydrogen bonds are present in the structure.
(E)-3-(2-Bromophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one

The crystal structure of the title compound, C17H15BrO3, a chalcone derivative, exhibits two crystallographically independent molecules per asymmetric unit showing an E conformation about the ethylene double bond. In each molecule, the two phenyl rings are almost coplanar: the mean planes make dihedral angles of 9.3 (2) and 19.4 (2)°. In the crystal, molecules are linked through weak intermolecular C—H⋯O hydrogen bonds.