gebhart/patrepeval huggingface dataset:
Learning Interpretable Metric between Graphs (2019)

Graph is a standard approach to modeling structured data. Although many machine learning methods depend on the metric of the input objects, defining an appropriate distance function on graph is still a controversial issue. We propose a novel supervised metric learning method for a subgraph-based distance, called interpretable graph metric learning (IGML). IGML optimizes the distance function in such a way that a small number of important subgraphs can be adaptively selected. This optimization is computationally intractable with naive application of existing optimization algorithms. We construct a graph mining based efficient algorithm to deal with this computational difficulty. Important advantages of our method are 1) guarantee of the optimality from the convex formulation, and 2) high interpretability of results. To our knowledge, none of the existing studies provide an interpretable subgraph-based metric in a supervised manner. In our experiments, we empirically verify superior or comparable prediction performance of IGML to other existing graph classification methods which do not have clear interpretability. Further, we demonstrate usefulness of IGML through some illustrative examples of extracted subgraphs and an example of data analysis on the learned metric space.
ChemInform Abstract: Improved Enantioselective Synthesis of Anti α‐Methyl‐β‐hydroxyesters through TiCl<sub>4</sub>‐PPh<sub>3</sub> Mediated Aldol Condensation. (1986)

Abstract Aus dem Keten‐acetal (I) erhält man mit Benzaldehyd (II) in Gegenwart von Titantetrachlorid‐Phosphin‐Komplexkatalysatoren überwiegend das anti‐Addukt (IV) neben dem syn‐Addukt (V).
Immunomagnetic Separation of <i>Cryptosporidium parvum</i> from Source Water Samples of Various Turbidities (1998)

Immunomagnetic separation (IMS) procedures which specifically capture Cryptosporidium oocysts and have the potential to isolate oocysts from debris have become commercially available. We compared two IMS kits (kit DB [Dynabeads anti-Cryptosporidium; product no. 730.01; Dynal A.S., Oslo, Norway] and kit IC1 [Crypto Scan IMS; product no. R10; Clearwater Diagnostics Company, LLC, Portland, Maine]) and a modification of kit IC1 (kit IC2 [Crypto Scan IMS; product no. R10; Clearwater Diagnostics Company, LLC]) at three turbidity levels (50, 500, and 5,000 nephelometric turbidity units [ntu]) by using water matrices obtained from different geographical locations. In deionized water, kit DB yielded recoveries between 68 and 83%, whereas the recoveries obtained with kits IC1 and IC2 were more variable and ranged from 0.2 to 74.5%. In water matrices with turbidity levels up to 500 ntu, the oocyst recoveries were more variable with kit DB; however, the recoveries were similar to those obtained in deionized water. In contrast, there were notable reductions in oocyst recoveries in the turbid matrices with kits IC1 and IC2, and the highest recovery (8.3%) was obtained with a 50-ntu sample. An examination of the effects of age on oocyst recovery with kit DB revealed that oocysts up to 16 weeks old yielded recoveries similar to the recoveries observed with fresh oocysts. These data indicate that all IMS kits do not perform equally well, and it is important to conduct in-house quality assurance work before a commercially available IMS kit is selected to replace flotation procedures for recovery of Cryptosporidium oocysts.
A comparison of the efficacy of carbamazepine and the novel anti‐epileptic drug levetiracetam in the tetanus toxin model of focal complex partial epilepsy (2002)

