gebhart/patrepeval huggingface dataset:
TOP-PIM (2014)

As computation becomes increasingly limited by data movement and energy consumption, exploiting locality throughout the memory hierarchy becomes critical to continued performance scaling. Moving computation closer to memory presents an opportunity to reduce both energy and data movement overheads. We explore the use of 3D die stacking to move memory-intensive computations closer to memory. This approach to processing in memory addresses some drawbacks of prior research on in-memory computing and is commercially viable in the foreseeable future.
Problems and opportunities in training deep learning software systems (2020)

Deep learning (DL) training algorithms utilize nondeterminism to improve models' accuracy and training efficiency. Hence, multiple identical training runs (e.g., identical training data, algorithm, and network) produce different models with different accuracies and training times. In addition to these algorithmic factors, DL libraries (e.g., TensorFlow and cuDNN) introduce additional variance (referred to as implementation-level variance) due to parallelism, optimization, and floating-point computation.
The Membrane–Electrode Interface in PEFCs (2010)

The impact of the membrane–electrode interface on fuel cell durability was investigated in polymer electrolyte fuel cells (PEFCs). Cells using disulfonated poly(arylene ether) copolymer (BPSH) membranes exhibited greater performance loss than a cell using Nafion after 700 h of direct methanol fuel cell (DMFC) testing. Additionally, the performance loss and cell resistance within the BPSH family of copolymers increased with increasing degree of disulfonation. Membrane characterization using NMR, potentiometric titration, intrinsic viscosity, water uptake, and proton conductivity showed minimal impact from chemical/physical changes. Fuel cell performance degradation scaled well with initial membrane–electrode interfacial resistance, suggesting that the membrane–electrode interface was an important contributor to DMFC durability. These results are of particular interest for alternative proton exchange membranes where interfacial compatibility with electrodes is a critical, unresolved issue.
Bacterial community characterization and dynamics of indigo fermentation (2010)

Indigo fermentation has been traditionally performed for dyeing textiles in Japan. Limited information is available on the microbiota involved and the succession of the bacterial community structure during indigo reduction. We investigated the bacterial community structure associated with indigo fermentation using denaturing gradient gel electrophoresis and clone library analyses of a PCR-amplified 16S rRNA gene in the early phase of fermentation carried out in our laboratory. A marked substitution of Halomonas spp. by Amphibacillus spp. was observed corresponding to the marked change in the state of indigo reduction. Although the reported indigo-reducing bacteria, Alkalibacterium spp., were not predominant in the early phase of fermentation, they were predominant in fermentation liquor aged for 10 months obtained from Date City, Japan, as determined by culture-dependent and culture-independent analyses. Novel indigo-reducing strains, Amphibacillus spp. strain C40 and Oceanobacillus spp. strain A21, were isolated from fermentation liquor aged for 10 months and from liquor aged for 4 days, respectively. It is considered that, in addition to the strains belonging to the genus Alkalibacterium, strains belonging to genera Amphibacillus and Oceanobacillus play important roles in sustaining the reduced state of indigo during fermentation.
ANS Triboconditioning: In-Manufacture Running-in Process for Improving Tribological Properties of Mechanical Parts made of Steel and Cast Iron (2012)

Summary Component rig tests suggest that ANS triboconditioning brings significant improvements in the tribological properties of camshafts, cylinder liners, and rocker arm shafts. Extreme-pressure mechanical treatment of the component surface in combination with a tribochemical deposition of a low-friction antiwear film based on tungsten disulfide allows one to produce, in a single finishing operation, a smoother surface with a significantly reduced coefficient of boundary friction and improved wear-resistance and load-carrying capacity. The treatment proved to be especially efficient for reducing friction and wear in lubricated contacts under high tribological stress.
Decentralized user association for (p, α)-proportional fair-based system throughput maximization in cellular networks (2015)

