Extended Test Set Research Articles

Hybrid Pass/Fail and Full Fail Data for Reduced Fail Data Volume

Fail data is collected by a tester from faulty units to allow defect diagnosis to be carried out. The fail data describes the full output response of the unit. The volume of fail data that faulty units produce during volume diagnosis can exceed the tester memory capacity. Existing solutions stop the fail data collection for a faulty unit after sufficient fail data has been collected or modify the test set to produce less fail data. This article considers the format for storing fail data on the tester. This article suggests a hybrid approach, where full output responses are stored for some tests, and only pass/fail information is stored for the remaining tests. This article describes procedures based on diagnostic fault simulation to determine a subset of tests for which full output responses are needed and for adding new tests such that fewer tests in the extended test set would require full output responses. The experimental results for benchmark circuits demonstrate the reductions in fail data volume that can be achieved by a hybrid approach.

Automated clear cell renal carcinoma grade classification with prognostic significance.

We developed an automated 2-tiered Fuhrman’s grading system for clear cell renal cell carcinoma (ccRCC). Whole slide images (WSI) and clinical data were retrieved for 395 The Cancer Genome Atlas (TCGA) ccRCC cases. Pathologist 1 reviewed and selected regions of interests (ROIs). Nuclear segmentation was performed. Quantitative morphological, intensity, and texture features (n = 72) were extracted. Features associated with grade were identified by constructing a Lasso model using data from cases with concordant 2-tiered Fuhrman’s grades between TCGA and Pathologist 1 (training set n = 235; held-out test set n = 42). Discordant cases (n = 118) were additionally reviewed by Pathologist 2. Cox proportional hazard model evaluated the prognostic efficacy of the predicted grades in an extended test set which was created by combining the test set and discordant cases (n = 160). The Lasso model consisted of 26 features and predicted grade with 84.6% sensitivity and 81.3% specificity in the test set. In the extended test set, predicted grade was significantly associated with overall survival after adjusting for age and gender (Hazard Ratio 2.05; 95% CI 1.21–3.47); manual grades were not prognostic. Future work can adapt our computational system to predict WHO/ISUP grades, and validating this system on other ccRCC cohorts.

A heuristic estimate of molecular correlation energies using pair correlation energies of localized molecular orbitals

The biggest problem for the application of wavefunction-based quantum chemical ab initio methods is the calculation of the electronic correlation energy. Advanced methods such as coupled-cluster theory using iterative single and double excitations as well as perturbative triple excitations [CCSD(T)] are able to achieve an accuracy of ± 5 kJ/mol (‘chemical accuracy’) for small molecular systems, but become too time-consuming for routine applications to larger systems containing twenty or more heavy atoms. We propose a heuristic approach for a rapid estimate of correlation energies for larger molecules, based on parametrized pair correlation energies (PCEs) for localized molecular orbitals. Such PCEs were calculated for a training set of 112 small- and medium-sized neutral molecules from the G2/97 data set, using an approximate coupled-cluster method with single and double excitations (CCSD) and a basis set of quadruple zeta quality (def2-QZVP). The PCEs were then fitted to appropriate functional forms, taking into account the properties of the localized orbitals: type (lone pair, single bond, multiple bond), bond length, hybridization of the atoms involved in the bond, spatial extent, and distance between two orbitals. The ab initio results for the total correlation energies of the molecules in the training set could be reproduced within 1%. For most of the molecules in an extended test set containing also molecular ions a slightly lower accuracy of about 1% to 3% could be obtained.

Functional Broadside Tests for Multistep Defect Diagnosis

In a two-step defect diagnosis process, a fault detection test set is used for initial diagnosis to compute an initial set of candidate faults. When the initial set is large, diagnostic tests are generated based on the candidate faults in the set, and the set is refined based on the extended test set. This paper investigates the ability of functional broadside tests to serve as diagnostic tests for refining initial sets of candidate faults. The paper discusses the advantages of using functional broadside tests for this purpose. These advantages are related to the fact that the tests create functional operation conditions, and thus avoid nonfunctional effects that may make diagnosis less accurate. It also describes a multistep defect diagnosis process that uses functional broadside tests. Experimental results are presented to show the extent to which functional broadside tests can reduce initial sets of candidate faults.