1. The tetanus toxin seizure model, which is associated with spontaneous and intermittent generalized and non-generalized seizures, is considered to reflect human complex partial epilepsy. The purpose of the present study was to investigate and compare the anticonvulsant effects of carbamazepine with that of levetiracetam, a new anti-epileptic drug in this model. 2. One microl of tetanus toxin solution (containing 12 mLD(50) microl(-1) of tetanus toxin) was placed stereotactically into the rat left hippocampus resulting in generalized and non-generalized seizures. 3. Carbamazepine (4 mg kg(-1) h(-1)) and levetiracetam (8 and 16 mg kg(-1) h(-1)) were administered during a 7 day period via an osmotic minipump which was placed in the peritoneal cavity. Carbamazepine (4 mg kg(-1) h(-1)) exhibited no significant anticonvulsant effect, compared to control, when the entire 7 day study period was evaluated but the reduction in generalized seizures was greater (35.5%) than that for non-generalized seizures (12.6%). However, during the first 2 days of carbamazepine administration a significant reduction in both generalized seizure frequency (90%) and duration (25%) was observed. Non-generalized seizures were unaffected. This time-dependent anticonvulsant effect exactly paralleled the central (CSF) and peripheral (serum) kinetics of carbamazepine in that steady-state concentrations declined over time, with the highest concentrations achieved during the first 2 days. Also there was a significant 27.3% reduction in duration of generalized seizures during the 7 day study period (P=0.0001). 4. Levetiracetam administration (8 and 16 mg kg(-1) h(-1)) was associated with a dose-dependent reduction in the frequency of both generalized (39 v 57%) and non-generalized (36 v 41%) seizures. However, seizure suppression was more substantial for generalized seizures. Also a significant dose-dependent reduction in overall generalized seizure duration was observed. 5. These data provide experimental evidence for the clinical efficacy of levetiracetam for the management of patients with complex partial seizures. Furthermore, levetiracetam probably does not act by preventing ictogenesis per se but acts to reduce seizure severity and seizure generalization.
Genetic polymorphism of human liver alcohol and aldehyde dehydrogenases, and their relationship to alcohol metabolism and alcoholism (1986)

It is now widely accepted that the various pharmacologic and addictive consequences of alcohol consumption are related to the tissue concentration of ethanol or its metabolic products. The oxidative metabolism of ethanol in liver is principally catalyzed by alcohol dehydrogenase and aldehyde dehydrogenase. Both of these enzymes exist in multiple molecular forms, and genetic models have been proposed to account for the multiplicity of isoenzymes. Alcohol dehydrogenase subunits are encoded at five different gene loci, and genetic polymorphism occurs at two alcohol dehydrogenase loci. Variant isoenzymes produced at the two polymorphic alcohol dehydrogenase loci account for the differences in enzyme electrophoretic patterns observed among individuals. Some of these variant isoenzymes exhibit widely different kinetic properties, and this may account for the 2- to 3-fold variation in alcohol elimination rate among individuals. Since the protein sequence of several of the alcohol dehydrogenase subunits has been determined and several of the alcohol dehydrogenase genes has been cloned, some of the structural changes which give rise to differences in catalytic and electrophoretic properties are now known. Genetic polymorphism also occurs at the aldehyde dehydrogenase gene locus which encodes the mitochondrial low Km for acetaldehyde aldehyde dehydrogenase isoenzyme. The variant isoenzyme exhibits little or no catalytic activity. Individuals with this "null" variant have higher than normal blood acetaldehyde levels and exhibit an alcohol-flush reaction which appears to be a deterrent to heavy drinking and alcoholism.(ABSTRACT TRUNCATED AT 250 WORDS)
Introduction to Solar Photon Conversion (2010)

ADVERTISEMENT RETURN TO ISSUEEditorialNEXTIntroduction to Solar Photon ConversionArthur J. Nozik*† and John Miller‡View Author Information National Renewable Energy Laboratory Department of Chemistry, University of Colorado, Boulder, Colorado, United States and Brookhaven National Laboratory, Chemistry Department Upton, New York, United States* To whom correspondence should be addressed. E-mail: [email protected] (A.J.N.); [email protected] (J.M.).†National Renewable Energy Laboratory University of Colorado.‡Brookhaven National Laboratory.Cite this: Chem. Rev. 2010, 110, 11, 6443–6445Publication Date (Web):November 10, 2010Publication History Received7 October 2010Published online10 November 2010Published inissue 10 November 2010https://doi.org/10.1021/cr1003419Copyright © 2010 American Chemical SocietyRIGHTS & PERMISSIONSArticle Views15400Altmetric-Citations181LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (178 KB) Get e-AlertscloseSUBJECTS:Photovoltaics,Semiconductors,Solar cells,Solar energy,Solar fuels Get e-Alerts
Parallel Multi-Branch Convolution Block Net for Fast and Accurate Object Detection (2019)