This paper proposes a new user association method to maximize the downlink system throughput in a cellular network, where the system throughput is defined based on (p, α)-proportional fairness. The proposed method assumes a fully decentralized approach, which is practical in a real system as complicated inter-base station (BS) cooperation is not required. In the proposed method, each BS periodically and individually broadcasts supplemental information regarding the bandwidth allocation to newly connected users. Assisted by this information, each user calculates the expected throughput that will be obtained by connecting the respective BSs. Each user terminal feeds back the metric for user association to the temporally best BS, which represents a relative increase in throughput through re-association to that BS. Based on the reported metrics from multiple users, each BS individually updates the user association. The proposed method is especially effective in heterogeneous cellular networks where low transmission-power pico BSs are overlaid onto a high transmission-power macro BS for traffic offloading. Computer simulation results show that the proposed method maximizes the system throughput from the viewpoint of the given (p, α)-proportional fairness.
Extreme magnetoresistance in the topologically trivial lanthanum monopnictide LaAs (2017)

The family of binary lanthanum monopnictides, LaBi and LaSb, has attracted a great deal of attention as it displays an unusual extreme magnetoresistance (XMR) that is not well understood. Two classes of explanations have been offered for this: the presence of nontrivial topology and the compensation between electron and hole densities. Here, by synthesizing a new member of the family, LaAs, and performing transport measurements, angle-resolved photoemission spectroscopy, and density functional theory calculations, we show that (a) LaAs retains all qualitative features characteristic of the XMR effect but with a significant reduction in magnitude compared to LaSb and LaBi, (b) the absence of a band inversion or a Dirac cone in LaAs indicates that topology is insignificant to XMR, (c) the equal number of electron and hole carriers indicates that compensation is necessary for XMR but does not explain its magnitude, and (d) the ratio of electron and hole mobilities is much different in LaAs compared to LaSb and LaBi. We argue that the compensation is responsible for the XMR profile and the mobility mismatch constrains the magnitude of XMR.
Towards particle filter SLAM with three dimensional evidence grids in a flooded subterranean environment (2006)

This paper describes the application of a RaoBlackwellized Particle Filter to the problem of simultaneous localization and mapping onboard a hovering autonomous underwater vehicle. This vehicle, called DEPTHX, equipped with a large array of pencil-beam sonars for mapping, and autonomously explore a system of flooded tunnels associated with the Zacaton sinkhole in Tamaulipas, Mexico. Due to the three-dimensional nature of the tunnels, we describe an extension of traditional two dimensional evidence grids to three dimensions. In May 2005, we collected a sonar data set in Zacaton. We present successful SLAM results using both the real-world data and simulated data
Toroidal plasmonic metamaterial (2012)

We report on the development of toroidal metamaterials operating in the near-to-far IR spectral range. The toroidal metamaterials is a recently demonstrated novel class of artificial media with the resonant macroscopic response determined by a peculiar and previously disputed fundamental type of microscopic dipolar excitations, the toroidal dipole. Taking into account limitations of the most suited fabrication techniques (namely Sandia's projection lithography SAMPL and NTU's e-beam lithography with precise alignment technique) and using realistic data for the optical properties of the constituent dielectrics and metals, we have come up with a substantially optimised design of such metamaterials capable of producing dominant toroidal response at IR frequencies. We have also investigated the possibility of enhancing toroidal response by incorporating gain into the metamaterials' structure.
Low potential for mechanical transmission of Ebola virus via house flies (Musca domestica) (2017)

The results of this study indicate that there is a low potential for the mechanical transmission of EBOV via house flies - the conditions in this study were not sufficient to initiate infection.
Novel multi-color image sensors for bio-chemical, bio-medical, and security applications (2005)

Detectors (sensor) having detection capability ranging from visible to near-infrared region are very much required for multi-color image sensor, necessary for next generation bio-medical, bio-chem(ical), and security applications. The capability of using broadband detection in a single sensor would help to receive real-time imaging not detectable using today's CCD or CMOS sensor. We proposed a detector structure as a single sensor element (pixel) having the detection capability ranging from visible to 1.7 <i>&#956;m</i>, wavelengths requiring in bio-chem, biomedical cell detection and security application. This invited paper has two-fold objectives: (a) provide a comprehensive overview of conventional photo detectors array (focal-plan array) and their types, being used in today's imaging, and (b) introduce a development of multi-color detector array (image sensor) which authors pioneered. The features of proposed multi-color detector are simple structure, low-cost, high quantum efficiency, high sensitivity, and high speed. Performance results so far attained will be presented along with its possible applications.
Crystal Structure, Charge-Transfer-Induced Spin Transition, and Photoreversible Magnetism in a Cyano-Bridged Cobalt−Tungstate Bimetallic Assembly (2008)