TTCN-3 in Conformance Testing of RRC Connection Reestablishment

In order to verify the protocol conformance of radio resource control (RRC) connection reestablishment in LTE system, a new testing method is designed by implementing testing and test control notation version 3(TTCN-3) abstract test suit. Furthermore, the test suit is operated on the TTworkbench developed by German Testing tech. It also generates graphical presentation format (GFT) to check the protocol conformance of RRC functions. The scheme has been successfully applied in the project development of TTCN extended test set instrument in LTE system.

A 96-well flow cytometric screening assay for detecting in vitro phospholipidosis-induction in the drug discovery phase

Drug-induced phospholipidosis is caused by lysosomal accumulation of the drug, resulting in the disturbance of phospholipid degradation and a consequent excessive phospholipid accumulation. Depending on the type and number of tissues affected, phospholipidosis occurrence in test animals can raise safety issues, which may be critical for the risk assessment. Safety profiling of potential phospholipidosis-inducing drugs in the drug discovery phase can predict these late obstructions of drug development. For this purpose, a flow cytometric assay based on the difference in fluorescent phospholipid accumulation in a human monocyte cell line was initially established. Modifying the assay studying degradation of the fluorescent phospholipids instead of accumulation drastically improved sensitivity. By testing various phospholipidosis-inducers and negative compounds, it was found that the assay could detect the occurrence of phospholipidosis by a 2-fold difference in fluorescence compared to control cells, demonstrating the superior sensitivity of the novel approach. Implementation of a higher throughput 96-well flow cytometric set up did not affect the sensitivity of detection or the reproducibility of the assay. Based on an extended test set of reference compounds a profiling approach was introduced, by which we show we can rank our drug candidates according to their phospholipidosis-inducing potential.

Relativistic effects determined using the Douglas–Kroll contracted basis sets and correlation consistent basis sets with small-core relativistic pseudopotentials

The coupled cluster approximation with single, double, and quasiperturbative triple excitations [CCSD(T)] was used in combination with the Douglas-Kroll contracted correlation consistent basis sets [cc-pVnZ-DK, where n = D(2), T(3), Q(4), and 5] and small-core relativistic pseudopotentials (PP) with correlation consistent polarized valence basis sets (cc-pVnZ-PP and aug-cc-pVnZ-PP) to investigate the impact of scalar relativistic corrections on energetic and structural properties of small molecules containing third-row (Ga-Kr) atoms. These molecules were taken from the Gaussian-2 extended test set for third-row atoms. Atomization energies, ionization energies, electron affinities, and proton affinities for molecules in the test set were determined and compared with nonrelativistic results which were obtained in a recent study in which the standard and augmented correlation consistent basis sets were used in combination with CCSD(T). Several schemes were used to extrapolate the energies to the complete basis set limit.

Bond Additivity Corrections for G3B3 and G3MP2B3 Quantum Chemistry Methods

We have developed bond additivity correction (BAC) procedures for the G3-based quantum chemistry methods, G3B3 and G3MP2B3. We denote these procedures as BAC-G3B3 and BAC-G3MP2B3. We apply the procedures to compounds containing atoms from the first three rows of the periodic table including H, B, C, N, O, F, Al, Si, P, S, and Cl atoms. The BAC procedure applies atomic, molecular, and pairwise bond corrections to theoretical heats of formation of molecules. The BAC-G3B3 and BAC-G3MP2B3 procedures require parameters for each atom type but not for each bond type. These parameters have been obtained by minimizing the error between the BAC-G3B3 and BAC-G3MP2B3 predictions and the experimental heats of formation for a 155 molecule reference set, containing open and closed shell molecules representing various functional groups, multireference configurations, isomers, and degrees of saturation. As compared to former BAC-MP4, BAC-G2, and BAC-hybrid methods, BAC-G3B3 provides better agreement with experiment for a wider range of chemical moieties, including highly oxidized species involving SOx s, NOx s, POx s, and halogens. The BAC-G3B3 and BAC-G3MP2B3 procedures are applied to an extended test suite involving 273 compounds. We assess the overall quality of BAC-G3B3 with experiments and other theoretical approaches. For the reference set, the average error for the BAC-G3B3 results is 0.44 kcal/mol as compared to 0.82 kcal/mol for the raw G3B3. For the extended test set, the average error for the BAC-G3B3 results is 0.91 kcal/mol as compared to 1.38 kcal/mol for the raw G3B3. As compared to the other BAC procedures, the improved predictive capability of BAC-G3B3 and BAC-G3MP2B3 procedures is, to a large extent, due to the improved quality of G3-based methods resulting in much smaller BAC correction terms.