In order to maintain the high speed advantage of single-stage object detector and improve its detection accuracy, in this paper, we propose a parallel multi-branch convolution block, called PMCB, which can efficiently extract multi-scale object information at a specific layer to form a discriminative feature layer and boost the detection performance with little computational burden. Based on the PMCB module, we build PMCB Net on the basis of the single shot multibox detector (SSD) network by replacing the conventional convolution with PMCB at a specific layer. The performance of the proposed algorithm is compared with that of other state-of-the-art methods on PASCAL VOC2007, MS COCO test datasets. The experimental results show that the proposed algorithm greatly improved detection accuracy performance while only adding a negligible computational burden, which is very important for practical engineering applications.
Preparation of TiO<sub>2</sub>‐nitrogen‐doped photocatalyst active under visible light (2006)

This study examined the photocatalytic degradation of phenol and azo dyes such as Reactive Red 198 and Direct Green 99 by photocatalysis over amorphous hydrated titanium dioxide (TiO 2 · H 2 O) obtained directly from the sulphate technology installation modified in gaseous ammonia atmosphere. The photocatalysts were used in the solution and coated on the glass plate after sandblasting. The highest rate of phenol degradation in the solution was obtained for catalysts calcinated at 700°C (6.5% wt.), and the highest rate of dye decolorization was found for catalysts calcinated at 500°C and 600°C (ca. 40%–45%). Some TOC measurements of dye solutions were performed to check the rate of mineralization. On the glass plate, the decomposition of DG99 on TiO 2 /N 500 contrary to TiO 2 ‐P25 proceeded completely after 120 hours of visible light irradiation. The prolongation of the time of irradiation did not enhance DG99 degradation on TiO 2 ‐P25. The decomposition of the Direct Green 99 on TiO 2 /N 500 coated on the glass plate covered with liquid glass took place up to 24 hours of irradiation. The liquid layer on the glass plate which was covered with the photocatalyst reduced its activity. The nitrogen doping during calcinations under ammonia atmosphere is a new way of obtaining a photocatalyst which could have a practical application in water treatment system under broadened solar light spectrum as well as self‐cleaning coatings.
Plasma Polymerized Organometallic Thin Films: Preparation and Properties (1984)

We review the recent work on plasma polymerization of organometallic monomers, and discuss the preparation and properties of organotin and organogermanium monomers. Various saturated and unsaturated monomers (such as tetraethyltin, tetravinyltin, hexamethylditin and tetramethylgermanium) have been polymerized in a glow discharge, and the mechanism of polymerization has been elucidated. Films were also prepared by glow discharge polymerization from the above mentioned monomers in the presence of oxygen. Films of varying conductivity were prepared by these two methods, the presence of oxygen giving rise to semiconducting films. The C/Sn and C/Ge ratios, as determined by ESCA, vary with the reactor operating parameters and with the location of the substrate within the reactor. Thin films prepared from tetramethylgermanium also show semiconducting and insulating behavior, depending upon their location within the plasma reactor.
Measurement of Visual Motion (1984)