This paper describes the crystal structure, magnetic properties, and photoreversible magnetic properties of CoII3[WV(CN)8]2(pyrimidine)4·6H2O. We found that complexes of this formula had two types of crystal structures ([{CoII(pyrimidine)2}2{CoII(H2O)2}{WV(CN)8}2]·4H2O (1) and [{CoII(pyrimidine)(H2O)}2{CoII(H2O)2}{WV(CN)8}2](pyrimidine)2·2H2O (2)). These two structures had similar metal−organic frameworks but differed in the coordination environment around Co1, i.e., Co1(NC)4(pyrimidine)2 in 1 and Co1(NC)4(pyrimidine)(H2O) in 2. In 1, a temperature-induced phase transition from the CoII (S = 3/2)−NC−WV (S = 1/2) [high-temperature (HT)] phase to the CoIII (S = 0)−NC−WIV (S = 0) [low-temperature (LT)] phase was observed due to a charge-transfer-induced spin transition. However, 2 did not exhibit such a phase transition. When the LT phase of 1 was irradiated by 840 nm light, ferromagnetism with a Curie temperature of 40 K and magnetic coercive field of 12 kOe were observed. UV–vis reflectance and infrared measurements suggested that the LT phase optically transited to the photoinduced (PI) phase, which had a similar valence state as the HT phase, through the metal-to-metal charge-transfer (WIV → CoIII) band. In contrast, when the back metal-to-metal charge transfer (CoII → WV) band of the PI phase was excited by 532 nm light, the reverse phase transition from the PI phase to the LT phase occurred, and the spontaneous magnetization decreased.
Meta-analysis of genome-wide association studies in East Asian-ancestry populations identifies four new loci for body mass index (2021)

Recent genetic association studies have identified 55 genetic loci associated with obesity or body mass index (BMI). The vast majority, 51 loci, however, were identified in European-ancestry populations. We conducted a meta-analysis of associations between BMI and ∼2.5 million genotyped or imputed single nucleotide polymorphisms among 86 757 individuals of Asian ancestry, followed by in silico and de novo replication among 7488–47 352 additional Asian-ancestry individuals. We identified four novel BMI-associated loci near the KCNQ1 (rs2237892, P = 9.29 × 10−13), ALDH2/MYL2 (rs671, P = 3.40 × 10−11; rs12229654, P = 4.56 × 10−9), ITIH4 (rs2535633, P = 1.77 × 10−10) and NT5C2 (rs11191580, P = 3.83 × 10−8) genes. The association of BMI with rs2237892, rs671 and rs12229654 was significantly stronger among men than among women. Of the 51 BMI-associated loci initially identified in European-ancestry populations, we confirmed eight loci at the genome-wide significance level (P < 5.0 × 10−8) and an additional 14 at P < 1.0 × 10−3 with the same direction of effect as reported previously. Findings from this analysis expand our knowledge of the genetic basis of obesity.
oASIS: Adaptive Column Sampling for Kernel Matrix Approximation (2015)

Kernel matrices (e.g. Gram or similarity matrices) are essential for many state-of-the-art approaches to classification, clustering, and dimensionality reduction. For large datasets, the cost of forming and factoring such kernel matrices becomes intractable. To address this challenge, we introduce a new adaptive sampling algorithm called Accelerated Sequential Incoherence Selection (oASIS) that samples columns without explicitly computing the entire kernel matrix. We provide conditions under which oASIS is guaranteed to exactly recover the kernel matrix with an optimal number of columns selected. Numerical experiments on both synthetic and real-world datasets demonstrate that oASIS achieves performance comparable to state-of-the-art adaptive sampling methods at a fraction of the computational cost. The low runtime complexity of oASIS and its low memory footprint enable the solution of large problems that are simply intractable using other adaptive methods.
Methylprednisolone in High Doses Gives Different Effects on the Early and the Late Part of Complement (1990)