Accurate energetics of small molecules containing third-row atoms Ga-Kr: a comparison of advanced ab initio and density functional theory.

Advanced ab initio [coupled cluster theory through quasiperturbative triple excitations (CCSD(T))] and density functional (B3LYP) computational chemistry approaches were used in combination with the standard and augmented correlation consistent polarized valence basis sets [cc-pVnZ and aug-cc-pVnZ, where n=D(2), T(3), Q(4), and 5] to investigate the energetic and structural properties of small molecules containing third-row (Ga-Kr) atoms. These molecules were taken from the Gaussian-2 (G2) extended test set for third-row atoms. Several different schemes were used to extrapolate the calculated energies to the complete basis set (CBS) limit for CCSD(T) and the Kohn-Sham (KS) limit for B3LYP. Zero point energy and spin orbital corrections were included in the results. Overall, CCSD(T) atomization energies, ionization energies, proton affinities, and electron affinities are in good agreement with experiment, within 1.1 kcal/mol when the CBS limit has been determined using a series of two basis sets of at least triple zeta quality. For B3LYP, the overall mean absolute deviation from experiment for the three properties and the series of molecules is more significant at the KS limit, within 2.3 and 2.6 kcal/mol for the cc-pVnZ and aug-cc-pVnZ basis set series, respectively.

The Characterization of Humidity Sensitivity of Ink-jet Prints

Diffusion of dyes in ink-jet prints under high humidity is one of the major causes of print degradation. There is, however, no agreed method how to characterize humidity sensitivity and how to predict failure from accelerated test. The study comprises humidity degradation tests of various ink sets on polymer, porous and nanoporous IJ media. It compares different test patterns, pre-conditioning methods, test conditions, and metrics for humidity. From the extended test set, conclusion could be drawn about the media factors that are most important for humidity degradation, namely the type of colorants, the class of media or the ink vehicle. Some recommendations about test patterns and test methods are discussed.

State and Fault Information for Compaction-Based Test Generation

We present a new test generation procedure for sequential circuits using newly traversed state and newly detected fault information obtained between successive iterations of vector compaction. Two types of techniques are considered. One is based on the new states a sequential circuit is driven into, and the other is based on the new faults that are detected between consecutive iterations of vector compaction. These data modify an otherwise random selection of vectors, to bias vector sequences that cause the circuit to reach new states, and cause previously undetected faults to be detected. The biased vectors, when used to extend the compacted test set, provide a more intelligent selection of vectors. The extended test set is then compacted. Repeated applications of state and fault analysis, vector generation and compaction produce significantly high fault coverage using relatively small computing resources. We obtained improvements in terms of higher fault coverage, fewer vectors for the same coverage, or smaller number of iterations and time required, consistently for several benchmark circuits.

Additive NDDO-based atomic polarizability model

A method for the calculation of atomic polarizabilities based on the variational method for the calculation of the electronic polarizability in terms of the neglect of differential diatomic overlap (NDDO) approximation is presented. The resulting atomic polarizability tensors are additive. Calculation of an extended test set of 294 molecules gave an root-mean-square (rms) deviation between calculated and experimental mean polarizabilities of 0.68 Å3 (AM1). Comparison with the empirical atomic hybrid polarizability (AHP) parameters as defined by Miller gave good agreement. © 2000 John Wiley & Sons, Inc. Int J Quant Chem 77: 473–497, 2000