The analysis of visual motion divides naturally into two stages: the first is the measurement of motion, for example, the assignment of direction and magnitude of velocity to elements in the image, on the basis of the changing intensity pattern; the second is the use of motion measurements, for example, to separate the scene into distinct objects, and infer their three-dimensional structure. In this paper, we present a computational study of the measurement of motion. Similar to other visual processes, the motion of elements is not determined uniquely by information in the changing image; additional constraint is required to compute a unique velocity filed. Given this global ambiguity of motion. Local measurements from the changing image, such as those provided by directionally-selective simple cells in primate visual cortex, cannot possibly specify a unique local velocity vector, and in fact, specify only one component of velocity. Computation of the full two-dimensional velocity field requires the integration of local motion measurements, either over an area, or along contours in the image. We will examine possible algorithms for computing motion, based on a range of additional constraints. Finally, we will present implications for the biological computation of motion.
Relationship between circle of Willis morphology on 3D time-of-flight MR angiograms and transient ischemia during vascular clamping of the internal carotid artery during carotid endarterectomy. (2004)

In patients without contralateral ICA occlusion, circle of Willis morphology on 3D TOF MR angiograms cannot predict the development of intraoperative ischemia. However, in patients with contralateral ICA occlusion, incompleteness of the posterior part of the circle of Willis is a significant risk factor for development of ischemia during vascular clamping of the ICA.
Neural Decoder for Topological Codes using Pseudo-Inverse of Parity Check Matrix (2019)

Recent developments in the field of deep learning have motivated many researchers to apply these methods to problems in quantum information. Torlai and Melko first proposed a decoder for surface codes based on neural networks. Since then, many other researchers have applied neural networks to study a variety of problems in the context of decoding. An important development in this regard was due to Varsamopoulos et at. who proposed a two-step decoder using neural networks. Subsequent work of Maskara et at. used the same concept for decoding for various noise models. We propose a similar two-step neural decoder using inverse parity-check matrix for topological color codes. We show that it outperforms the state-of-the-art performance of non-neural decoders for independent Pauli errors noise model on a 2D hexagonal color code. Our final decoder achieves a threshold of 10%. Our result is comparable to the recent work on neural decoder for quantum error correction by Maskara et at. It appears that our decoder has advantages with respect to training cost and complexity of the network for higher distances when compared to that of Maskara et at.
MORPHOLOGY PARAMETERS FOR INTRACRANIAL ANEURYSM RUPTURE RISK ASSESSMENT (2008)

Size ratio and aneurysm angle are promising new morphological metrics for IA rupture risk assessment. Because these parameters account for vessel geometry, they may bridge the gap between morphological studies and more qualitative location-based studies.
Combinations of TLR Ligands: A Promising Approach in Cancer Immunotherapy (2013)

Toll-like receptors (TLRs), a family of pattern recognition receptors recognizing molecules expressed by pathogens, are typically expressed by immune cells. However, several recent studies revealed functional TLR expression also on tumor cells. Their expression is a two-sided coin for tumor cells. Not only tumor-promoting effects of TLR ligands are described but also direct oncopathic and immunostimulatory effects. To clarify TLRs' role in colorectal cancer (CRC), we tested the impact of the TLR ligands LPS, Poly I:C, R848, and Taxol on primary human CRC cell lines (HROC40, HROC60, and HROC69) in vitro and in vivo (CT26). Taxol, not only a potent tumor-apoptosis-inducing, but also TLR4-activating chemotherapeutic compound, inhibited growth and viability of all cell lines, whereas the remaining TLR ligands had only marginal effects (R848 > LPS > Poly I:C). Combinations of the substances here did not improve the results, whereas antitumoral effects were dramatically boosted when human lymphocytes were added. Here, combining the TLR ligands often diminished antitumoral effects. In vivo, best tumor growth control was achieved by the combination of Taxol and R848. However, when combined with LPS, Taxol accelerated tumor growth. These data generally prove the potential of TLR ligands to control tumor growth and activate immune cells, but they also demonstrate the importance of choosing the right combinations.
Analysis of the angulin family consisting of LSR, ILDR1 and ILDR2: tricellulin recruitment, epithelial barrier function and implication in deafness pathogenesis (2012)