The effects of methylprednisolone (MP) on endotoxin-induced activation of complement were studied in citrated pool plasma. Complement activation was tested in two immunoassays: one evaluating C3 activation fragments (C3act) and the other the terminal complement complex (TCC). These components are indicators of initial and terminal complement activation, respectively. Plasma samples were obtained at 1, 2, 4 and 6 h of incubation. Plasma containing endotoxin (2.10(9) ng/l) without MP revealed a marked increase of both C3act and TCC after 1 h. MP in high doses (10 mg/ml) gave an additive effect on activation of the initial part of the complement cascade compared to test plasma containing only endotoxin. In contrast, endotoxin-induced activation of the terminal part of the complement cascade was inhibited by the same dose of MP. The influence of lower doses of MP (0.1 and 1 mg/ml) on endotoxin-induced activation of complement was insignificant. Interestingly, MP without endotoxin induced activation of the initial part of complement. In test plasmas containing 5 and 10 mg/ml of MP (without endotoxin) marked increases of C3act values were seen. Despite this obvious activation of the early part of complement, only insignificant changes were found in TCC values. Test plasmas containing 0.1 and 1 mg/ml of MP revealed only minor changes in both C3act and TCC. In conclusion, the present study shows that high doses of MP activate the initial part of complement and that the endotoxin-induced activation of this cascade system was facilitated by MP. The terminal part of complement was, on the other hand, inhibited by high doses of MP.
Chemistry of the herbicidins. Reactivity of silyl enol ethers derived from simple and carbohydrate-based tetrahydropyrans (1994)

Details are described of preliminary synthetic studies, based on Lewis acid-mediated alkylation of a silyl enol ether, that were directed towards the C11 glycoside of the herbicidin class of nucleosides. The chemistry presented focuses on limitations encountered with the reactivity of both the electrophilic and nucleophilic components designed to serve this longer term synthetic objective. α-Chloro sulfide 6 readily undergoes a Lewis acid-promoted internal redox reaction leading to sulfide 8; this is a consequence of the O-benzyl protecting group used at C-3 of chloro sulfide 6. This pathway is avoided by use of O-silyl protection, and reaction of the silyl-protected α-chloro sulfide 11 with the simple heterocyclic silyl enol ether 5 gives the herbicidin models 13a and 13b incorporating the required furano-pyrano-pyran skeleton. Further experiments showed that the nucleophilic component required for the herbicidins, the carbohydrate-based silyl enol ether 2, readily underwent Lewis acid-mediated rearrangement to give levoglucosenone 15.
Nonlinear refractive index effects in a Petawatt class OPCPA (2011)

We present 3D OPCPA simulations including nonlinear refractive index for a PW system with 3.67 J, 4 fs transform limited pulses. Those effects reduce the energy by ∼11% and increase the Fourier limit by ∼17.5%.
Structure of human α-thrombin complexed with RWJ-51438 at 1.7 Å: unusual perturbation of the 60A–60I insertion loop (2000)

The three-dimensional structure of the ternary complex consisting of human alpha-thrombin, hirugen and the active-site inhibitor RWJ-51438 has been determined at 1.7 A resolution. The crystals of the complex belong to the orthorhombic space group P2(1)2(1)2, with unit-cell parameters a = 62.98, b = 117.52, c = 47.99 A. The refined R and R(free) values are 0.196 and 0.232, respectively. The ketone carbonyl group of the inhibitor is covalently linked to the hydroxyl O atom of Ser195, forming a tetrahedral intermediate hemiketal structure; the benzothiazole ring N atom of RWJ-51438 forms a hydrogen bond with His57. Surprisingly, the carboxylate substituent on the benzothiazole group forms salt bridges with Lys60F NZ and the NZ of the symmetry-related residues Lys236 and Lys240, which introduces steric effects that perturb the 60A-60I insertion loop, especially at residues Trp60D and Phe60H.
Elastocapillarity and rolling dynamics of solid nanoparticles on soft elastic substrates (2020)