Tricellular tight junctions (tTJs) seal the extracellular space at tricellular contacts (TCs), where the corners of three epithelial cells meet. To date, the transmembrane proteins tricellulin and lipolysis-stimulated lipoprotein receptor (LSR) are known to be molecular components of tTJs. LSR recruits tricellulin to tTJs, and both proteins are required for the full barrier function of epithelial cellular sheets. In the present study, we show that two LSR-related proteins, immunoglobulin-like domain-containing receptor (ILDR) 1 and ILDR2, are also localized at TCs and recruit tricellulin. At least one of LSR, ILDR1 and ILDR2 was expressed in most of the epithelial tissues in mice. The expressions of LSR, ILDR1 and ILDR2 were generally complementary to each other, although LSR and ILDR1 were co-expressed in some epithelia. ILDR1 was required for the establishment of a strong barrier of the epithelium, similar to LSR, when introduced into cultured epithelial cells, whereas ILDR2 provided a much weaker barrier. We further analyzed human ILDR1, mutations in which cause a familial deafness, DFNB42, and found that most DFNB42-associated ILDR1 mutant proteins were defective in recruitment of tricellulin. We also found that tricellulin mutant proteins associated with another familial deafness, DFNB49, were not recruited to TCs by ILDR1. These findings show the heterogeneity of the molecular organization of tTJs in terms of the content of LSR, ILDR1 or ILDR2, and suggest that ILDR1-mediated recruitment of tricellulin to TCs is required for hearing. Given their common localization at epithelial cell corners and recruitment of tricellulin, we propose to designate LSR, ILDR1 and ILDR2 as angulin family proteins.
Data acquisition and cost-effective predictive modeling (2007)

Electronic commerce is revolutionizing the way we think about data modeling, by making it possible to integrate the processes of (costly) data acquisition and model induction. The opportunity for improving modeling through costly data acquisition presents itself for a diverse set of electronic commerce modeling tasks, from personalization to customer lifetime value modeling; we illustrate with the running example of choosing offers to display to web-site visitors, which captures important aspects in a familiar setting. Considering data acquisition costs explicitly can allow the building of predictive models at significantly lower costs, and a modeler may be able to improve performance via new sources of information that previously were too expensive to consider. However, existing techniques for integrating modeling and data acquisition cannot deal with the rich environment that electronic commerce presents. We discuss several possible data acquisition settings, the challenges involved in the integration with modeling, and various research areas that may supply parts of an ultimate solution. We also present and demonstrate briefly a unified framework within which one can integrate acquisitions of different types, with any cost structure and any predictive modeling objective.
Unified Confidence Bounds for Censored Weibull Data With Covariates (2002)

Data from a 2-parameter Weibull distribution (with covariates) is traditionally analyzed on a logarithmic scale to take advantage of the resulting location-scale nature of the transformed data Y1,...,Yn. Quantities of interest are the regression parameters β,the scale parameter σ,the p-quantile yp(u) =u ′ β + σ log( − log(1 − p)),the tail probability p(y|u) =P (Y ≤ y|u) =1−exp( − exp((y −u ′ β)/σ))),and the failure rate function r(y,u) =[exp((y − u ′ β)/σ)]/σ for a given p-dimensional covariate vector u. Usually such data is partially obscured by some sort of censoring which (aside from the case of type II censoring) does not allow exact confidence bounds for these quantities. Thus one resorts to large sample approximations from maximum likelihood theory. Unfortunately this has led to different types of approximations depending on the quantity of interest,see Meeker and Escobar (1998). For example,confidence bounds for yp(u) andp(y|u) arenotalways monotone in p or y and thus are not constructed as inverses to each other as would be the case when exact methods are possible. Also,one usually invokes approximate normality of the m.l.e.’s ̂yp(u) andlog(̂σ) (the latter for producing better results) with the apparent inconsistency that ̂yp(0) =̂σ log( − log(1 − p)) invokes the inferior approximation for ̂σ. We resolve these problems by invoking either the approximate (p + 1)-variate normal approximation for ( ( ̂ β − β)/̂σ,log(̂σ)) or its bootstrapped approximating distribution. This resolves all the above problems in a clean fashion and in the bootstrap case it leads back to the approach by