The motion of nanoparticles on soft surfaces is the result of interplay between capillary, elastic and friction forces. To elucidate the importance of the different contributions controlling nanoparticle rolling dynamics on soft surfaces, we performed molecular dynamics simulations of solid nanoparticles in contact with soft elastic substrates. The nanoparticle motion is initiated by applying a constant force resulting in stationary, steady rolling, and accelerating states, depending on the nanoparticle-substrate work of adhesion, W, the magnitude of the net applied force, F, and the substrate shear modulus G. In the stationary state, the restoring torque produced in the contact area balances the torque due to the external force. The rolling force Fr, determining the crossover to the rolling state, is proportional to the product of the work of adhesion W and nanoparticle size Rp, Fr ∼ WRp. In the steady rolling state, F > Fr, the nanoparticle maintains a constant rolling velocity which is a manifestation of the balance between the rolling friction force and the applied force. The observed scaling relationships between the applied force and nanoparticle velocity reflect a viscoelastic nature of the substrate deformation dynamics. A nanoparticle begins to accelerate when the energy supplied to the nanoparticle exceeds the energy dissipated in the contact area due to viscoelastic substrate deformation. Using these simulation results, we have constructed a diagram of states in terms of the dimensionless parameters F/WRp and W/GRp.
A Comparative Study of the Performance of Spatialization Techniques for a Distributed Audience in a Concert Hall Environment (2007)

The performance of various spatialization techniques is evaluated for a distributed audience using the nonideal speaker arrangements found in small concert halls. The methods under evaluation are Second Order Ambisonics, Vector Base Amplitude Panning, Delta Stereophony and Spat with B-format Ambisonics encoding. Each method is assessed in terms of its localization accuracy. The data is presented by comparison of empirical high resolution binaural measurements and perceptual listening tests to simulations of the speaker arrangements in an equivalent acoustically modelled environment.
Binding affinity between small molecules in solvent and polymer film using molecular dynamics simulations A Physicochemical and engineering aspects (2017)

Quantifying the binding affinity of small molecules to a polymeric film is very important in understanding the adsorption phenomenon in food industry. Here we present a model based on molecular dynamics simulations in conjunction with the Metadynamics method to reconstruct the free energy barrier for desorption of small molecules from a polymer surface. We use this technique to find the binding affinity of five small binder molecules (C8, C9, C10, Eugenol and d-limonene) to a polymeric film in water solvent that is primarily due to the van der Waals, hydrogen bonding and electrostatic interactions. It is found that the small molecule binding is a spontaneous process, the binding affinity is affected by their molecular structure and polarity, the aldehydes (C8, C9, C10) have much higher affinity than the Eugenol and the d-limonene, the binding affinity increases with a rise in temperature, and the aldehydes show higher temperature sensitivity than the Eugenol and the d-limonene. These findings suggest the possibility of using the binding affinity, especially the binding free energy, to guide the design and selection of polymeric barrier materials.
A Cationic Oligomer as an Organic Template for Direct Synthesis of Aluminosilicate ITH Zeolite (2020)

There are a large number of zeolites, such as ITH, that cannot be prepared in the aluminosilicate form. Now, the successful synthesis of aluminosilicate ITH zeolite using a simple cationic oligomer as an organic template is presented. Key to the success is that the cationic oligomer has a strong complexation ability with aluminum species combined with a structural directing ability for the ITH structure similar to that of the conventional organic template. The aluminosilicate ITH zeolite has very high crystallinity, nanosheet-like crystal morphology, large surface area, fully four-coordinated Al species, and abundant acidic sites. Methanol-to-propylene (MTP) tests reveal that the Al-ITH zeolite shows much higher selectivity for propylene and longer lifetime than commercial ZSM-5. FCC tests show that Al-ITH zeolite is a good candidate as a shape-selective FCC additive for enhancing propylene and butylene selectivity.
Patient-Specific Fluid Structure Interaction Simulation Applied to Evaluating Hemodynamics Within the Total Cavopulmonary Connection (2007)

Congenital heart disease (CHD), a life-threatening birth disorder, is the most common genetic disorder with an incidence rate as high as 1% in neonates (36,000 cases in 2006). Amongst these children, one out of four has single ventricle anomaly. As a palliative rather than a curative means for vascular reconstruction, the “Fontan” palliation has been used to produce stable hemodynamic states, at least for a limited period of time. However, the majority of post-Fontan patients faces a high risk of mortality and morbidity [1], and will have to undergo heart transplant eventually due to the excess load imposed on the single ventricle by the systemic resistance.